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3-pentanone

Chemical Structure

General Material Information

Preferred name 3-pentanone
Trivial Name Ethyl ketone
Short Description diethyl ketone
Formula C5 H10 O
CAS Number 96-22-0
Flavis Number 7.084
ECHA Number 202-490-3
FDA UNII 9SLZ98M9NK
Nikkaji Number J4.718J
Beilstein Number 0635749
MDL MFCD00009320
COE Number 2350
xLogP3-AA 0.90 (est)
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • dek
  • diethyl cetone
  • diethyl ketone
  • diethylketone
  • dimethyl acetone
  • dimethylacetone
  • metacetone
  • methacetone
  • methylbutanone
  • pentan-3-one
  • 3-pentanone
  • Ethyl ketone
  • Propione
  • ZED 2EK
  • NSC 8653

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Literature & References

pentan-3-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:96-22-0
Pubchem (cid):7288
Pubchem (sid):134972373
Flavornet:96-22-0
Pherobase:View
Publications by PubMed
Large-scale green chemical synthesis of adjacent quaternary chiral centers by continuous flow photodecarbonylation of aqueous suspensions of nanocrystalline ketones.
Solvent-dependent substrate reduction by {Sm[N(SiMe3)2]2(THF)2}. An alternative approach for accelerating the rate of substrate reduction by Sm(II).
Volatile organic compounds during inflammation and sepsis in rats: a potential breath test using ion-mobility spectrometry.
Prediction of the air-water partition coefficient for perfluoro-2-methyl-3-pentanone using high-level Gaussian-4 composite theoretical methods.
Reaction rate constants of H-abstraction by OH from large ketones: measurements and site-specific rate rules.
Olfactory sensitivity and odor structure-activity relationships for aliphatic ketones in CD-1 mice.
Low-temperature combustion chemistry of novel biofuels: resonance-stabilized QOOH in the oxidation of diethyl ketone.
Cholinesterase activity on Echinogammarus meridionalis (Pinkster) and Atyaephyra desmarestii (Millet): characterisation and in vivo effects of copper and zinc.
Determination of acetone in saliva by reversed-phase liquid chromatography with fluorescence detection and the monitoring of diabetes mellitus patients with ketoacidosis.
Chemometric discrimination of different tomato cultivars based on their volatile fingerprint in relation to lycopene and total phenolics content.
Ion-induced reorientation and distribution of pentanone in the air-water boundary layer.
Development of semiochemical attractants for monitoring and controlling Chlorophorus caragana.
Characterization of cholinesterases in the damselfish Sergeant major (Abudefduf saxatilis).
Production of bioactive volatiles by different Burkholderia ambifaria strains.
Involvement of methionine salvage pathway genes of Saccharomyces cerevisiae in the production of precursor compounds of dimethyl trisulfide (DMTS).
Ultrasonic Studies on Molecular Interactions in Binary Mixtures of N-Methyl Aniline with Methyl Isobutylketone, +3-Pentanone, and +Cycloalkanones at 303.15 K.
Development of a method for extraction and assay of human erythrocyte acetylcholinesterase and pesticide inhibition.
Rapid "breath-print" of liver cirrhosis by proton transfer reaction time-of-flight mass spectrometry. A pilot study.
Comment on "Atmospheric degradation of perfluoro-2-methyl-3-pentanone: photolysis, hydrolysis, and hydration".
Response to Comment on "Atmospheric degradation of perfluoro-2-methyl-3-pentanone: photolysis, hydrolysis, and hydration".
Purification and studies on characteristics of cholinesterases from Daphnia magna.
High catalytic activity of silicalite in gas-phase ketonisation of propionic acid.
Identification of the odour-active cyclic diketone cis-2,6-dimethyl-1,4-cyclohexanedione in roasted Arabica coffee brew.
Electrophysiological responses of the olfactory receptors of the tick Amblyomma cajennense (Acari: Ixodidae) to host-related and tick pheromone-related synthetic compounds.
Novel fragments of clavulanate observed in the structure of the class A β-lactamase from Bacillus licheniformis BS3.
Bioremoval of diethylketone by the synergistic combination of microorganisms and clays: uptake, removal and kinetic studies.
Diversity-oriented synthesis of chromenes via metal-free domino reactions from ketones and phenols.
Thermochemistry and bond dissociation energies of ketones.
Ru (III) catalyzed oxidation of aliphatic ketones by N-bromosuccinimide in aqueous acetic acid: a kinetic study.
High-temperature measurements of the reactions of OH with a series of ketones: acetone, 2-butanone, 3-pentanone, and 2-pentanone.
Dielectric behavior of some small ketones as ideal polar molecules.
Odor compounds from different sources of landfill: characterization and source identification.
Cellular accumulation and DNA interaction studies of cytotoxic trans-platinum anticancer compounds.
Assessment of the aroma impact of major odor-active thiols in pan-roasted white sesame seeds by calculation of odor activity values.
The thiopyran route to polypropionates.
Kinetics of biodegradation of diethylketone by Arthrobacter viscosus.
The molecular conformation of pentan-3-one studied in cholic acid pentan-3-one solvate.
Structure elucidation and synthesis of dioxolanes emitted by two Triatoma species (Hemiptera: Reduviidae).
Multiple inhibitory actions of lidocaine on Torpedo nicotinic acetylcholine receptors transplanted to Xenopus oocytes.
Atmospheric degradation of perfluoro-2-methyl-3-pentanone: photolysis, hydrolysis and hydration.
The rotational spectrum of diethyl ketone.
The effect of clay treatment on remediation of diethylketone contaminated wastewater: uptake, equilibrium and kinetic studies.
Expression and characterization of recombinant Locusta migratoria manilensis acetylcholinesterase 1 in Pichia pastoris.
Experimental and chemical kinetic modeling study of 3-pentanone oxidation.
Aryl ketone synthesis via tandem orthoplatinated triarylphosphite-catalyzed addition reactions of arylboronic acids with aldehydes followed by oxidation.
Matrix effects on the photocatalytic oxidation of alcohols by [nBu4N]4W10O32 incorporated into sol-gel silica.
Anticonvulsant effects of methyl ethyl ketone and diethyl ketone in several types of mouse seizure models.
Contribution of 1,2-dihydroxy-5-(methylsulfinyl)pentan-3-one (DMTS-P1) to the formation of dimethyl trisulfide (DMTS) during the storage of Japanese sake.
Numerical analysis of diameter influence on droplet fluorescence.
Piperidine-4-methanthiol ester derivatives for a selective acetylcholinesterase assay.
Behavioral and electrophysiological responses of Triatoma brasiliensis males to volatiles produced in the metasternal glands of females.
3,3,6,6,9,9-Hexaethyl-1,2,4,5,7,8-hexaoxacyclononane at 296 K.
Products and mechanism of the reaction of chlorine atoms with 3-pentanone in 700-950 torr of N(2)/O(2) diluent at 297-515 K.
Thermodynamic properties of hyperbranched polymer, Boltorn U3000, using inverse gas chromatography.
Methyl ethyl ketone blocks status epilepticus induced by lithium-pilocarpine in rats.
Photolysis of an asymmetrically substituted diazene in solution and in the crystalline state.
2-Bromo-4,4-dimethyl-1-(2,4,5-trimethoxy-phen-yl)pentan-3-one.
Screening and identification of precursor compounds of dimethyl trisulfide (DMTS) in Japanese sake.
Modulated growth of nanoparticles. Application for sensing nerve gases.
The role of noninnocent solvent molecules in organocatalyzed asymmetric Michael addition reactions.
The use of headspace solid phase microextraction for the characterization of volatile compounds in olive oil matrices.
Atmospheric chemistry of 3-pentanol: kinetics, mechanisms, and products of Cl atom and OH radical initiated oxidation in the presence and absence of NOX.
Charge separation distance for flexible donor-bridge-acceptor systems after electron-transfer quenching.
Isolation, structure elucidation, and synthesis of cytotoxic tryptanthrin analogues from Phaius mishmensis.
Facile and selective aliphatic C-H bond activation at ambient temperatures initiated by Cp*W(NO)(CH2CMe3)(eta(3)-CH2CHCHMe).
Unexpected solid-state photochemistry of an alpha-thiophenyl-alpha'-thiophenyl-S,S-dioxo-substituted ketone.
Rate constants for the reaction of cl with a series of C4 to C6 ketones using the relative rate method.
Photodecarbonylation of 1,3-dithiophenyl propanone: using nanocrystals to overcome the filtering effect of highly absorbing trace impurities.
Fluorescence spectrum of 2-trifluoromethyl-1,1,1,2,4,4,5,5,5-nonafluoro-3-pentanone.
Highly stereoselective TiCl4-mediated aldol reactions from (S)-2-benzyloxy-3-pentanone.
Solvent as a competitive inhibitor for Candida antarctica lipase B.
Modeling hydration mechanisms of enzymes in nonpolar and polar organic solvents.
First direct detection of 2,3-dimethyl-2,3-diphenylcyclopropanone.
Asymmetric total synthesis of (-)-pironetin employing the SAMP/RAMP hydrazone methodology.
Synthesis, mechanism of formation, and dynamics of a highly fluorinated methylenecyclobutene.
Conformational and configurational dynamics of a highly fluorinated hydrazone.
Pulsed laser photolysis vacuum UV laser-induced fluorescence kinetic study of the gas-phase reactions of Cl(2P3/2) atoms with C3-C6 ketones.
Effect of pH on the Maillard reaction of [13C5]xylose, cysteine, and thiamin.
Density functional investigation of the interaction of acetone with small gold clusters.
Quaternary ammonium anticholinesterases have different effects on nicotinic receptors: is there a single binding site?
Selective sp3 C-H activation of ketones at the beta position by Ir(I). Origin of regioselectivity and water effect.
Chemical communication in Chagas disease vectors. Source, identity, and potential function of volatiles released by the metasternal and Brindley's glands of Triatoma infestans adults.
Laser-induced fluorescence of ketones at elevated temperatures for pressures up to 20 bars by using a 248 nm excitation laser wavelength: experiments and model improvements.
DBU catalyzed cyanoacylation of ketones with acyl cyanides.
Theoretical and experimental studies on the Baeyer-Villiger oxidation of ketones and the effect of alpha-halo substituents.
Effect of high-pressure treatment and a bacteriocin-producing lactic culture on the odor and aroma of hispánico cheese: correlation of volatile compounds and sensory analysis.
Characterization of volatile compounds in chilled cod (Gadus morhua) fillets by gas chromatography and detection of quality indicators by an electronic nose.
Three new podocarpane-type diterpenoids from callus of Securinega suffruticosa.
Regioselective haloaromatization of 1,2-bis(ethynyl)benzene via halogen acids and PtCl2. Platinum-catalyzed 6-pi electrocyclization of 1,2-bis(1'-haloethenyl)benzene intermediates.
Photolysis study of perfluoro-2-methyl-3-pentanone under natural sunlight conditions.
Synthesis of 2H-1,2-benzothiazine 1,1-dioxides via heteroannulation reactions of 2-iodobenzenesulfonamide with ketone enolates under S(RN)1 conditions.
Degradation characteristics of methyl ethyl ketone by Pseudomonas sp. KT-3 in liquid culture and biofilter.
Photolysis of methylethyl, diethyl and methylvinyl ketones and their role in the atmospheric HOx budget.
A study of volatile organic compounds evolved from the decaying human body.
Highly stereoselective aldol reaction based on titanium enolates from (S)-1-benzyloxy-2-methyl-3-pentanone.
Modified determination method of total bromine in agricultural products by gas chromatography.
The acetylcholinesterase inhibitor BW284c51 is a potent blocker of Torpedo nicotinic AchRs incorporated into the Xenopus oocyte membrane.
Strategy for the synthesis of polymeric supports with hydrazone linkers for solid-phase alkylation of ketones and aldehydes.
In vivo evaluation of three biomarkers in the mosquitofish (Gambusia yucatana) exposed to pesticides.
Rayleigh-calibrated fluorescence quantum yield measurements of acetone and 3-pentanone.
Regulation of nicotinic acetylcholine receptor channel function by acetylcholinesterase inhibitors in rat hippocampal CA1 interneurons.
Olfactory sensitivity for aliphatic ketones in squirrel monkeys and pigtail macaques.
Conductor compounds of phenylpentane in Mycoleptodonoides aitchisonii mycelium enhance the release of dopamine from rat brain striatum slices.
Syn-anti isomerization of aldols by enolization.
Carboxylic acid clathrate hosts of Diels-Alder adducts of phencyclone and 2-alkenoic acids. Role of bidentate C-H ... O hydrogen bonds between the phenanthrene and carbonyl groups in host-host networks.
Formation of aroma compounds from ribose and cysteine during the Maillard reaction.
Determination of acetone, 2-butanone, diethyl ketone and BTX using HSCC-UV-IMS.
Diastereoselective nucleophilic substitution reactions of oxasilacyclopentane acetals: application of the "inside attack" model for reactions of five-membered ring oxocarbenium ions.
Probing the active site of pea seedlings amine oxidase with optical antipodes of sedamine alkaloids.
Detection and quantification of ochratoxin A and deoxynivalenol in barley grains by GC-MS and electronic nose.
Synthesis of ketonylplatinum(III) dinuclear complexes: observation of the competitive radical vs electrophilic displacement in Pt(III)-promoted C-H bond activation of ketones.
Wet effluent diffusion denuder technique and determination of volatile organic compounds in air. I. Oxo compounds (alcohols and ketones).
A study of light-induced proton transfer from gas phase (radical) cations to reference bases. Bracketing of proton transfer from excited ions and associated reaction kinetics.
Soluble and membrane-bound acetylcholinesterases in Mytilus galloprovincialis (Pelecypoda: Filibranchia) from the northern Adriatic sea.
Genesis of Drosophila ADH: the shaping of the enzymatic activity from a SDR ancestor.
Syntheses of ketonated disulfide-bridged diruthenium complexes via C-H bond activation and C-S bond formation.
A new passive sampler for regulated workplace ketones.
Generation of odorous acyloins by yeast pyruvate decarboxylases and their occurrence in sherry and soy sauce.
Regulated workplace ketones and their interference in the PFBHA method for aldehydes.
Role of solid-phase microextraction in the identification of highly volatile pheromones of two Rhinoceros beetles Scapanes australis and Strategus aloeus (Coleoptera, Scarabaeidae, Dynastinae).
2,4,4-trimethyl-2-phenyl-3-pentanone oxime
Evidence for a noncholinergic function of acetylcholinesterase during development of chicken retina as shown by fasciculin.
Characterization of cholinesterase from guppy (Poecilia reticulata) muscle and its in vitro inhibition by environmental contaminants.
Stimulation of tolbutamide hydroxylation by acetone and acetonitrile in human liver microsomes and in a cytochrome P-450 2C9-reconstituted system.
The catalytic triad in Drosophila alcohol dehydrogenase: pH, temperature and molecular modelling studies.
Aroma chemicals isolated and identified from leaves of Aloe arborescens Mill. Var. Natalensis Berger.
Study of Adsorption Equilibria in the Systems Ternary Liquid Mixtures-Modified Activated Carbons.
The catalytic reaction and inhibition mechanism of Drosophila alcohol dehydrogenase: observation of an enzyme-bound NAD-ketone adduct at 1.4 A resolution by X-ray crystallography.
Evidence for an inducible nucleotide-dependent acetone carboxylase in Rhodococcus rhodochrous B276.
Comparison of kinetic properties of amine oxidases from sainfoin and lentil and immunochemical characterization of copper/quinoprotein amine oxidases.
Nippostrongylus brasiliensis: characterisation of a somatic amphiphilic acetylcholinesterase with properties distinct from the secreted enzymes.
Identification limits for volatile organic compounds in the blood by purge-and-trap GC-FTIR.
Expression of a single dimeric membrane-bound acetylcholinesterase in Parascaris equorum.
Purification and properties of monomeric (G1) forms of acetylcholinesterase secreted by Nippostrongylus brasiliensis.
Acetylcholinesterase promotes regeneration of neurites in cultured adult neurons of Aplysia.
Overlapping drug interaction sites of human butyrylcholinesterase dissected by site-directed mutagenesis.
Acetylcholinesterase inhibitor treatment delays recovery from axotomy in cultured dorsal root ganglion neurons.
Acetylcholinesterase in Dendrobaena veneta (Oligochaeta: Opisthopora) is present with forms sensitive and insensitive to phosphatidylinositol phospholipase C. Biochemical characterization and histochemical localization in the nervous system.
Comparison of kinetic properties between plant and fungal amine oxidases.
Histochemical demonstration of acetylcholinesterase activity in human Meibomian glands.
Characterization of monoclonal antibodies that strongly inhibit Electrophorus electricus acetylcholinesterase.
Ketone EC50 values in the Microtox test.
Retardation of neuritic outgrowth and cytoskeletal changes accompany acetylcholinesterase inhibitor treatment in cultured rat dorsal root ganglion neurons.
A fiber optic sensor for water in organic solvents based on polymer swelling.
Differential effects of "peripheral" site ligands on Torpedo and chicken acetylcholinesterase.
The molecular forms of acetylcholinesterase from Necator americanus (Nematoda), a hookworm parasite of the human intestine.
Differential antagonism of bremazocine- and U69,593-induced antinociception by quadazocine: further functional evidence of opioid kappa receptor multiplicity in the mouse.
Activity of cholinesterases in the Japanese quail embryo. Effects of dichlorphos on the embryonic development.
Effect of thermodynamic water activity on amino-acid ester synthesis catalyzed by agarose-chymotrypsin in 3-pentanone.
Formation of the 3-Pentanone ion from ionized propyl propanoate through Ion-Neutral complexes.
Metabolism of sodium nifurstyrenate, a veterinary antimicrobial nitrofuran, in animals and fish.
Reaction rate with suspended lipase catalyst shows similar dependence on water activity in different organic solvents.
Substrate specificity and stereoselectivity of horse liver alcohol dehydrogenase. Kinetic evaluation of binding and activation parameters controlling the catalytic cycles of unbranched, acyclic secondary alcohols and ketones as substrates of the native and active-site-specific Co(II)-substituted enzyme.
Pharmacological characterization of nalorphine, a kappa 3 analgesic.
Comparison of coupling subsites and inhibition effects of piperidine alkaloids and aminoketones on plant amine oxidases.
Gas chromatographic determination of total iodine in foods.
Structure of a protected C(1)-C(10) subunit of C(2)-epi-erythronolides A and B.
Vascular cholinesterases and choline uptake in isolated rat forebrain microvessels: a possible link.
Seed-germination inhibition by volatile alcohols and other compounds associated withAmaranthus palmeri residues.
AF-DX 116: a selective antagonist of the slow inhibitory postsynaptic potential and methacholine-induced hyperpolarization in superior cervical ganglion of the rabbit.
Modified properties of serum cholinesterases in primary carcinomas.
The metabolic fate of stiripentol in man.
Opioid ligand binding sites in the spinal cord of the guinea-pig.
Discriminative stimulus effects of the opioid antagonist diprenorphine in the squirrel monkey.
Acetylcholinesterase and pseudocholinesterases in developing chick adrenal.
Genetic change may be caused by interference with protein-protein interactions.
Acetone, methyl ethyl ketone, ethyl acetate, acetonitrile and other polar aprotic solvents are strong inducers of aneuploidy in Saccharomyces cerevisiae.
Aprotic polar solvents inducing chromosomal malsegregation in yeast interfere with the assembly of porcine brain tubulin in vitro.
Separation and characterization of the aldehydic products of lipid peroxidation stimulated by carbon tetrachloride or ADP-iron in isolated rat hepatocytes and rat liver microsomal suspensions.
Acetylcholinesterase from fetal bovine serum. Purification and characterization of soluble G4 enzyme.
A human acetylcholinesterase gene identified by homology to the Ace region of Drosophila.
Chemical modification of acetylcholinesterase from eel and basal ganglia: effect on the acetylcholinesterase and aryl acylamidase activities.
[Contribution to the problem of acute methanol poisoning].
Serotonin-sensitive aryl acylamidase activity of platelet acetylcholinesterase.
Photoacousttc spectroscopy of vibrational overtones in polyatomic molecules.
Inactivation of ribulosebisphosphate carboxylase/oxygenase from Rhodospirillum rubrum and spinach with the new affinity label 2-bromo-1,5-dihydroxy-3-pentanone 1,5-bisphosphate.
Cholinesterase in the parasitic nematode, Stephanurus dentatus. Characterization and sex dependence of a secretory cholinesterase.
Abolition of the apparent deficiency of 2-aminophenol glucuronidation in perfused Gunn rat liver by pentan-3-one.
Electron spin resonance spin-label studies of mouse olfactory epithelium.
The identification of 3-keto-2-methylvaleric acid and 3-hydroxy-2-methylvaleric acid in a patient with propionic acidemia.
Behavior genetics of olfactory responses in Drosophila. II. An odorant-specific variant in a natural population of Drosophila melanogaster.
The adsorption of volatile aroma constituents by foods. VIII. Adsorption of volatile carbonyl compounds by amino acids.
Purification of acetylcholinesterase from house fly brain by affinity chromatography.
Cycloalkanones. 7. Hypocholesterolemic activity of aliphatic compounds related to 2,8-dibenzylcyclooctanone.
[Derivatives of 1,5-bis-(3,4-methylendioxyphenyl)-n.pentane myolytic activity].
Analysis of the forms of acetylcholinesterase from adult mouse brain.
The rabbit rectococcygeus: a ganglion-free parasympathetically innervated preparation.
Augmentation of atropine resistant spasms in plexus-containing guinea-pig longitudinal muscle by ganglionic action of the acetylcholinesterase inhibitor BW 284C51 (1:5 bis (p-allyl-dimethylammonium phenyl)-pentan-3-one dibromide).
Stimulation of intestinal nervous elements by angiotensin.
The photochemical decomposition of diethyl ketone at 3130 A.

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):Search
FooDB:FDB004343
Export Tariff Code:2914.19.0000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
Formulations/Preparations:
grade: technical

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 86.133903503418
Specific gravity @ 25 °C
Pounds per Gallon 6.757 to 6.807
Refractive Index 1.389 to 1.395 @ 20 °C
Melting Point -42 to -40°C @ 760 mm Hg
Vapor Pressure 35.771 mmHg @ 25 °C
Vapor Density 3
Flash Point TCC Value 11.67 °C TCC
logP (o/w) 0.99
Solubility
alcohol Yes
water, 1.814e+004 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Ethereal
ethereal, acetone
General comment At 0.10 % in propylene glycol. ethereal acetone

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 11 - Highly flammable.
R 37 - Irritating to respiratory system.
R 66 - Repeated exposure may cause skin dryness or cracking.
R 67 - Vapours may cause frowsiness and dizziness.
S 02 - Keep out of the reach of children.
S 09 - Keep container in a well-ventilated place.
S 16 - Keep away from sources of ignition - No Smoking.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 33 - Take precautionary measures against static discharge.
S 37/39 - Wear suitable gloves and eye/face protection.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 2900 mg/kg
(BASF, 1969)

oral-rat LD50 2140 mg/kg
(Panson & Winek, 1980)

oral-rat LD50 2140 mg/kg
(Eder et al., 1982a)

oral-rat LD50 2140 mg/kg
(Kennedy & Graepel, 1991)

oral-rat LD50 3100 mg/kg
(Ibatullina & Larionova, 199

intravenous-mouse LD50 513 mg/kg
Journal of Pharmaceutical Sciences. Vol. 67, Pg. 566, 1978.

oral-mouse LD50 3100 mg/kg
BEHAVIORAL: GENERAL ANESTHETIC BEHAVIORAL: ATAXIA
Meditsina Truda i Promyshlennaya Ekologiya. Industrial Medicine and Ecology. Vol. (4), Pg. 41, 1997.

oral-rat LD50 2140 mg/kg
Union Carbide Data Sheet. Vol. 4/25/1958

intraperitoneal-rat LDLo 1250 mg/kg
Journal of Industrial Hygiene and Toxicology. Vol. 27, Pg. 1, 1945.

Dermal Toxicity:
skin-rabbit LD50 20 ml/kg
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Inhalation Toxicity:
inhalation-rat LCLo 8000 ppm/4H
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.24 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1600 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 4.0000020.00000
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.0000010.00000
Bakery wares (07.0): 5.0000025.00000
Meat and meat products, including poultry and game (08.0): 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.000005.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0): 3.0000015.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.0000010.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 4.0000020.00000
Ready-to-eat savouries (15.0): 5.0000025.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 2.0000010.00000

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 7 (FGE.07): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Flavouring Group Evaluation 63 (FGE.63): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th meeting) structurally related to saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids evaluated by EFSA in FGE.07 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 7, Revision 1 (FGE.07Rev1): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Scientific opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 7, Revision 2 (FGE.07Rev2) : Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
View page or View pdf

Flavouring Group Evaluation 7, Revision 3 (FGE.07Rev3): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
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Scientific Opinion on Flavouring Group Evaluation 7, Revision 4 (FGE.07Rev4): Saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
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Scientific Opinion on Flavouring Group Evaluation 7, Revision 5 (FGE.07Rev5): saturated and unsaturated aliphatic secondary alcohols, ketones and esters of secondary alcohols and saturated linear or branched-chain carboxylic acids from chemical group 5
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