We have found 46587 results matching your criteria.
Please wait while we search...
  1. 1.
    General Material Information
  2. 2.
    PhysChem Properties
  3. 3.
    Occurrences
  4. 4.
    Organoleptic Properties
  5. 5.
    Suppliers
  6. 6.
    Potential Uses
  7. 7.
    Regulatory & Documentation
  8. 8.
    Safety Information
  9. 9.
    Other Information
  10. 10.
    Blenders & Components
  11. 11.
    Literature & References

benzyl acetone

Chemical Structure

General Material Information

Preferred name benzyl acetone
Trivial Name 4-Phenyl-2-butanone
Short Description 4-phenylbutan-2-one
Formula C10 H12 O
CAS Number 2550-26-7
Flavis Number 7.194
ECHA Number 219-847-4
FDA UNII UZM5QH16YW
Nikkaji Number J31.102B
Beilstein Number 1907123
MDL MFCD00008790
COE Number 11182
xLogP3-AA 1.80 (est)
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • benzylacetone
  • 2-butanone, 4-phenyl-
  • methyl 2-phenyl ethyl ketone
  • methyl 2-phenylethyl ketone
  • methyl phenethyl ketone
  • methyl phenyl ethyl ketone
  • phenethyl methyl ketone
  • 4-phenyl butan-2-one
  • beta- phenyl ethyl methyl ketone
  • 4-phenyl-2-butanone
  • 1-phenyl-3-butanone
  • 4-phenyl-butan-2-one
  • 4-phenylbutan-2-one
  • 4-phenylbutan-2-one
  • 2-Butanone, 4-phenyl-
  • 4-Phenyl-2-butanone
  • 1-Phenyl-3-butanone
  • 2-Phenylethyl methyl ketone
  • NSC 44829
  • NSC 813

US / EU / FDA / JECFA / FEMA / Scholar / Patents

Google Scholar Start search
Google Books Start search
Google Patents Start search
Perfumer & Flavorists Start search
EU Patents Start search
PubMeb Start search
NCBI Start search

Literature & References

4-phenylbutan-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2550-26-7
Pubchem (cid):17355
Pubchem (sid):134982576
Pherobase:View
Publications by PubMed
A genomic search approach to identify carbonyl reductases in Gluconobacter oxydans for enantioselective reduction of ketones.
Mutation of Thermoanaerobacter ethanolicus secondary alcohol dehydrogenase at Trp-110 affects stereoselectivity of aromatic ketone reduction.
[GC-MS analysis of volatile oil components from Aquilariae Lignum Resinatum concreted by a new artificial method].
Nematicidal activity of the essential oil of Rhododendron anthopogonoides aerial parts and its constituent compounds against Meloidogyne incognita.
Cornflower (Centaurea cyanus L.) honey quality parameters: chromatographic fingerprints, chemical biomarkers, antioxidant capacity and others.
Sedative effects of inhaled benzylacetone and structural features contributing to its activity.
Acetophenone reductase with extreme stability against a high concentration of organic compounds or an elevated temperature.
RNAi-mediated silencing of the HD-Zip gene HD20 in Nicotiana attenuata affects benzyl acetone emission from corollas via ABA levels and the expression of metabolic genes.
Immobilization of Escherichia coli containing ω-transaminase activity in LentiKats®.
The post-pollination ethylene burst and the continuation of floral advertisement are harbingers of non-random mate selection in Nicotiana attenuata.
Synthesis and antimalarial activity of dihydroperoxides and tetraoxanes conjugated with bis(benzyl)acetone derivatives.
Toxicity of Rhododendron anthopogonoides essential oil and its constituent compounds towards Sitophilus zeamais.
A smart palladium catalyst in ionic liquid for tandem processes.
Ionic liquid catalysed synthesis of β-hydroxy ketones.
[Synthesis and investigation on antidiabetic activity of 4-(1-aryl-3-oxo-5-phenylpentylamino) benzenesulfonamide].
Chemical composition of volatile oils of Aquilaria malaccensis (Thymelaeaceae) from Malaysia.
A serine-type protease activity of human lens βA3-crystallin is responsible for its autodegradation.
Composition of sulla (Hedysarum coronarium L.) honey solvent extractives determined by GC/MS: norisoprenoids and other volatile organic compounds.
Changing pollinators as a means of escaping herbivores.
Field experiments with transformed plants reveal the sense of floral scents.
Plant science. The "invisible hand" of floral chemistry.
Comparison of the volatile composition in thyme honeys from several origins in Greece.
Total synthesis of natural product (R)-4-phenyl-2-O-[beta-D-xylopyranosyl(1-->6)-beta-D-glucopyranosyl]butane and its epimer.
A Bax/Bak-independent mechanism of cytochrome c release.
Asymmetric reduction and oxidation of aromatic ketones and alcohols using W110A secondary alcohol dehydrogenase from Thermoanaerobacter ethanolicus.
Dakin-West synthesis of beta-aryl ketones.
4-Phenylbutan-2-one semicarbazone.
Purification and characterization of PrbA, a new esterase from Enterobacter cloacae hydrolyzing the esters of 4-hydroxybenzoic acid (parabens).
Reductive metabolism of an alpha,beta-ketoalkyne, 4-phenyl-3-butyn-2-one, by rat liver preparations.
Reductive metabolism In vivo of trans-4-phenyl-3-buten-2-one in rats and dogs.
Synthesis and immunotropic activity of some 2-aminobenzimidazoles, Part 4.
Absorption, disposition, and metabolism of trans-methyl styryl ketone in female B6C3F1 mice.
Camptothecin-induced apoptosis in p53-null human leukemia HL60 cells and their isolated nuclei: effects of the protease inhibitors Z-VAD-fmk and dichloroisocoumarin suggest an involvement of both caspases and serine proteases.
A Plant Chloroplast Glutamyl Proteinase.
Stereoselective catalysis of a retro-Michael reaction by class mu glutathione transferases. Consequences for the internal distribution of products in the active site.
Big endothelin-converting enzyme activities in subcellular fractions of bovine aortic endothelial cells.
Inhibition of pig liver esterase by trifluoromethyl ketones: modulators of the catalytic reaction alter inhibition kinetics.
Semiochemical attractants ofDiabrotica undecimpunctata howardi barber, southern corn rootworm, andDiabrotica virgifera virgifera leconte, the western corn rootworm (Coleoptera: Chrysomelidae).
Biotransformation of terodiline I. Identification of metabolites in dog urine by mass spectrometry.
The mode of binding of potential transition-state analogs to acetylcholinesterase.
The structure and function of acid proteases. VI. Effects of acid protease-specific inhibitors on the acid proteases from Aspergillus niger var. macrosporus.
Enzymic and physicochemical properties of Streptomyces griseus trypsin.
A new method for determining the absolute molarity of solutions of trypsin and chymotrypsin by using p-nitrophenyl N2-acetyl-N1-benzylcarbazate.
Studies on the reaction of chymotrypsin and L-1-chloro-3-tosylamido-4-phenyl-2-butanone.
New Synthetic Lures for the Male Melon Fly.

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
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2914.39.9000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 148.20483398438
Specific gravity @ 25 °C
Pounds per Gallon 8.196 to 8.246
Refractive Index 1.509 to 1.515 @ 20 °C
Boiling Point 233 to 235°C @ 760 mm Hg
Vapor Pressure 0.056 mmHg @ 25 °C
Flash Point TCC Value 97.78 °C TCC
logP (o/w) 1.963 est
Solubility
alcohol Yes
water, 1625 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Floral
floral, balsamic
Odor strength medium
Substantivity 172 hour(s) at 100.00 %
General comment At 100.00 %. floral balsam
Flavor Type: Fruity
strawberry
General comment Strawberry

Occurrences

Potential Uses

Applications
Odor purposes Balsam, Blackberry, Currant, Jasmin, Raspberry, Strawberry
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 24 - Avoid contact with skin.
S 36 - Wear suitable protective clothing.
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 [sex: M] 3200 mg/kg
(Moreno, 1980j)

oral-mouse LD50 1590 mg/kg
Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 15(5), Pg. 7, 1980.

intraperitoneal-mouse LD50 583 mg/kg
Yaoxue Tongbao. Bulletin of Pharmacology. Vol. 15(5), Pg. 7, 1980.

oral-rat LD50 3200 mg/kg
Food and Chemical Toxicology. Vol. 21, Pg. 647, 1983.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Chemical Toxicology. Vol. 21, Pg. 647, 1983.

Inhalation Toxicity:
Not determined

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
Recommendation for benzyl acetone usage levels up to:
2.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (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 16 (FGE.16): Aromatic ketones from chemical group 21 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 16, Revision 1 (FGE.16Rev1)[1]: Aromatic ketones from chemical group 21- Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 69, (FGE.69)[1] - Consideration of aromatic substituted secondary alcohols, ketones and related esters evaluated by JECFA (57th meeting) structurally related to aromatic ketones from chemical group 21 evaluated by EFSA in FGE.16 (2006) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 16, Revision 2 (FGE.16Rev2): Aromatic ketones from chemical group 21
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):2550-26-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :17355
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
4-phenylbutan-2-one
Chemidplus:0002550267
RTECS:EL9600000 for cas# 2550-26-7