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methyl heptenone

Chemical Structure

General Material Information

Preferred name methyl heptenone
Trivial Name 6-Methyl-5-hepten-2-one
Short Description 6-methyl-5-hepten-2-one
Formula C8 H14 O
CAS Number 110-93-0
Deleted CAS Number 129085-68-3
FEMA Number 2707
Flavis Number 7.015
ECHA Number 203-816-7
FDA UNII 448353S93V
Nikkaji Number J58.156I
Beilstein Number 1741705
MDL MFCD00008905
COE Number 149
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 1052 6-methyl-5-hepten-2-one
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 110-93-0 ; 6-METHYL-5-HEPTEN-2-ONE
Synonyms
  • hept-5-en-2-one, 6-methyl-
  • 5-hepten-2-one, 6-methyl-
  • 6-methyl hept-5-en-2-one
  • 2-oxo-6-methyl hept-5-ene
  • methyl heptenone (natural)
  • methyl heptenone natural
  • 2-methyl heptenone natural
  • methyl heptenone pure
  • methyl heptenone pure FCC
  • methyl isohexenyl ketone
  • 2-methyl-2-hepten-6-one
  • 6-methyl-5-hepten-2-one
  • 6-methyl-5-heptene-2-one
  • 6-methyl-5-heptenone
  • 2-methyl-6-oxo-2-heptene
  • 6-methyl-hept-5-en-2-one
  • 6-methylhept-5-en-2-one
  • 2-oxo-6-methylhept-5-ene
  • 6-methylheptan-5-ene-2-one
  • methylheptenone
  • sulcatone
  • 6-methylhept-5-en-2-one
  • 5-Hepten-2-one, 6-methyl-
  • 6-Methyl-5-hepten-2-one
  • 2-Methyl-6-oxo-2-heptene
  • 6-Methyl-Δ5-hepten-2-one
  • 2-Methyl-2-hepten-6-one
  • 6-Methyl-5-heptene-2-one
  • 2-Methyl-2-heptene-6-one
  • 2-Oxo-6-methylhept-5-ene
  • 2-Methyl-2-heptene-6-ketone
  • NSC 15294
  • NSC 66569
  • Prenylacetone
  • 6-Methyl-5-hepten-2-ketone
  • Isoprenylacetone

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

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Literature & References

6-methylhept-5-en-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:110-93-0
Pubchem (cid):9862
Pubchem (sid):135018574
Flavornet:110-93-0
Pherobase:View
Publications by Info
Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.)
Publications by PubMed
Emission rates of selected volatile organic compounds from skin of healthy volunteers.
On the enigmatic scent glands of dyspnoan harvestmen (Arachnida, Opiliones): first evidence for the production of volatile secretions.
Involvement of a Specific Chemosensory Protein from Bactrocera dorsalis in Perceiving Host Plant Volatiles.
Monitoring of Selected Skin-Borne Volatile Markers of Entrapped Humans by Selective Reagent Ionization Time of Flight Mass Spectrometry in NO(+) Mode.
Chemometric discrimination of different tomato cultivars based on their volatile fingerprint in relation to lycopene and total phenolics content.
Geographical variation in the exhaled volatile organic compounds.
Biotransformations of terpenes by fungi from Amazonian citrus plants.
Utilisation of chemical signals by inquiline wasps in entering their host figs.
Behavioural response of sexually naïve and experienced male rats to the smell of 6-methyl-5-hepten-2-one and female rat faeces.
Effect of release rate and enantiomeric composition on response to pheromones of Megaplatypus mutatus (Chapuis) in poplar plantations of Argentina and Italy.
Ozone and ozone byproducts in the cabins of commercial aircraft.
A nanomaterial-based breath test for distinguishing gastric cancer from benign gastric conditions.
Ion mobility spectrometry for detection of skin volatiles.
Volatile compounds emitted by Triatoma dimidiata, a vector of Chagas disease: chemical analysis and behavioural evaluation.
Electrophysiological and behavioral responses of male fall webworm moths (Hyphantria cunea) to Herbivory-induced mulberry (Morus alba) leaf volatiles.
Synthesis of carboxylic acids, esters, alcohols and ethers containing a tetrahydropyran ring derived from 6-methyl-5-hepten-2-one.
Smelling your way to food: can bed bugs use our odour?
Carbonyl oxides reactions from geraniol-trans-(3,7-dimethylocta-2,6-dien-1-ol), 6-methyl-5-hepten-2-one, and 6-hydroxy-4-methyl-4-hexenal ozonolysis: kinetics and mechanisms.
Sensory and physicochemical characterization of juices made with pomegranate and blueberries, blackberries, or raspberries.
Electrophysiological and behavioral responses of sorghum shoot fly, Atherigona soccata, to sorghum volatiles.
Arm-in-cage testing of natural human-derived mosquito repellents.
Carotenoid content impacts flavor acceptability in tomato (Solanum lycopersicum).
Short anaerobiosis period prior to cold storage alleviates bitter pit and superficial scald in Granny Smith apples.
Assessment of dominance hierarchy through urine scent marking and its chemical constituents in male blackbuck Antelope cervicapra, a critically endangered species.
Comparison of tomatillo and tomato volatile compounds in the headspace by selected ion flow tube mass spectrometry (SIFT-MS).
Theoretical study of the addition of OH radicals to trans-geraniol-(3,7-dimethylocta-2,6-dien-1-ol), 6-methyl-5-hepten-2-one, and 6-hydroxy-4-methyl-4-hexenal.
Characterization of some Italian ornamental thyme by their aroma.
Characterization of the antennal olfactory system of the bed bug (Cimex lectularius).
Olfactory response of Haematobia irritans (Diptera: Muscidae) to cattle-derived volatile compounds.
Between plant and diurnal variation in quantities and ratios of volatile compounds emitted by Vicia faba plants.
Metabolomic change precedes apple superficial scald symptoms.
Heterogeneous oxidation of squalene film by ozone under various indoor conditions.
A visual reporter system for virus-induced gene silencing in tomato fruit based on anthocyanin accumulation.
Identification of human-derived volatile chemicals that interfere with attraction of the Scottish biting midge and their potential use as repellents.
Substrate promiscuity of RdCCD1, a carotenoid cleavage oxygenase from Rosa damascena.
Superficial scald and bitter pit development in cold-stored transgenic apples suppressed for ethylene biosynthesis.
Characterization of the rice carotenoid cleavage dioxygenase 1 reveals a novel route for geranial biosynthesis.
Lycopene accumulation affects the biosynthesis of some carotenoid-related volatiles independent of ethylene in tomato.
Ozonolysis of geraniol-trans, 6-methyl-5-hepten-2-one, and 6-hydroxy-4-methyl-4-hexenal: kinetics and mechanisms.
Identification of volatile compounds used in host location by the black bean aphid, Aphis fabae.
The carotenoid cleavage dioxygenase 1 enzyme has broad substrate specificity, cleaving multiple carotenoids at two different bond positions.
Ozone-initiated chemistry in an occupied simulated aircraft cabin.
Light-induced off-flavor development in cloudy apple juice.
Studies on the aroma of maté (Ilex paraguariensis St. Hil.) using headspace solid-phase microextraction.
Foreign-language skills in rove-beetles? Evidence for chemical mimicry of ant alarm pheromones in myrmecophilous Pella beetles (Coleoptera: Staphylinidae).
Fibrillin influence on plastid ultrastructure and pigment content in tomato fruit.
Response of the aphid parasitoid Aphidius funebris to volatiles from undamaged and aphid-infested Centaurea nigra.
Volatile organic compounds from feces and their potential for diagnosis of gastrointestinal disease.
Characterization and semiquantitative analysis of volatiles in seedless watermelon varieties using solid-phase microextraction.
Identification of volatile emissions from Platypus mutatus (=sulcatus) (Coleoptera: Platypodidae) and their behavioral activity.
Identification of oxidation products of solanesol produced during air sampling for tobacco smoke by electrospray mass spectrometry and HPLC.
Volatile organic compounds in natural biofilm in polyethylene pipes supplied with lake water and treated water from the distribution network.
Products of ozone-initiated chemistry in a simulated aircraft environment.
Chemical composition of hips essential oils of some Rosa L. species.
Carotenoid pigmentation affects the volatile composition of tomato and watermelon fruits, as revealed by comparative genetic analyses.
The role of volatile semiochemicals in mediating host location and selection by nuisance and disease-transmitting cattle flies.
Biofilm in water pipelines; a potential source for off-flavours in the drinking water.
Biotransformation of (R)-(+)- and (S)-(-)-citronellol by Aspergillus sp. and Penicillium sp., and the use of solid-phase microextraction for screening.
Changes in volatile compounds of carrots (Daucus carota L.) during refrigerated and frozen storage.
The ability of Bipolaris sorokiniana to modify geraniol and (-)-alpha-bisabolol as exogenous substrates.
Potential of gas chromatography-orthogonal acceleration time-of-flight mass spectrometry (GC-oaTOFMS) in flavor research.
Comparison of two microalgal diets. 2. Influence on odorant composition and organoleptic qualities of raw oysters (Crassostrea gigas).
Volatile components and aroma active compounds in aqueous essence and fresh pink guava fruit puree (Psidium guajava L.) by GC-MS and multidimensional GC/GC-O.
[Effects of volatiles from different trophic level on foraging behavior of Aphidius avenae].
Novel chemistry of abdominal defensive glands of nymphalid butterfly Agraulis vanillae.
Acetyltrimethylsilane, trifluoromethyltrimethylsilane, and prenyl esters: a three-component system for the synthesis of gem-difluoroanalogues of monoterpenes.
Olfactory receptors on the antennae of the malaria mosquito Anopheles gambiae are sensitive to ammonia and other sweat-borne components.
Amino acid-catalyzed conversion of citral: cis-trans isomerization and its conversion into 6-methyl-5-hepten-2-one and acetaldehyde.
Formation of volatile compounds during heating of spice paprika (Capsicum annuum) powder.
Temperature-dependent autoxidation of conjugated trienols from apple peel yields 6-methyl-5-hepten-2-one, a volatile implicated in induction of scald.
Effect of superficial scald suppression by diphenylamine application on volatile evolution by stored Cortland apple fruit.
Identification of electrophysiologically-active compounds for the malaria mosquito, Anopheles gambiae, in human sweat extracts.
Transformation of presumptive precursors to frontalin and exo-brevicomin by bark beetles and west Indian sugarcane weevil (Coleoptera).
Interactions betweenAlloxysta brevis (Hymenoptera, Cynipoidea, Alloxystidae) and honeydew-collecting ants: How an aphid hyperparasitoid overcomes ant aggression by chemical defense.
(+)-4 beta-hydroxyhernandulcin, a new sweet sesquiterpene from the leaves and flowers of Lippia dulcis.
Formation of formaldehyde and malonaldehyde by photooxidation of squalene.
Robber bees (Lestrimelitta limao) and their host chemical and visual cues in nest defense byTrigona (Tetragonisca) angustula (Apidae: Meliponinae).
Chemistry and functions of exocrine secretions of the antsTapinoma melanocephalum and T. erraticum.
Identification of isoprenoid-type components in human expired air: a possible shunt pathway in sterol metabolism.
Odor mimetism? : Key substances inOphrys lutea-Andrena pollination relationship (Orchidaceae: Andrenidae).
Chemistry of the anal glands of Bothriomyrmex syrius forel. Olfactory mimetism and temporary social parasitism.
Mandibular gland secretions of two parasitoid wasps (Hymenoptera: Ichneumonidae).
Constituents of mandibular and Dufour's glands of an australianPolyrhachis weaver ant.
Identification of new components from anal glands ofTapinoma simrothi pheonicium.
A comparative study of the exocrine products of cleptoparasitic bees (Holcopasites) and their hosts (Calliopsis) (Hymenoptera: Anthophoridae, Andrenidae).
[Chemical composition of the essential oil from melissa].
Exocrine glands ofPolyrhachis simplex: Chemistry and function.
Influence of methylheptenone and related phytoplankton norcarotenoids on heterotrophic aquatic bacteria.
Volatile monocarbonyl compounds of carrot roots at various stages of maturity.
[The quantitative composition of natural and technologically changed aromas of plants. IV. Enzymic and thermal reaction products formed during the processing of tomatoes (author's transl)].
Differences in germination response of spores of several species of rust and smut fungi to nonanal, 6-methyl-5-hepten-2-one, and related compounds.
Nonanal and 6-methyl-5-hepten-2-one: endogenous germination stimulators of uredospores of Puccinia graminis var. tritici and other rusts.
Publications by J-Stage
Synthesis of Carboxylic Acids, Esters, Alcohols and Ethers Containing a Tetrahydropyran Ring Derived from 6-Methyl-5-hepten-2-one

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
FDA Substances Added to Food (formerly EAFUS):View
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C07287
HMDB (The Human Metabolome Database):HMDB35915
FooDB:FDB014708
YMDB (Yeast Metabolome Database):YMDB00877
Export Tariff Code:2914.19.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 126.19877624512
Specific gravity @ 25 °C
Pounds per Gallon 7.04 to 7.106
Refractive Index 1.435 to 1.445 @ 20 °C
Melting Point -67 to -68°C @ 760 mm Hg
Boiling Point 72 to 73°C @ 18 mm Hg
Vapor Pressure 1.277 mmHg @ 25 °C
Flash Point TCC Value 50.56 °C TCC
logP (o/w) 1.947 est
Shelf life 12 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
fixed oils Yes
water, 3351 /mg/L @ 20 °C (exp) Yes
water No
Stability
bath foam Unspecified
detergent Unspecified
non-discoloring in most media Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Citrus
citrus, green, musty, lemongrass, apple, fruity, ketonic, creamy, cheesy, banana
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 4 hour(s) at 100.00 %
Luebke, William tgsc, (1985) At 10.00 % in dipropylene glycol. citrus green musty lemongrass apple
Mosciano, Gerard P&F 22, No. 1, 57, (1997) Fruity, apple, musty, ketonic and creamy with slight cheesy and banana nuances
Flavor Type: Green
green, vegetable, musty, apple, banana, bean green bean
Mosciano, Gerard P&F 22, No. 1, 57, (1997) At 10.00 ppm. Green, vegetative, musty, apple, banana and green bean-like
General comment Pear

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Flammable liquids (Category 3), H226
Acute aquatic toxicity (Category 3), H402
Chronic aquatic toxicity (Category 3), H412
GHS Label elements, including precautionary statements
Pictogramflame.jpg
Signal word Warning
Hazard statement(s)
H226 - Flammable liquid and vapour
H402 - Harmful to aquatic life
H412 - Harmful to aquatic life with long lasting effects
Precautionary statement(s)
P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233 - Keep container tightly closed.
P240 - Ground/bond container and receiving equipment.
P241 - Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242 - Use only non-sparking tools.
P243 - Take precautionary measures against static discharge.
P273 - Avoid release to the environment.
P280 - Wear protective gloves/protective clothing/eye protection/face protection.
P303 + P361 + P353 - IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P370 + P378 - In case of fire: Use dry sand, dry chemical or alcohol-resistant foam for extinction.
P403 + P235 - Store in a well-ventilated place. Keep cool.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Human Experience:
3 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
oral-mouse LD50 [sex: M,F] 3690 mg/kg
(Colaianni, 1967)

oral-rat LD50 [sex: M,F] 4100 mg/kg
(Keating, 1972a)

oral-mouse LD50 2410 mg/kg
BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: MUSCLE WEAKNESS
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(8), Pg. 52, 1988.

oral-rat LD50 3500 mg/kg
Medizin und Ernaehrung. Vol. 8, Pg. 244, 1967.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 859, 1975.

skin-rat LD50 > 2000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 859, 1975.

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 methyl heptenone usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 100.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 44.00 (μg/capita/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -1.30000
beverages(nonalcoholic): -1.10000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.10000
fruit ices: -1.10000
gelatins / puddings: -1.30000
granulated sugar: --
gravies: --
hard candy: -1.10000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --

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

Scientific Opinion on Flavouring Group Evaluation 95 (FGE.95): Consideration of aliphatic, linear or branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (69th meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05Rev1 (2008)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 63, Revision 1 (FGE.63Rev1): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) 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.07Rev4 (2012)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 63, Revision 2 (FGE.63Rev2): Consideration of aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) 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.07Rev4
View page or View pdf

Safety and efficacy of saturated and unsaturated aliphatic secondary alcohols, ketones and esters with esters containing secondary alcohols belonging to chemical group 5 when used as flavourings for all animal species
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 63, Revision 3 (FGE.63Rev3): aliphatic secondary alcohols, ketones and related esters evaluated by JECFA (59th and 69th meetings) 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.07Rev4
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):110-93-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :9862
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1224
WGK Germany:1
6-methylhept-5-en-2-one
Chemidplus:0000110930
RTECS:MJ9700000 for cas# 110-93-0