methyl heptenone
6-methyl-5-hepten-2-one
Identification
| Name | methyl heptenone |
| IUPAC | 6-methylhept-5-en-2-one |
| CAS Number | 110-93-0 |
| EINECS | 203-816-7 |
| FDA UNII | 448353S93V |
| Molecular Formula | C8 H14 O |
| Molecular Weight | 126.19878000 |
| MDL Number | MFCD00008905 |
| Nikkaji Number | J58.156I |
| Beilstein | 1741705 |
| CoE Number | 149 |
| XlogP3 | 1.90 (est) |
Regulatory
| JECFA Food Flavoring | 1052 6-methyl-5-hepten-2-one |
| DG SANTE Food Flavourings | 07.015 6-methylhept-5-en-2-one |
| FEMA Number | 2707 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 110-93-0 ; 6-METHYL-5-HEPTEN-2-ONE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | Yes |
| Specific Gravity | 0.84600 to 0.85400 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.040 to 7.106 |
| Refractive Index | 1.43500 to 1.44500 @ 20.00 °C. |
| Melting Point | -67.00 to -68.00 °C. @ 760.00 mm Hg |
| Boiling Point | 72.00 to 73.00 °C. @ 18.00 mm Hg, 173.10 °C. @ 760.00 mm Hg |
| Vapor Pressure | 1.277000 mmHg @ 25.00 °C. (est) |
| Flash Point | 123.00 °F. TCC ( 50.56 °C. ) |
| logP (o/w) | 1.947 (est) |
| Shelf Life | 12.00 month(s) or longer if stored properly. |
| Storage | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in | alcohol |
| Insoluble in | water |
| Stability | bath foam |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | medium , |
| Substantivity | 4 hour(s) at 100.00 % |
| Odor Description |
at 10.00 % in dipropylene glycol. Fruity, apple, musty, ketonic and creamy with slight cheesy and banana nuances Citrus, Lemongrass fresh, fruity, estery, citrusy; lemongrass connotation
|
| Odor sample from | Berje Inc. |
| Taste Description |
at 10.00 ppm. pear
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 3 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-mouse LD50 [sex: M,F] 3690 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 5000 mg/kg |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| 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 |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| 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 | - |
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Potential Uses
Natural Occurrence
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
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
Info:
Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.)
PubMed:
Emission rates of selected volatile organic compounds from skin of healthy volunteers.
J-Stage:
Synthesis of Carboxylic Acids, Esters, Alcohols and Ethers Containing a Tetrahydropyran Ring Derived from 6-Methyl-5-hepten-2-one
PubMed:
On the enigmatic scent glands of dyspnoan harvestmen (Arachnida, Opiliones): first evidence for the production of volatile secretions.
PubMed:
Involvement of a Specific Chemosensory Protein from Bactrocera dorsalis in Perceiving Host Plant Volatiles.
PubMed:
Monitoring of Selected Skin-Borne Volatile Markers of Entrapped Humans by Selective Reagent Ionization Time of Flight Mass Spectrometry in NO(+) Mode.
PubMed:
Chemometric discrimination of different tomato cultivars based on their volatile fingerprint in relation to lycopene and total phenolics content.
PubMed:
Geographical variation in the exhaled volatile organic compounds.
PubMed:
Biotransformations of terpenes by fungi from Amazonian citrus plants.
PubMed:
Utilisation of chemical signals by inquiline wasps in entering their host figs.
PubMed:
Behavioural response of sexually naïve and experienced male rats to the smell of 6-methyl-5-hepten-2-one and female rat faeces.
PubMed:
Effect of release rate and enantiomeric composition on response to pheromones of Megaplatypus mutatus (Chapuis) in poplar plantations of Argentina and Italy.
PubMed:
Ozone and ozone byproducts in the cabins of commercial aircraft.
PubMed:
A nanomaterial-based breath test for distinguishing gastric cancer from benign gastric conditions.
PubMed:
Ion mobility spectrometry for detection of skin volatiles.
PubMed:
Volatile compounds emitted by Triatoma dimidiata, a vector of Chagas disease: chemical analysis and behavioural evaluation.
PubMed:
Electrophysiological and behavioral responses of male fall webworm moths (Hyphantria cunea) to Herbivory-induced mulberry (Morus alba) leaf volatiles.
PubMed:
Synthesis of carboxylic acids, esters, alcohols and ethers containing a tetrahydropyran ring derived from 6-methyl-5-hepten-2-one.
PubMed:
Smelling your way to food: can bed bugs use our odour?
PubMed:
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.
PubMed:
Sensory and physicochemical characterization of juices made with pomegranate and blueberries, blackberries, or raspberries.
PubMed:
Electrophysiological and behavioral responses of sorghum shoot fly, Atherigona soccata, to sorghum volatiles.
PubMed:
Arm-in-cage testing of natural human-derived mosquito repellents.
PubMed:
Carotenoid content impacts flavor acceptability in tomato (Solanum lycopersicum).
PubMed:
Short anaerobiosis period prior to cold storage alleviates bitter pit and superficial scald in Granny Smith apples.
PubMed:
Assessment of dominance hierarchy through urine scent marking and its chemical constituents in male blackbuck Antelope cervicapra, a critically endangered species.
PubMed:
Comparison of tomatillo and tomato volatile compounds in the headspace by selected ion flow tube mass spectrometry (SIFT-MS).
PubMed:
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.
PubMed:
Characterization of some Italian ornamental thyme by their aroma.
PubMed:
Characterization of the antennal olfactory system of the bed bug (Cimex lectularius).
PubMed:
Olfactory response of Haematobia irritans (Diptera: Muscidae) to cattle-derived volatile compounds.
PubMed:
Between plant and diurnal variation in quantities and ratios of volatile compounds emitted by Vicia faba plants.
PubMed:
Metabolomic change precedes apple superficial scald symptoms.
PubMed:
Heterogeneous oxidation of squalene film by ozone under various indoor conditions.
PubMed:
A visual reporter system for virus-induced gene silencing in tomato fruit based on anthocyanin accumulation.
PubMed:
Identification of human-derived volatile chemicals that interfere with attraction of the Scottish biting midge and their potential use as repellents.
PubMed:
Substrate promiscuity of RdCCD1, a carotenoid cleavage oxygenase from Rosa damascena.
PubMed:
Superficial scald and bitter pit development in cold-stored transgenic apples suppressed for ethylene biosynthesis.
PubMed:
Characterization of the rice carotenoid cleavage dioxygenase 1 reveals a novel route for geranial biosynthesis.
PubMed:
Lycopene accumulation affects the biosynthesis of some carotenoid-related volatiles independent of ethylene in tomato.
PubMed:
Ozonolysis of geraniol-trans, 6-methyl-5-hepten-2-one, and 6-hydroxy-4-methyl-4-hexenal: kinetics and mechanisms.
PubMed:
Identification of volatile compounds used in host location by the black bean aphid, Aphis fabae.
PubMed:
The carotenoid cleavage dioxygenase 1 enzyme has broad substrate specificity, cleaving multiple carotenoids at two different bond positions.
PubMed:
Ozone-initiated chemistry in an occupied simulated aircraft cabin.
PubMed:
Light-induced off-flavor development in cloudy apple juice.
PubMed:
Studies on the aroma of maté (Ilex paraguariensis St. Hil.) using headspace solid-phase microextraction.
PubMed:
Foreign-language skills in rove-beetles? Evidence for chemical mimicry of ant alarm pheromones in myrmecophilous Pella beetles (Coleoptera: Staphylinidae).
PubMed:
Fibrillin influence on plastid ultrastructure and pigment content in tomato fruit.
PubMed:
Response of the aphid parasitoid Aphidius funebris to volatiles from undamaged and aphid-infested Centaurea nigra.
PubMed:
Volatile organic compounds from feces and their potential for diagnosis of gastrointestinal disease.
PubMed:
Characterization and semiquantitative analysis of volatiles in seedless watermelon varieties using solid-phase microextraction.
PubMed:
Identification of volatile emissions from Platypus mutatus (=sulcatus) (Coleoptera: Platypodidae) and their behavioral activity.
PubMed:
Identification of oxidation products of solanesol produced during air sampling for tobacco smoke by electrospray mass spectrometry and HPLC.
PubMed:
Volatile organic compounds in natural biofilm in polyethylene pipes supplied with lake water and treated water from the distribution network.
PubMed:
Products of ozone-initiated chemistry in a simulated aircraft environment.
PubMed:
Chemical composition of hips essential oils of some Rosa L. species.
PubMed:
Carotenoid pigmentation affects the volatile composition of tomato and watermelon fruits, as revealed by comparative genetic analyses.
PubMed:
The role of volatile semiochemicals in mediating host location and selection by nuisance and disease-transmitting cattle flies.
PubMed:
Biofilm in water pipelines; a potential source for off-flavours in the drinking water.
PubMed:
Biotransformation of (R)-(+)- and (S)-(-)-citronellol by Aspergillus sp. and Penicillium sp., and the use of solid-phase microextraction for screening.
PubMed:
Changes in volatile compounds of carrots (Daucus carota L.) during refrigerated and frozen storage.
PubMed:
The ability of Bipolaris sorokiniana to modify geraniol and (-)-alpha-bisabolol as exogenous substrates.
PubMed:
Potential of gas chromatography-orthogonal acceleration time-of-flight mass spectrometry (GC-oaTOFMS) in flavor research.
PubMed:
Comparison of two microalgal diets. 2. Influence on odorant composition and organoleptic qualities of raw oysters (Crassostrea gigas).
PubMed:
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.
PubMed:
[Effects of volatiles from different trophic level on foraging behavior of Aphidius avenae].
PubMed:
Novel chemistry of abdominal defensive glands of nymphalid butterfly Agraulis vanillae.
PubMed:
Acetyltrimethylsilane, trifluoromethyltrimethylsilane, and prenyl esters: a three-component system for the synthesis of gem-difluoroanalogues of monoterpenes.
PubMed:
Olfactory receptors on the antennae of the malaria mosquito Anopheles gambiae are sensitive to ammonia and other sweat-borne components.
PubMed:
Amino acid-catalyzed conversion of citral: cis-trans isomerization and its conversion into 6-methyl-5-hepten-2-one and acetaldehyde.
PubMed:
Formation of volatile compounds during heating of spice paprika (Capsicum annuum) powder.
PubMed:
Temperature-dependent autoxidation of conjugated trienols from apple peel yields 6-methyl-5-hepten-2-one, a volatile implicated in induction of scald.
PubMed:
Effect of superficial scald suppression by diphenylamine application on volatile evolution by stored Cortland apple fruit.
PubMed:
Identification of electrophysiologically-active compounds for the malaria mosquito, Anopheles gambiae, in human sweat extracts.
PubMed:
Transformation of presumptive precursors to frontalin and exo-brevicomin by bark beetles and west Indian sugarcane weevil (Coleoptera).
PubMed:
Interactions betweenAlloxysta brevis (Hymenoptera, Cynipoidea, Alloxystidae) and honeydew-collecting ants: How an aphid hyperparasitoid overcomes ant aggression by chemical defense.
PubMed:
(+)-4 beta-hydroxyhernandulcin, a new sweet sesquiterpene from the leaves and flowers of Lippia dulcis.
PubMed:
Formation of formaldehyde and malonaldehyde by photooxidation of squalene.
PubMed:
Robber bees (Lestrimelitta limao) and their host chemical and visual cues in nest defense byTrigona (Tetragonisca) angustula (Apidae: Meliponinae).
PubMed:
Chemistry and functions of exocrine secretions of the antsTapinoma melanocephalum and T. erraticum.
PubMed:
Identification of isoprenoid-type components in human expired air: a possible shunt pathway in sterol metabolism.
PubMed:
Odor mimetism? : Key substances inOphrys lutea-Andrena pollination relationship (Orchidaceae: Andrenidae).
PubMed:
Chemistry of the anal glands of Bothriomyrmex syrius forel. Olfactory mimetism and temporary social parasitism.
PubMed:
Mandibular gland secretions of two parasitoid wasps (Hymenoptera: Ichneumonidae).
PubMed:
Constituents of mandibular and Dufour's glands of an australianPolyrhachis weaver ant.
PubMed:
Identification of new components from anal glands ofTapinoma simrothi pheonicium.
PubMed:
A comparative study of the exocrine products of cleptoparasitic bees (Holcopasites) and their hosts (Calliopsis) (Hymenoptera: Anthophoridae, Andrenidae).
PubMed:
[Chemical composition of the essential oil from melissa].
PubMed:
Exocrine glands ofPolyrhachis simplex: Chemistry and function.
PubMed:
Influence of methylheptenone and related phytoplankton norcarotenoids on heterotrophic aquatic bacteria.
PubMed:
Volatile monocarbonyl compounds of carrot roots at various stages of maturity.
PubMed:
[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)].
PubMed:
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.
PubMed:
Nonanal and 6-methyl-5-hepten-2-one: endogenous germination stimulators of uredospores of Puccinia graminis var. tritici and other rusts.