CAS 110-93-0PubChem CID 9862
6-Methyl-5-hepten-2-one
6-methyl-5-hepten-2-one has been reported in Camellia sinensis, Humulus lupulus, and other organisms with data available. — LOTUS - the natural products occurrence database
- IUPAC name
- 6-methylhept-5-en-2-one
- Molecular formula
- C8H14O
- Molecular weight
- 126.20 g/mol
- Exact mass
- 126.104465066 Da
- XLogP3
- 1.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 1
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
SulcatoneMETHYL HEPTENONE5-HEPTEN-2-ONE, 6-METHYL-2-Oxo-6-methylhept-5-eneFEMA No. 2707NSC-15294CHEBI:16310RefChem:818618
16 more reported names
203-816-7Methylheptenone2-Methyl-2-hepten-6-one6-Methyl-5-heptene-2-oneprenylacetone6-Methyl-hepten-2-one2-Methyl-6-oxo-2-heptene409-02-9NSC 152946-methyl-hept-5-en-2-one6-Methyl hept-5-en-2-one6-methylheptan-5-ene-2-one2-METHYL-2-HEPTENE-6-KETONECAS-110-93-0Heptenone, methyl-EINECS 203-816-7
External database identifiers
- ChEBI:CHEBI:16310
- ChEMBL:CHEMBL46340
- EPA DTXSID:DTXSID5021629
- PubMed:22945026
- PubMed:22489153
- PubMed:22384116
- PubMed:22346620
- PubMed:22291693
- PubMed:22279069
- PubMed:22162874
- PubMed:22142357
- PubMed:21931286
- PubMed:21813796
- PubMed:21609020
- PubMed:21535574
Evidence from additional scientific databases
NIH PubChem PUG-View
Exact identifier match9862
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 173 °C @ 760 MM HG Source: Hazardous Substances Data Bank (HSDB)
- Boiling Point: 72.00 to 73.00 °C. @ 18.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 173.1 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Color/Form: COLORLESS LIQUID Source: Hazardous Substances Data Bank (HSDB)
- Density: 0.8546 @ 16 °C/4 °C Source: Hazardous Substances Data Bank (HSDB)
- Density: 0.846-0.854 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Flash Point: 135 °F (57 °C) Source: Hazardous Substances Data Bank (HSDB)
- Melting Point: FP: -67.1 °C Source: Hazardous Substances Data Bank (HSDB)
- Melting Point: -67 °C Source: Human Metabolome Database (HMDB)
- Odor: POWERFUL, FATTY, GREEN, CITRUS ODOR Source: Hazardous Substances Data Bank (HSDB)
- Physical Description: Colorless liquid; [Hawley] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Physical Description: Colorless to yellowish liquid with a strong odor; [OECD SIDS] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Physical Description: Liquid Source: Human Metabolome Database (HMDB)
- Physical Description: Colourless slightly yellow liquid; strong fatty, green citrus-like odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: INDEX OF REFRACTION: 1.4445 @ 20 °C/D; SADTLER REF NUMBER: 1645 (IR, PRISM) Source: Hazardous Substances Data Bank (HSDB)
- Refractive Index: 1.435-1.445 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: INSOL IN WATER; SOL IN ALL PROP WITH ALCOHOL, ETHER Source: Hazardous Substances Data Bank (HSDB)
- Solubility: 3351 /mg/L @ 20 °C (exp) Source: Human Metabolome Database (HMDB)
- Solubility: Insoluble in water; soluble in oils and organic solvents Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: Miscible at room temperature (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Vapor Pressure: 0.75 [mmHg] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]; H319 (74.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 1822 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
- Note: This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1601) of reports. Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H226 (98.2%): Flammable liquid and vapor [Warning Flammable liquids]; H302 (83.5%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (83.8%): Causes skin irritation [Warning Skin corrosion/irritation]; H317 (85.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H319 (99.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 1601 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Reported as not meeting GHS hazard criteria per 1 of 1601 reports by companies.; There are 5 notifications provided by 1600 of 1601 reports by companies with hazard statement code(s).; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
- Signal: Warning Source: NITE-CMC
- GHS Hazard Statements: H226: Flammable liquid and vapor [Warning Flammable liquids]; H320: Causes eye irritation [Warning Serious eye damage/eye irritation]; H336: May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects] Source: NITE-CMC
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) Source: NITE-CMC
- NFPA Health Rating: 1 - Materials that, under emergency conditions, can cause significant irritation. Source: Hazardous Substances Data Bank (HSDB)
- NFPA Fire Rating: 2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air. Source: Hazardous Substances Data Bank (HSDB)
- NFPA Instability Rating: 0 - Materials that in themselves are normally stable, even under fire conditions. Source: Hazardous Substances Data Bank (HSDB)
- Sources/Uses: Found in oil of lemon grass; Used in organic synthesis and in perfumes and flavoring; [Hawley] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Sources/Uses: Used as flavor enhancer; [FDA] Used mainly for chemical synthesis (closed systems); Also used in cleaning agents and as a flavor or aroma additive in cosmetics and food; [OECD SIDS] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Uses: ORGANIC SYNTHESIS; INEXPENSIVE PERFUMES; SYNTHETIC FLAVORING AGENT Source: Hazardous Substances Data Bank (HSDB)
- Uses: FLAVORING AGENT IN NON-ALCOHOLIC BEVERAGES, IN ICE CREAM, ICES & CANDY, IN BAKED GOODS, IN GELATINS & PUDDINGS (ISOMERIC MIXT); CHEM INT FOR ISOMETHEPTENE (6-METHYL-5-HEPTEN-2-ONE) & VITAMIN A (6-METHYL-5-HEPTEN-2-ONE); FRAGRANCE (METHYLHEPTENONE & DERIVATIVES) Source: Hazardous Substances Data Bank (HSDB)
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.