CAS 102322-83-8PubChem CID 5362588
5-Methyl-2-hepten-4-one
- IUPAC name
- (E)-5-methylhept-2-en-4-one
- Molecular formula
- C8H14O
- Molecular weight
- 126.20 g/mol
- Exact mass
- 126.104465066 Da
- XLogP3
- 2.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 1
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
5-methylhept-2-en-4-oneFEMA No. 37612-Hepten-4-one, 5-methyl-, (E)-8K2S58736FRefChem:103119617-270-62-Hepten-4-one, 5-methyl-(+/-)-Filbertone
16 more reported names
(E)-5-Methyl-2-hepten-4-one5-Methyl-(E)-2-hepten-4-one(2E)-5-Methyl-2-hepten-4-one5-Methyl-2-hepten-4-one [FHFI](+/-)-5-Methyl-2-hepten-4-one5-Methyl-2-hepten-4-one, (+/-)-2-Hepten-4-one, 5-methyl-, (2E)-UNII-8K2S58736F5-Methyl-2-hepten-4-one, predominantly trans(2E)-5-methylhept-2-en-4-oneFilbertone, (.+/-.)-CS-W013495HY-W012779AC-33764AS-761355-Methyl-2-hepten-4-one, predominantly trans, 98%, FG
External database identifiers
- EPA DTXSID:DTXSID401017670
Evidence from additional scientific databases
NIH PubChem PUG-View
Exact identifier match5362588
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 86-87 °C (60 mm Hg) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.845-0.852 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Physical Description: Colourless liquid; hazelnut, metallic, buttey odour Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.440-1.445 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: slightly soluble in water; soluble in oils 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)
- Note: This chemical does not meet GHS hazard criteria for 0.3% (1 of 375) of reports. Source: European Chemicals Agency (ECHA)
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H226 (16.5%): Flammable liquid and vapor [Warning Flammable liquids]; H315 (88.3%): Causes skin irritation [Warning Skin corrosion/irritation]; H317 (88%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H319 (88.3%): 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, P272, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, 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 375 reports by companies from 10 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 375 reports by companies.; There are 9 notifications provided by 374 of 375 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)
- GHS Hazard Statements: H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]; H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P280, P301+P317, P302+P352, P303+P361+P353, P321, P330, P332+P317, P333+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: The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. Source: European Chemicals Agency (ECHA)
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 |
|---|---|---|
| EMBL-EBI ChEBI | No exact record | 2026-08-31 |
| 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.