CAS 127-43-5PubChem CID 5375218
Beta methyl ionone
1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-penten-3-one is a monoterpene. — ChEBI
- IUPAC name
- (E)-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-one
- Molecular formula
- C14H22O
- Molecular weight
- 206.32 g/mol
- Exact mass
- 206.167065321 Da
- XLogP3
- 3.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 1
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
beta-Methyliononebeta-Iraldeinebeta-Methyl iononeMethyl-beta-ionone.beta.-MethyliononeMethyl-.beta.-iononeCetone, beta-beta-Ionone, methyl-
16 more reported names
FEMA No. 27121-PENTEN-3-ONE, 1-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-54PXU8D4R5(E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one5-(2,6,6-Trimethyl-1-cyclohexenyl)-4-penten-3-one.BETA.-CETONEEINECS 204-843-7EINECS 215-341-2EINECS 264-140-61322-71-0NSC 163995NSC-163995.BETA.-METHYL IONONEAI3-24259EC 264-140-63-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, monomethyl deriv.
External database identifiers
- ChEBI:CHEBI:88921
- EPA DTXSID:DTXSID401036355
Evidence from additional scientific databases
NIH PubChem PUG-View
Exact identifier match5375218
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 102.00 °C. @ 2.60 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 238-242 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.930-0.935 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Physical Description: Liquid Source: EPA Chemical Data Reporting (CDR)
- Physical Description: colourless to yellow liquid Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.503-1.508 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P261, P264, P272, P273, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P391, 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 2 reports by companies from 1 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)
- Signal: Warning Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
- GHS Hazard Statements: H315: Causes skin irritation [Warning Skin corrosion/irritation]; H317: May cause an allergic skin reaction [Warning Sensitization, Skin] Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
- Precautionary Statement Codes: P261, P264, P272, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, and P501 (click each P-code to see the statement) Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
- Consumer Uses: Fragrance Source: EPA Chemical Data Reporting (CDR)
- Industry Uses: Fragrance Source: EPA Chemical Data Reporting (CDR)
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 2026-09-02 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.