Basic information
- CAS
6090-09-1- Standard SMILES
CC(=O)C1CC=C(C)CC1- InChIKey
HOBBEYSRFFJETF-UHFFFAOYSA-N- Molecular formula
- C9H14O
- Average molar mass
- 138.21 g/mol
- Monoisotopic mass
- 138.10446507
Overview
4-Acetyl-1-methylcyclohexene is a ketone.
Names & identifiers
- Preferred name
- 4-Acetyl-1-methylcyclohexene
- IUPAC
- 1-(4-methylcyclohex-3-en-1-yl)ethanone
- English name
- 4-acetyl-1-methyl-1-cyclohexene
- Molecular formula
- C9H14O
- Molecular weight
- 138.21
Names & synonyms
6090-09-14-Acetyl-1-methylcyclohexene1-(4-methylcyclohex-3-en-1-yl)ethan-1-oneX7R8GY320M1-(4-METHYL-3-CYCLOHEXEN-1-YL)-ETHANONEFEMA NO. 4827DTXSID20867915AMCH cpdRefChem:425840DTXCID20816064833-278-44-Acetyl-1-methyl-1-cyclohexene
Show more names
1-Methyl-4-acetylcyclohexeneMethyl(4-methyl-3-cyclohexenyl) ketone4-Methyl-3-cyclohexen-1-yl methyl ketone1-Methyl-1-cyclohexene-4-yl(methyl) ketone4'-Methyl-1',2',3',6'-tetrahydroacetophenone
1-(4-methylcyclohex-3-en-1-yl)ethanone1-(4-Methyl-3-cyclohexen-1-yl)ethanoneLimona ketoneEthanone, 1-(4-methyl-3-cyclohexen-1-yl)-MFCD000106121-Methyl-4-acetyl-1-cyclohexeneCyclohexene, 1-methyl-4-acetylCyclohexene, 4-acetyl-1-methyl
Database identifiers
- CAS
6090-09-1、70286-20-3- PubChem CID
- 93019
- DTXSID
DTXSID20867915- ChEMBL
CHEMBL1990994- ChEBI
CHEBI:168849- UNII
- X7R8GY320M
- EC Number
- 833-278-4
- Nikkaji
- J47.859H
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Boiling point
- 189.5 · 189.5±0.0℃ (760 Torr)
- Density
- 0.9385 g/cm3 · 0.9385 g/cm3 (20 ºC)
- refractive index
- 1.471 · 1.4710 (589.3 nm 20℃)
- FEMA
- 4827 · 4827 | 1-(4-METHYL-3-CYCLOHEXEN-1-YL)-ETHANONE
- Flash point
- 76.7 · 76.7±0.0℃
- storage temp.
- Sealed in dry,Room Temperature
- LogP
- 2.19 · 2.190 (est)
- FDA UNII
- 7 R8GY320M · X7R8GY320M
- EPA Substance Registry System
- 4 · 4-Acetyl-1-methylcyclohexene (6090-09-1)
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H228
- Precautionary statements
- 240 · P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H227 (33.3%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesFlam. Liq. 4 (33.3%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H315-H319-H228
- Precautionary statements
- P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
General Manufacturing InformationEthanone, 1-(4-methyl-3-cyclohexen-1-yl)-: ACTIVE
Applications
Uses1-(4-methyl-3-cyclohexen-1-yl)ethanone is an essential oil found in Cedrus atlantica wood and orange peels.
Upstream & downstream products
Upstream raw materials
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Additional notes
DefinitionChEBI: 4-Acetyl-1-methylcyclohexene is a ketone.
Related reactions
2 records
Compound notes
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