Basic information
- CAS
43219-68-7- Standard SMILES
CC(=O)C1(C)CC=C(C)CC1- InChIKey
BIUSXTISNNLMOR-UHFFFAOYSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Overview
4-Acetyl-1,4-dimethyl-1-cyclohexene is a ketone.
Names & identifiers
- Preferred name
- 1,4-Dimethyl-3-cyclohexenyl methyl ketone
- IUPAC
- 1-(1,4-dimethylcyclohex-3-en-1-yl)ethanone
- English name
- 1-(1,4-dimethylcyclohex-3-en-1-yl)ethan-1-one
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
43219-68-74-Acetyl-1,4-dimethyl-1-cyclohexene1,4-Dimethyl-4-acetylcyclohexene1-(1,4-Dimethyl-3-cyclohexen-1-yl)ethanoneFEMA No. 34491,4-Dimethyl-3-cyclohexenyl methyl ketoneEthanone, 1-(1,4-dimethyl-3-cyclohexen-1-yl)-1,4-Dimethyl-4-acetyl-1-cyclohexene1,4-Dimethylcyclohex-3-enyl methyl ketoneUS73ACJ84D1,4-Dimethyl-.delta.-3-tetrahydroacetophenoneEINECS 256-150-4
Show more names
1-(1,4-Dimethylcyclohex-3-en-1-yl)ethanone
DTXSID508661181,4-Dimethyl-4-acetyl-1-cyclohexene (natural)1,4-DIMETHYL-4-ACETYL-1-CYCLOHEXENE [FHFI]1,4-DIMETHYL-3-CYCLOHEXEN-1-YL METHYL KETONERefChem:416861DTXCID608144431,4-Dimethyl-delta-3-tetrahydroacetophenone1-(1,4-Dimethylcyclohex-3-en-1-yl)ethan-1-one
Database identifiers
- CAS
43219-68-7- PubChem CID
- 65289
- DTXSID
DTXSID50866118- ChEBI
CHEBI:171953- UNII
- US73ACJ84D
- EC Number
- 256-150-4
- Nikkaji
- J89.508C
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 203
Experimental & physicochemical properties
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C10 isoprenoids (monoterpenes) [PR0102]
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.930-0.936
Solubility(in ethanol)
Boiling Point
208.00 to 211.00 °C. @ 760.00 mm Hg
208-211 °C
Refractive Index1.468-1.473
Physical Descriptioncolourless liquid
Physicochemical properties
- Boiling point
- 205.2 · 205.2±29.0 °C(Predicted)
- Density
- 0.909 · 0.909±0.06 g/cm3(Predicted)
- FEMA
- 3449 · 3449 | 1,4-DIMETHYL-4-ACETYL-1-CYCLOHEXENE
- Odor
- fruity
- Odor Type
- fruity
- JECFA Number
- 402 · 402
- LogP
- 2.73 · 2.73
- Substances Added to Food (formerly EAFUS)
- 1 · 1,4-DIMETHYL-4-ACETYL-1-CYCLOHEXENE
- FDA UNII
- 73 ACJ84D · US73ACJ84D
- EPA Substance Registry System
- 1 · Ethanone, 1-(1,4-dimethyl-3-cyclohexen-1-yl)- (43219-68-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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.
Hazard information
Regulatory Information
Chemical: Ethanone, 1-(1,4-dimethyl-3-cyclohexen-1-yl)-
Ethanone, 1-(1,4-dimethyl-3-cyclohexen-1-yl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationEthanone, 1-(1,4-dimethyl-3-cyclohexen-1-yl)-: INACTIVE
Applications
OccurrenceReported found in origanum and juniper berry
Suppliers2 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
Additional notes
DefinitionChEBI: 4-Acetyl-1,4-dimethyl-1-cyclohexene is a ketone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…