Ethanone, 1-(3,3-dimethyl-1-cyclohexen-1-yl)-
Basic information
- CAS
22463-19-0- Standard SMILES
CC(=O)C1=CC(C)(C)CCC1- InChIKey
JIYZCVGAWRMUDR-UHFFFAOYSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Names & identifiers
- Preferred name
- Ethanone, 1-(3,3-dimethyl-1-cyclohexen-1-yl)-
- IUPAC
- 1-(3,3-dimethylcyclohexen-1-yl)ethanone
- English name
- Ethanone, 1-(3,3-dimethyl-1-cyclohexen-1-yl)-
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
22463-19-0Ethanone, 1-(3,3-dimethyl-1-cyclohexen-1-yl)-Acetyl-1-(dimethyl-3,3-cyclohexene-1)DTXSID2066802RefChem:592455DTXCID10367071-(3,3-dimethylcyclohexen-1-yl)ethanone1-(3,3-dimethylcyclohex-1-en-1-yl)ethanone1-(3,3-dimethylcyclohex-1-en-1-yl)ethan-1-oneSCHEMBL442745JIYZCVGAWRMUDR-UHFFFAOYSA-NDB-286985
Show more names
1-(3',3'-dimethylcyclohex-1'-enyl)ethanoneEthanon, 1-(3,3-dimethyl-1-cyclohexen-1-yl)-
NS00012289
Database identifiers
- CAS
22463-19-0- PubChem CID
- 89724
- DTXSID
DTXSID2066802- EC Number
- 639-007-4
- Nikkaji
- J1.606.026G
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 199
Physicochemical properties
- Boiling point
- 218.1 · 218.1±19.0 °C(Predicted)
- Density
- 0.909 · 0.909±0.06 g/cm3(Predicted)
- Odor
- armoise oil
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.564 · 2.564 (est)
- EPA Substance Registry System
- 1 · Ethanone, 1-(3,3-dimethyl-1-cyclohexen-1-yl)- (22463-19-0)
- 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 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Ethanone, 1-(3,3-dimethyl-1-cylcohexen-1-yl)-
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Ethanone, 1-(3,3-dimethyl-1-cyclohexen-1-yl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Ethanone, 1-(3,3-dimethyl-1-cylcohexen-1-yl)-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanone, 1-(3,3-dimethyl-1-cyclohexen-1-yl)-: ACTIVE
Suppliers
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Related reactions
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Compound notes
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