Basic information
- CAS
25304-14-7- Standard SMILES
CC(=O)C1CCCC(C)(C)C1- InChIKey
DXIWBWIDAYBUDF-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.1357652
Overview
structure in first source
Names & identifiers
- Preferred name
- 1-(3,3-Dimethylcyclohexyl)ethanone
- IUPAC
- 1-(3,3-dimethylcyclohexyl)ethanone
- English name
- Herbac
- Molecular formula
- C10H18O
- Molecular weight
- 154.25
Names & synonyms
25304-14-7Herbac1-(3,3-dimethylcyclohexyl)ethanone3,3-Dimethylcyclohexyl methyl ketone1-(3,3-Dimethylcyclohexyl)ethan-1-oneEthanone, 1-(3,3-dimethylcyclohexyl)-MH1R8F7762DTXSID2051924RefChem:485573DTXCID7030486246-799-11-acetyl-3,3-dimethylcyclohexane
Show more names
HERBAC 90+%woody ketone3,3-Dimethyl-1-acetylcyclohexane1-(3,3-dimethylcyclohexyl)-ethanon3,3-DIMETHYL CYCLOHEXYL METHYL KETONE
UNII-MH1R8F7762EINECS 246-799-1SCHEMBL7155841-acetyl-3,3,-dimethylcyclohexane1-acetyl-3,3-dimethyl cyclohexane1-(3,3-dimethylcyclohexyl)-ethanoneAKOS0062721991-(3,3-dimethyl-cyclohexyl)-ethanone
Database identifiers
- CAS
25304-14-7- PubChem CID
- 91388
- DTXSID
DTXSID2051924- UNII
- MH1R8F7762
- EC Number
- 246-799-1
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
- 158
Experimental & physicochemical properties
FragrancesFragrance Ingredient (1-(3,3-Dimethylcyclohexyl)ethan-1-one) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 89 °C · 89 °C(Press: 14 Torr)
- Density
- 0.875 · 0.875±0.06 g/cm3(Predicted)
- Odor
- 100 % · at 100.00 %. woody herbal cedarleaf thujone minty
- Odor Type
- thujonic
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.847 · 2.847 (est)
- FDA UNII
- 1 R8F7762 · MH1R8F7762
- EPA Substance Registry System
- 1 · Ethanone, 1-(3,3-dimethylcyclohexyl)- (25304-14-7)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H411
- Precautionary statements
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 90.3% (252 of 279) of all reports.
Not Classified
Aggregated GHS information provided per 279 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Ethanone, 1-(3,3-dimethylcyclohexyl)-
Ethanone, 1-(3,3-dimethylcyclohexyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H319-H315-H411
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 1 consumer products that contain Dimethylcyclohexyl Methyl Ketone in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing InformationEthanone, 1-(3,3-dimethylcyclohexyl)-: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers14 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
杭州贵驰科技有限公司(+86 571) 2818 0696
广州和为医药科技有限公司17612033329 17612033329
BOC Sciences[email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
北京珐默兹医药科技有限公司
Related reactions
30 records
Compound notes
Loading…