Basic information
- CAS
72183-75-6- Standard SMILES
CCC(C)C1CCCCC1(C)OC(C)=O- InChIKey
NRQHBELEOZLJOJ-UHFFFAOYSA-N- Molecular formula
- C13H24O2
- Average molar mass
- 212.33 g/mol
- Monoisotopic mass
- 212.17763
Names & identifiers
- Preferred name
- Cyclohexanol, 1-methyl-2-(1-methylpropyl)-, 1-acetate
- IUPAC
- (2-butan-2-yl-1-methylcyclohexyl) acetate
- English name
- 1-methyl-2-(1-methylpropyl)cyclohexyl acetate
- Molecular formula
- C13H24O2
- Molecular weight
- 212.33
Names & synonyms
72183-75-6EINECS 276-442-5Cyclohexanol, 1-methyl-2-(1-methylpropyl)-, acetateCyclohexanol, 1-methyl-2-(1-methylpropyl)-, 1-acetateDTXSID70868098RefChem:129617DTXCID908162381-Methyl-2-(1-methylpropyl)cyclohexyl acetate(2-butan-2-yl-1-methylcyclohexyl) acetate2-(butan-2-yl)-1-methylcyclohexyl acetateSCHEMBL7539751NRQHBELEOZLJOJ-UHFFFAOYSA-N
Show more names
Acetic acid 1-methyl-2-(1-methylpropyl)cyclohexyl ester
methyl methyl propyl cyclohexyl acetateNS00012927
Database identifiers
- CAS
72183-75-6- PubChem CID
- 166247
- DTXSID
DTXSID70868098- EC Number
- 276-442-5
- Nikkaji
- J299.044J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 225
Experimental & physicochemical properties
FragrancesFragrance Ingredient (1-Methyl-2-(1-methylpropyl)cyclohexyl acetate) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 238.9 · 238.9±8.0 °C(Predicted)
- Density
- 0.92 · 0.92±0.1 g/cm3(Predicted)
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 4.536 · 4.536 (est)
- EPA Substance Registry System
- 1 · Cyclohexanol, 1-methyl-2-(1-methylpropyl)-, acetate (72183-75-6)
- 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 99.2% (1364 of 1375) of all reports.
Not Classified
Aggregated GHS information provided per 1375 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Cyclohexanol, 1-methyl-2-(1-methylpropyl)-, acetate
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Other Safety InformationIMAP assessments - Cyclohexanol, 1-methyl-2-(1-methylpropyl)-, acetate: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationCyclohexanol, 1-methyl-2-(1-methylpropyl)-, 1-acetate: ACTIVE
Suppliers2 total
上海问彩新材料科技有限公司15721586846 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…