Basic information
- CAS
13487-27-9- Standard SMILES
CC(=O)OC(C)C1CCCCC1- InChIKey
JAVZALBKNIHSLL-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067982
Names & identifiers
- Preferred name
- Cyclohexylmethylcarbinyl acetate
- IUPAC
- 1-cyclohexylethyl acetate
- English name
- alpha-methylcyclohexylmethyl acetate
- Molecular formula
- C10H18O2
- Molecular weight
- 170.25
Names & synonyms
1-cyclohexylethyl acetate13487-27-9Cyclohexylmethylcarbinyl acetate07O60RIB6RCyclohexanemethanol, .alpha.-methyl-, acetateEINECS 236-798-4Cyclohexanemethanol, alpha-methyl-, acetateDTXSID7051688Cyclohexanemethanol, alpha-methyl-, 1-acetateCyclohexanemethanol, .alpha.-methyl-, 1-acetateRefChem:580875DTXCID0030243
Show more names
α-Methylcyclohexylmethyl acetateAcetic acid 1-cyclohexylethyl esterCyclohexanemethanol, α-methyl-, 1-acetate
alpha-Methylcyclohexylmethyl acetateUNII-07O60RIB6RSCHEMBL697312SCHEMBL8735071-cyclohexylethan-1-yl acetate(r,s)-1-cyclohexylethyl acetatecyclohexyl methyl carbinyl acetateNS00012870
Database identifiers
- CAS
13487-27-9- PubChem CID
- 114533
- DTXSID
DTXSID7051688- UNII
- 07O60RIB6R
- EC Number
- 236-798-4
- Nikkaji
- J160.109A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 148
Experimental & physicochemical properties
FragrancesFragrance Ingredient (.alpha.-Methylcyclohexylmethyl acetate) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 215.7 ℃[at · 215.7℃[at 101 325 Pa]
- Density
- 0.948 · 0.948[at 20℃]
- vapor pressure
- 38.5 Pa · 38.5Pa at 24℃
- Water Solubility
- 43 mg/L · 43mg/L at 24℃
- Cosmetics Ingredients Functions
- FRAGRANCEPERFUMING
- LogP
- 3.2 at · 3.2 at 25℃
- FDA UNII
- 7 O60RIB6R · 07O60RIB6R
- EPA Substance Registry System
- Cyclohexanemethanol, .alpha.-methyl-, acetate (13487-27-9)
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (235 of 235) of all reports.
Not Classified
Aggregated GHS information provided per 235 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Cyclohexanemethanol, .alpha.-methyl-, acetate
Status: Active Update: 19-04-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19641
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationCyclohexanemethanol, .alpha.-methyl-, 1-acetate: ACTIVE
Suppliers4 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
扬州瑞宏生物科技有限公司0514-015380367604 15380367604 · [email protected]
LYSCHEM International LLC13911018262 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
2 records
Compound notes
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