Basic information
- CAS
63573-84-2- Standard SMILES
CCCC(OC(C)=O)C1CCCCC1- InChIKey
VEDJYUOPZNJAGT-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- Cyclohexanemethanol, alpha-propyl-, 1-acetate
- IUPAC
- 1-cyclohexylbutyl acetate
- English name
- alpha-propylcyclohexylmethyl acetate
- Molecular formula
- C12H22O2
- Molecular weight
- 198.3
Names & synonyms
63573-84-2EINECS 264-327-2Cyclohexanemethanol, alpha-propyl-, acetateCyclohexanemethanol, alpha-propyl-, 1-acetateDTXSID70886297Cyclohexanemethanol, .alpha.-propyl-, 1-acetateRefChem:129589DTXCID201025631alpha-Propylcyclohexylmethyl acetate1-cyclohexylbutyl acetateCyclohexanemethanol, .alpha.-propyl-, acetateVEDJYUOPZNJAGT-UHFFFAOYSA-N
Show more names
α-propylcyclohexylmethyl acetateAcetic acid 1-cyclohexylbutyl esterCyclohexanemethanol, α-propyl-, 1-acetate
DB-318611
Database identifiers
- CAS
63573-84-2- PubChem CID
- 112697
- DTXSID
DTXSID70886297- EC Number
- 264-327-2
- Nikkaji
- J349.263J
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 85 · 85-86.2 °C(Press: 2 Torr)
- Density
- 0.937 · 0.937±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- EPA Substance Registry System
- Cyclohexanemethanol, .alpha.-propyl-, acetate (63573-84-2)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanemethanol, .alpha.-propyl-, 1-acetate: INACTIVE
Suppliers1 total
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…