Basic information
- CAS
3742-81-2- Standard SMILES
CCC1(OC(C)=O)CCCCC1- InChIKey
XNXQRDXUIDHJNY-UHFFFAOYSA-N- Molecular formula
- C10H18O2
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.13067981
Names & identifiers
- Preferred name
- Cyclohexanol, 1-ethyl-, 1-acetate
- IUPAC
- (1-ethylcyclohexyl) acetate
- English name
- 1-ethylcyclohexyl acetate
- Molecular formula
- C10H18O2
- Molecular weight
- 170.24872
Names & synonyms
Cyclohexanol, 1-ethyl-, acetate3742-81-2Cyclohexanol, 1-ethyl-, 1-acetateEINECS 223-134-3DTXSID90863267RefChem:580626DTXCID408119151-Ethylcyclohexyl acetateethyl acetate=cyclohexane1-Ethylcyclohexyl acetate #H3W26LWZ9DSCHEMBL440062
Show more names
1-Ethylcyclohexanol acetateAcetic acid 1-ethylcyclohexyl ester
SCHEMBL4076143NS00045800
Database identifiers
- CAS
3742-81-2- PubChem CID
- 77346
- DTXSID
DTXSID90863267- UNII
- H3W26LWZ9D
- EC Number
- 223-134-3
- Nikkaji
- J174.560C
Properties
Computed structural properties
- XLogP
- 2.6
- 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
- 157
Physicochemical properties
- EPA Substance Registry System
- 1 · Cyclohexanol, 1-ethyl-, acetate (3742-81-2)
- 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 InformationCyclohexanol, 1-ethyl-, 1-acetate: INACTIVE
Related reactions
2 records
Compound notes
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