Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-propanoate
Basic information
- CAS
10411-93-5- Standard SMILES
CCC(=O)OC1CCC(C(C)(C)C)CC1- InChIKey
QYJZYJNCDKAFJR-UHFFFAOYSA-N- Molecular formula
- C13H24O2
- Average molar mass
- 212.33 g/mol
- Monoisotopic mass
- 212.17763
Names & identifiers
- Preferred name
- Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-propanoate
- IUPAC
- (4-tert-butylcyclohexyl) propanoate
- English name
- cis-4-tert-butylcyclohexyl propionate
- Molecular formula
- C13H24O2
- Molecular weight
- 212.33
Names & synonyms
p-t-Butylcyclohexyl propionate68797-70-6EINECS 272-311-1DTXSID50887505Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-propanoateRefChem:129629DTXCID90102679710411-93-5cis-4-tert-Butylcyclohexyl propionate10411-95-7Cyclohexanol, 4-(1,1-dimethylethyl)-, propanoate4-tert-Butylcyclohexyl propionate
Show more names
(1α)-4α-tert-Butyl-cyclohexanol propanoate
(4-tert-butylcyclohexyl) propanoateEINECS 233-882-2EINECS 233-883-8trans-4-tert-Butylcyclohexyl propionate4-TERT-BUTYLCYCLOHEXYL PROPANOATE(1r,4r)-4-tert-butylcyclohexyl propanoate(1s,4s)-4-tert-butylcyclohexyl propanoateSCHEMBL3363236
Database identifiers
- CAS
10411-93-5、10411-95-7、68797-70-6- PubChem CID
- 82610
- DTXSID
DTXSID50887505- EC Number
- 233-882-2、233-883-8、272-311-1
- Nikkaji
- J236.814E、J236.815C、J308.315B
Properties
Computed structural properties
- XLogP
- 3.8
- 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
- 207
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 239.6 · 239.6±8.0 °C(Predicted)
- Density
- 0.9292 g/cm3 · 0.9292 g/cm3
- LogP
- 4.488 · 4.488 (est)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationCyclohexanol, 4-(1,1-dimethylethyl)-, propanoate: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanol, 4-(1,1-dimethylethyl)-, 1-propanoate: INACTIVE
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…