Basic information
- CAS
68797-74-0- Standard SMILES
CCCCCC(=O)OC1CCC(C(C)(C)C)CC1- InChIKey
BSARXNDZALPCHW-UHFFFAOYSA-N- Molecular formula
- C16H30O2
- Average molar mass
- 254.41 g/mol
- Monoisotopic mass
- 254.2245802
Names & identifiers
- Preferred name
- Hexanoic acid, 4-(1,1-dimethylethyl)cyclohexyl ester
- IUPAC
- (4-tert-butylcyclohexyl) hexanoate
- English name
- 4-(isobutyl)cyclohexyl hexanoate
- Molecular formula
- C16H30O2
- Molecular weight
- 254.41
Names & synonyms
EINECS 272-315-3NSC 24747Hexanoic acid, 4-(1,1-dimethylethyl)cyclohexyl esterRefChem:7873804-tert-Butylcyclohexyl hexanoatep-t-Butylcyclohexyl caproate68797-74-04-(Isobutyl)cyclohexyl hexanoateSCHEMBL1867867DTXSID0071754BSARXNDZALPCHW-UHFFFAOYSA-NNSC24747
Show more names
4-tert-butyl cyclohexyl hexanoateHexanoic acid 4-(1,1-dimethylethyl)cyclohexyl ester
NSC-24747NS00036697Hexanoic acid,1-dimethylethyl)cyclohexyl ester
Database identifiers
- CAS
68797-74-0- PubChem CID
- 95227
- DTXSID
DTXSID0071754- EC Number
- 272-315-3
- Nikkaji
- J308.319E
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Boiling point
- 288.3 · 288.3±8.0 °C(Predicted)
- Density
- 0.91 · 0.91±0.1 g/cm3(Predicted)
- LogP
- 6.095 · 6.095 (est)
- EPA Substance Registry System
- 4 · 4-tert-Butylcyclohexyl hexanoate (68797-74-0)
- 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 InformationHexanoic acid, 4-(1,1-dimethylethyl)cyclohexyl ester: INACTIVE
Suppliers1 total
BOC Sciences[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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