Basic information
- CAS
68039-42-9- Standard SMILES
CC(C)(C)C1CCC(OC=O)CC1- InChIKey
ZIIKTNCFALFPNK-UHFFFAOYSA-N- Molecular formula
- C11H20O2
- Average molar mass
- 184.27 g/mol
- Monoisotopic mass
- 184.14632988
Names & identifiers
- Preferred name
- Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-formate
- IUPAC
- (4-tert-butylcyclohexyl) formate
- English name
- 4-(1,1-dimethylethyl)cyclohexyl formate
- Molecular formula
- C11H20O2
- Molecular weight
- 184.28
Names & synonyms
4-t-Butylcyclohexyl formateEINECS 268-258-9Cyclohexanol, 4-(1,1-dimethylethyl)-, formateCyclohexanol, 4-(1,1-dimethylethyl)-, 1-formateDTXSID10867449NSC 21826RefChem:580670DTXCID4081563568039-42-94-(1,1-Dimethylethyl)cyclohexyl formatep-t-Butylcyclohexyl formate4-tert-butylcyclohexyl formate
Show more names
Cyclodecyl formateFormic acid 4-tert-butylcyclohexyl ester
SCHEMBL503730SCHEMBL813577ZIIKTNCFALFPNK-UHFFFAOYSA-NNSC21826NSC-21826P-TERT-BUTYLCYCLOHEXYL FORMATECyclohexanol,1-dimethylethyl)-, formateNS00063157
Database identifiers
- CAS
68039-42-9- PubChem CID
- 95173
- DTXSID
DTXSID10867449- EC Number
- 268-258-9
- Nikkaji
- J183.094E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Boiling point
- 229.3 · 229.3±7.0 °C(Predicted)
- Density
- 0.93 · 0.93±0.1 g/cm3(Predicted)
- LogP
- 3.649 · 3.649 (est)
- EPA Substance Registry System
- 4 · Cyclohexanol, 4-(1,1-dimethylethyl)-, formate (68039-42-9)
- 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.
Hazard information
Regulatory Information
Chemical: Cyclohexanol, 4-(1,1-dimethylethyl)-, formate
Cyclohexanol, 4-(1,1-dimethylethyl)-, formate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanol, 4-(1,1-dimethylethyl)-, 1-formate: INACTIVE
Upstream & downstream products
Downstream products
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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