Cyclohexanol, 1-ethynyl-, 1-propanoate
Basic information
- CAS
5445-76-1- Standard SMILES
C#CC1(OC(=O)CC)CCCCC1- InChIKey
TWHCDUFZKOKIMI-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- Cyclohexanol, 1-ethynyl-, 1-propanoate
- IUPAC
- (1-ethynylcyclohexyl) propanoate
- English name
- 1-vinylcyclohexyl propionate
- Molecular formula
- C11H18O2
- Molecular weight
- 182.25942
Names & synonyms
5445-76-1Cyclohexanol, 1-ethynyl-, propanoateCyclohexanol, 1-ethynyl-, 1-propanoateDTXSID60884161EINECS 226-653-3NSC 22258RefChem:129615DTXCID3010236261-Ethynylcyclohexyl propionate1-Vinylcyclohexyl propionateKSG4RHQ8KMNSC-22258
Show more names
1-Ethynylcyclohexanol propionate
(1-ethynylcyclohexyl) propanoate1-ETHYNYLCYCLOHEXYL PROPANOATEUNII-KSG4RHQ8KMTWHCDUFZKOKIMI-UHFFFAOYSA-NNSC22258Cyclohexanol,1-ethynyl-, 1-propanoateDS-000426
Database identifiers
- CAS
5445-76-1- PubChem CID
- 79521
- DTXSID
DTXSID60884161- UNII
- KSG4RHQ8KM
- EC Number
- 226-653-3
- Nikkaji
- J210.486E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- FDA UNII
- 4 RHQ8KM · KSG4RHQ8KM
- EPA Substance Registry System
- 1 · Cyclohexanol, 1-ethynyl-, propanoate (5445-76-1)
- TSCA
- TSCA listed
- HS Code
- 2915509000 · 2915509000
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 InformationChemical: Cyclohexanol, 1-ethynyl-, propanoate
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
- hs_code
- 2915509000
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanol, 1-ethynyl-, 1-propanoate: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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