Basic information
- CAS
72230-92-3- Standard SMILES
C#CC1(OC(=O)C(C)C)CCCCC1- InChIKey
XORMBOZPLKMQMZ-UHFFFAOYSA-N- Molecular formula
- C12H18O2
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.13067981
Names & identifiers
- Preferred name
- Propanoic acid, 2-methyl-, 1-ethynylcyclohexyl ester
- IUPAC
- (1-ethynylcyclohexyl) 2-methylpropanoate
- English name
- 1-ethynylcyclohexyl isobutyrate
- Molecular formula
- C12H18O2
- Molecular weight
- 194.27012
Names & synonyms
1-Ethynylcyclohexanol isobutyrateEINECS 276-498-0Propanoic acid, 2-methyl-, 1-ethynylcyclohexyl esterRefChem:8692921-Ethynlcyclohexyl isobutyrate72230-92-31-Ethynylcyclohexyl isobutyrate1-ETHYNYLCYCLOHEXYL 2-METHYLPROPANOATEDTXSID2072540SCHEMBL12361564XORMBOZPLKMQMZ-UHFFFAOYSA-NNS00037346
Show more names
2-Methylpropanoic acid 1-ethynylcyclohexyl esterPropanoic acid,2-methyl-, 1-ethynylcyclohexyl ester
Database identifiers
- CAS
72230-92-3- PubChem CID
- 166259
- DTXSID
DTXSID2072540- EC Number
- 276-498-0
- Nikkaji
- J299.056C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Ethynlcyclohexyl isobutyrate (72230-92-3)
- 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 InformationChemical: Propanoic acid, 2-methyl-, 1-ethynylcyclohexyl ester
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 InformationPropanoic acid, 2-methyl-, 1-ethynylcyclohexyl ester: INACTIVE
Suppliers2 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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