Basic information
- CAS
72797-27-4- Standard SMILES
CCOC(=O)C1=C(C)CCCC1(C)C- InChIKey
HTOAQPONCSAVNJ-UHFFFAOYSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Names & identifiers
- Preferred name
- 1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester
- IUPAC
- ethyl 2,6,6-trimethylcyclohexene-1-carboxylate
- English name
- Ethyl B-cyclogeranate
- Molecular formula
- C12H20O2
- Molecular weight
- 196.29
Names & synonyms
72797-27-4Ethyl beta-cyclogeranate1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl esterDTXSID9072602RefChem:431626DTXCID8047347ETHYL 2,6,6-TRIMETHYLCYCLOHEX-1-ENE-1-CARBOXYLATEEthyl beta-cyclogeraniate1-Methylcyclohexene, 2-carbethoxy-3,3-dimethyl-Ethyl 2,6,6-trimethyl-1-cyclohexene-1-carboxylate #Ethyl B-cyclogeranate2,6,6-Trimethyl-1-cyclohexene-1-carboxylic acid ethyl ester
Database identifiers
- CAS
72797-27-4- PubChem CID
- 175173
- DTXSID
DTXSID9072602- Nikkaji
- J447.199G
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- LogP
- 4.135 · 4.135 (est)
- EPA Substance Registry System
- 1 · 1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester (72797-27-4)
- 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 Information1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester: ACTIVE
Suppliers1 total
安徽今昱生物化工产品技术研发有限公司055167162561 13295518198
Related reactions
1 records
Compound notes
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