2-Cyclohexene-1-carboxylic acid, 2-methyl-6-(1-methylethyl)-4-oxo-, ethyl ester
Basic information
- CAS
24079-95-6- Standard SMILES
CCOC(=O)C1C(C)=CC(=O)CC1C(C)C- InChIKey
QBMOPULUXAKJTR-UHFFFAOYSA-N- Molecular formula
- C13H20O3
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.1412445
Names & identifiers
- Preferred name
- 2-Cyclohexene-1-carboxylic acid, 2-methyl-6-(1-methylethyl)-4-oxo-, ethyl ester
- IUPAC
- ethyl 2-methyl-4-oxo-6-propan-2-ylcyclohex-2-ene-1-carboxylate
- English name
- ethyl 6-(isopropyl)-2-methyl-4-oxocyclohex-2-ene-1-carboxylate
- Molecular formula
- C13H20O3
- Molecular weight
- 224.3
Names & synonyms
3-Methyl-5-isopropyl-4-carbethoxy-2-cyclohexene-1-one2-Cyclohexene-1-carboxylic acid, 2-methyl-6-(1-methylethyl)-4-oxo-, ethyl esterEINECS 246-010-0NSC 10159m-Menth-6-ene-2-carboxylic acid, 5-oxo-, ethyl esterAI3-06533DTXSID60885254RefChem:470878DTXCID201024645m-Menth-6-ene-2-carboxylic acid, 5-oxo-, ethyl ester (8CI)24079-95-6ETHYL 6-ISOPROPYL-2-METHYL-4-OXOCYCLOHEX-2-ENE-1-CARBOXYLATE
Show more names
methyl 2-methyl-4-oxocyclohex-2-ene-1-carboxylate2-Methyl-6-(1-methylethyl)-4-oxo-2-cyclohexene-1-carboxylic acid ethyl ester
MFCD00482052ethyl 2-methyl-4-oxo-6-(propan-2-yl)cyclohex-2-ene-1-carboxylateethyl 2-methyl-4-oxo-6-propan-2-ylcyclohex-2-ene-1-carboxylateEthyl 6-(isopropyl)-2-methyl-4-oxocyclohex-2-ene-1-carboxylateEthyl 6-Isopropyl-2-methyl-4-oxo-2-cyclohexenecarboxylateEthyl 2-methyl-6-(1-methylethyl)-4-oxo-2-cyclohexene-1-carboxylateNSC-10159ethyl 6-isopropyl-2-methyl-4-oxocyclohex-2-enecarboxylate
Database identifiers
- CAS
24079-95-6- PubChem CID
- 91120
- DTXSID
DTXSID60885254- UNII
- R7FPA26UU8
- EC Number
- 246-010-0
- Nikkaji
- J242.729J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Boiling point
- 148 · 148-151 °C(Press: 10 Torr)
- Density
- 1.017 · 1.017±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- EPA Substance Registry System
- 2 · 2-Cyclohexene-1-carboxylic acid, 2-methyl-6-(1-methylethyl)-4-oxo-, ethyl ester (24079-95-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Cyclohexene-1-carboxylic acid, 2-methyl-6-(1-methylethyl)-4-oxo-, ethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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