4-Carbethoxy-2-ethyl-3-methyl-2-cyclohexen-1-one
Basic information
- CAS
51051-65-1- Standard SMILES
CCOC(=O)C1CCC(=O)C(CC)=C1C- InChIKey
IEYKXGXKWXIBIG-UHFFFAOYSA-N- Molecular formula
- C12H18O3
- Average molar mass
- 210.27 g/mol
- Monoisotopic mass
- 210.12559443
Names & identifiers
- Preferred name
- 4-Carbethoxy-2-ethyl-3-methyl-2-cyclohexen-1-one
- IUPAC
- ethyl 3-ethyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylate
- English name
- 4-Carbethoxy-2-ethyl-3-methyl-2-cyclohexen-1-one
- Molecular formula
- C12H18O3
- Molecular weight
- 210.27
Names & synonyms
51051-65-14-Carbethoxy-2-ethyl-3-methyl-2-cyclohexen-1-oneethyl 3-ethyl-2-methyl-4-oxocyclohex-2-ene-1-carboxylateethyl 3-ethyl-2-methyl-4-oxocyclohex-2-enecarboxylateMFCD00001579EINECS 256-936-7NSC331804ETHYL HAGEMANN'S ESTERSCHEMBL29191688Ethyl 3-ethyl-2-methyl-4-oxo(cyclohex-2-ene)carboxylateIEYKXGXKWXIBIG-UHFFFAOYSA-NDTXSID801199220
Show more names
2-ETHYL-HAGEMANN'S ESTER4-carbamoyl-1-piperazinecarboxylic acid2-Ethyl-4-(ethoxycarbonyl)-3-methyl-2-cyclohexene-1-oneETHYL 3-ETHYL-2-METHYL-4-OXO-2-CYCLOHEXENE-1-CARBOXYLATE4-CARBETHOXY-2-ETHYL-3-METHYL-2-CYCLO-HE XEN-1-ONE, TECH.3-Ethyl-2-methyl-4-oxo-2-cyclohexene-1-carboxylic acid ethyl ester2-Methyl-3-ethyl-4-oxo-2-cyclohexene-1-carboxylic acid ethyl ester
SBB057322AKOS000119918NSC 331804NSC-331804DB-051890CS-0453134ST50308037G84009
Database identifiers
- CAS
51051-65-1- PubChem CID
- 100071
- DTXSID
DTXSID801199220- EC Number
- 256-936-7
- Nikkaji
- J261.621A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Density
- 1.037 g/mL · 1.037 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.488(lit.)
- Flash point
- 230 °F · >230 °F
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-42/43
- Safety Statements
- 24 · 24/25-36-22
- WGK Germany
- 3 · 3
- HS Code
- 2918300090 · 2918300090
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
- wgk
- 3
- hs_code
- 2918300090
- risk_code
- 20/21/22-42/43
- hazard_code
- Xn
- safety_code
- 24/25-36-22
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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