Ethyl 6-Methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers)
Basic information
- CAS
3419-32-7- Standard SMILES
CCOC(=O)C1C(=O)C=CCC1C- InChIKey
CFQIYLYEYJYZEO-UHFFFAOYSA-N- Molecular formula
- C10H14O3
- Average molar mass
- 182.22 g/mol
- Monoisotopic mass
- 182.0942943
Names & identifiers
- Preferred name
- Ethyl 6-Methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers)
- IUPAC
- ethyl 6-methyl-2-oxocyclohex-3-ene-1-carboxylate
- English name
- 6-Methyl-2-oxo-3-cyclohexene-1-carboxylic acid ethyl ester
- Molecular formula
- C10H14O3
- Molecular weight
- 182.22
Names & synonyms
ETHYL 6-METHYL-2-OXO-3-CYCLOHEXENE-1-CARBOXYLATE (MIXTURE OF ISOMERS)RefChem:595960680-027-83419-32-7ethyl 6-methyl-2-oxocyclohex-3-enecarboxylateEthyl 3-Methyl-5-cyclohexen-1-one-2-carboxylateethyl 6-methyl-2-oxocyclohex-3-ene-1-carboxylateEthyl 6-methyl-2-oxo-3-cyclohexene-1-carboxylate6-Methyl-2-oxo-3-cyclohexene-1-carboxylic Acid Ethyl EsterMFCD001341533-Cyclohexene-1-carboxylic acid, 6-methyl-2-oxo-, ethyl esterSCHEMBL7727816
Show more names
3-Cyclohexene-1-carboxylicacid, 6-methyl-2-oxo-, ethyl esterEthyl6-Methyl-2-oxo-3-cyclohexene-1-carboxylate(mixtureofisomers)>Ethyl 6-Methyl-2-oxo-3-cyclohexene-1-carboxylate (mixture of isomers)ETHYL 6-METHYL-2-OXO-3-CYCLOHEXENE-1-CAR BOXYLATE, 95%, MIXTURE OF ISOMERSEthyl 3-Methyl-5-cyclohexen-1-one-2-carboxylate 6-Methyl-2-oxo-3-cyclohexene-1-carboxylic Acid Ethyl Ester
CFQIYLYEYJYZEO-UHFFFAOYSA-DTXSID30338500DAA41932AKOS024365008BS-44056SY052548CS-0210280ST50997674
Database identifiers
- CAS
3419-32-7- PubChem CID
- 549414
- DTXSID
DTXSID30338500- EC Number
- 680-027-8
- Nikkaji
- J2.203.999G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Boiling point
- 107 · 107-110 °C/6 mmHg(lit.)
- Density
- 1.07 · 1.07
- refractive index
- 20 · n20/D 1.477(lit.)
- Flash point
- 113 °C · 113 °C
- pka
- 11.23 · 11.23±0.40(Predicted)
- form
- clear liquid
- color
- White to Yellow to Green
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- 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.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2918300090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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