Basic information
- CAS
5396-14-5- Standard SMILES
CCOC(=O)C(=O)C1CCCCC1=O- InChIKey
SIQOFNOENHOIFT-UHFFFAOYSA-N- Molecular formula
- C10H14O4
- Average molar mass
- 198.22 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-oxo-2-(2-oxocyclohexyl)acetate
- IUPAC
- ethyl 2-oxo-2-(2-oxocyclohexyl)acetate
- English name
- 2-OXOCYCLOHEXANEGLYOXYLIC ACID ETHYL ESTER
- Molecular formula
- C10H14O4
- Molecular weight
- 198.22
Names & synonyms
ethyl 2-oxo-2-(2-oxocyclohexyl)acetateRefChem:594495824-282-75396-14-5Ethyl oxo(2-oxocyclohexyl)acetate2-OXOCYCLOHEXANEGLYOXYLIC ACID ETHYL ESTERMFCD00463690NSC 1175NSC11752-ethoxyoxalylcyclohexanone2-OXOCYCLOHEXANEGLYOXYLICACIDETHYLESTERAKOS MSC-0385
Show more names
Oxo(2-oxocyclohexyl)acetic acid ethyl esterCyclohexaneacetic acid, α,2-dioxo-, ethyl ester
SCHEMBL181879Ethyl 2-oxocyclohexaneglyoxalate1,4-Bis(4-phenylbutyl)benzeneCS-M0077FAA39614NSC-1175SBB080540AKOS004115274
Database identifiers
- CAS
5396-14-5- PubChem CID
- 219637
- EC Number
- 824-282-7
- Nikkaji
- J428.821A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Melting point
- 123 · 123-124℃
- Boiling point
- 60 · 60-62 °C(Press: 0.02 Torr)
- Density
- 1.161 · 1.161
- storage temp.
- 2 · 2-8°C
- pka
- 8.23 · 8.23±0.20(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers41 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
重庆旭晗科技有限公司13668063927; 13668063927 · [email protected]
重庆科脉材料科技有限公司13370757113 · [email protected]
ChemeGen 中国18818260767 · [email protected]
无锡捷化医药科技有限公司0510-83588313-811 18800520310 · [email protected]
杭州莱晟生物科技有限公司13456210265 · [email protected]
Related reactions
5 records
Compound notes
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