Basic information
- CAS
2163-44-2- Standard SMILES
CCOC(=O)C(C(=O)OCC)C1CCCCC1- InChIKey
FUOPELSDMOAUBM-UHFFFAOYSA-N- Molecular formula
- C13H22O4
- Average molar mass
- 242.31 g/mol
- Monoisotopic mass
- 242.15180918
Names & identifiers
- Preferred name
- Diethyl 2-cyclohexylmalonate
- IUPAC
- diethyl 2-cyclohexylpropanedioate
- English name
- diethyl 2-cyclohexylpropanedioate
- Molecular formula
- C13H22O4
- Molecular weight
- 242.31
Names & synonyms
diethyl 2-cyclohexylmalonate2163-44-2diethyl 2-cyclohexylpropanedioatediethyl cyclohexylmalonate1,3-diethyl 2-cyclohexylpropanedioateMFCD00019363cyclohexyl-malonic acid diethyl esterDiethyl cyclohexyl malonateCyclohexanemalonic acid diethyl ester2-Cyclohexylmalonic acid diethyl ester-2-Cyclohexylmalonic acid diethyl esterPropanedioic acid, cyclohexyl-, diethyl ester
Show more names
Propanedioic acid, 2-cyclohexyl-, 1,3-diethyl ester
diethyl cyclohexylpropanedioateSCHEMBL1433202DTXSID90286654FUOPELSDMOAUBM-UHFFFAOYSA-NCAA16344NSC46843NSC-46843SBB099598
Database identifiers
- CAS
2163-44-2- PubChem CID
- 240541
- DTXSID
DTXSID90286654- EC Number
- 196-109-7
- Nikkaji
- J308.042K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 115 · 115-135 °C
- Boiling point
- 345.14 °C · 345.14°C (rough estimate)
- Density
- 1.0228 · 1.0228
- refractive index
- 1.4478 · 1.4478 (estimate)
- pka
- 12.69 · 12.69±0.20(Predicted)
- form
- liquid
- color
- Clear, colourless
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 280 · P280-P271-P260
- HazardClass
- IRRITANT
- HS Code
- 2917198090 · 2917198090
Safety & regulation
Safety data
- hs_code
- 2917198090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P280-P271-P260
Chemistry & industry
Applications
UsesDiethyl 2-Cyclohexylmalonate is a useful reagent for decarbalkoxylation of geminal diesters.
Suppliers11 total
常州金和生物科技有限公司18796930758 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
扬州瑞宏生物科技有限公司15380367604; 15380367604 · [email protected]
许昌峰飞新材料科技有限公司19713077352; 19713077352 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
10 records
Compound notes
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