Basic information
- CAS
33367-55-4- Standard SMILES
CCOC(=O)C(C(C)C)C(C(=O)OCC)C(C)C- InChIKey
WGFNXLQURMLAGC-UHFFFAOYSA-N- Molecular formula
- C14H26O4
- Average molar mass
- 258.35 g/mol
- Monoisotopic mass
- 258.18310931
Overview
See other relationships...
Names & identifiers
- Preferred name
- Diethyl 2,3-di(propan-2-yl)butanedioate
- IUPAC
- diethyl 2,3-di(propan-2-yl)butanedioate
- English name
- diethyl 2,3-diisopropylsuccinate
- Molecular formula
- C14H26O4
- Molecular weight
- 258.35
Names & synonyms
diethyl 2,3-di(propan-2-yl)butanedioateRefChem:587066682-476-5diethyl 2,3-diisopropylsuccinate33367-55-4MFCD09879885SCHEMBL235785diethyl2,3-diisopropylsuccinateButanedioic acid, 2,3-bis(1-methylethyl)-, diethyl esterDTXSID10431240diethyl 2,3-diisopropylbutanedioateIBA36755
Show more names
2,3-Diisopropyl succinate2,3-Diisopropylpropyl succinate diethyl ester
2,3-diisopropylsuccinate diethyl esteriethyl2,3-di(propan-2-yl)butanedioateDiethyl 2,3-diisopropylsuccinate ,98%AS-93546SY2628472,3-diisopropyl-butanedioic acid diethyl esterF780401Butanedioic acid, 2,3-bis(1-methylethyl)-, 1,4-diethyl ester
Database identifiers
- CAS
33367-55-4- PubChem CID
- 9816596
- DTXSID
DTXSID10431240- EC Number
- 682-476-5
- Nikkaji
- J2.401.635H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Boiling point
- 262.1 · 262.1±8.0 °C(Predicted)
- Density
- 0.963 · 0.963±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C14H26O4/c1-7-17-13(15)11(9(3)4)12(10(5)6)14(16)18-8-2/h9-12H,7-8H2,1-6H3
- InChIKey
- WGFNXLQURMLAGC-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)C(C(C)C)C(C(C)C)C(OCC)=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H316
- Precautionary statements
- 210 · P210-P280-P332+P313-P370+P378-P403+P235-P501
- HS Code
- 29171900 · 29171900
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
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 3 (100%)
Safety data
- hs_code
- 29171900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H227-H316
- Precautionary statements
- P210-P280-P332+P313-P370+P378-P403+P235-P501
Chemistry & industry
Applications
UsesPropanedioic acid,2-(1-methylethyl)-, 1-ethyl ester could be used as the starting material to synthesize diethyl 2,3-diisopropylsuccinate.
Upstream & downstream products
Upstream raw materials
Suppliers46 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
重庆诺森医药有限公司
Related reactions
1 records
Compound notes
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