Diethyl 2-methylglutarate
Basic information
- CAS
18545-83-0- Standard SMILES
CCOC(=O)CCC(C)C(=O)OCC- InChIKey
SHSCLYKFOFTZGZ-UHFFFAOYSA-N- Molecular formula
- C10H18O4
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.12050905
Names & identifiers
- Preferred name
- Diethyl 2-methylglutarate
- IUPAC
- diethyl 2-methylpentanedioate
- English name
- Diethyl 2-methylglutarate
- Molecular formula
- C10H18O4
- Molecular weight
- 202.25
Names & synonyms
Diethyl 2-methylglutarate18545-83-01,5-DIETHYL 2-METHYLPENTANEDIOATEEINECS 242-417-2DTXSID901300218NSC 91512RefChem:587123DTXCID001730341242-417-2diethyl 2-methylpentanedioateNSC-91512Glutaric acid, 2-methyl-, diethyl ester
Show more names
2-Methylglutaric acid diethyl esterdiethyl 2-methylpentanedioate(WXC08446)Butane-1,3-dicarboxylic acid diethyl esterPentanedioic acid, 2-methyl-, 1,5-diethyl ester
MFCD00039897Ethyl 2-methylglutaratediethyl2-methylpentanedioate4U6T9GEB3ESCHEMBL5014725SHSCLYKFOFTZGZ-UHFFFAOYSA-NNSC91512AKOS027382445
Database identifiers
- CAS
18545-83-0- PubChem CID
- 86764
- DTXSID
DTXSID901300218- UNII
- 4U6T9GEB3E
- EC Number
- 242-417-2
- Nikkaji
- J26.292G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- refractive index
- 20 · n20/D 1.424
- Flash point
- 87 °C · 87 °C
- Safety Statements
- 23 · 23-24/25
- WGK Germany
- 3 · 3
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- safety_code
- 23-24/25
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Related reactions
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Compound notes
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