Basic information
- CAS
34009-61-5- Standard SMILES
CCOC(=O)C(C)(C(=O)OCC)c1ccccc1- InChIKey
KGUIOHXCGVQYEG-UHFFFAOYSA-N- Molecular formula
- C14H18O4
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.12050905
Names & identifiers
- Preferred name
- Propanedioic acid, 2-methyl-2-phenyl-, 1,3-diethyl ester
- IUPAC
- diethyl 2-methyl-2-phenylpropanedioate
- English name
- Diethyl methylphenylmalonate
- Molecular formula
- C14H18O4
- Molecular weight
- 250.29
Names & synonyms
34009-61-5Diethyl methyl(phenyl)malonateUU4Q9WA4YZNSC-147481DTXSID20187620Propanedioic acid, 2-methyl-2-phenyl-, 1,3-diethyl esterRefChem:1096746DTXCID80110111251-789-5DIETHYL METHYLPHENYLMALONATEdiethyl 2-methyl-2-phenylmalonatediethyl 2-methyl-2-phenylpropanedioate
Show more names
MFCD00026837EINECS 251-789-5Methylphenylmalonic acid diethyl esterNSC1474812-Methyl-2-phenylmalonic acid diethyl ester2-Phenyl-2-methylmalonic acid diethyl ester2-Methyl-2-phenylpropanedioic acid diethyl esterphenyl methyl diethyl malonate
Database identifiers
- CAS
34009-61-5- PubChem CID
- 98549
- DTXSID
DTXSID20187620- UNII
- UU4Q9WA4YZ
- EC Number
- 251-789-5
- Nikkaji
- J287.847J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 274
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- Melting point
- 156 · 156-157 °C (decomp)
- Boiling point
- 156 · 156-158 °C(Press: 10 Torr)
- Density
- 1.092 · 1.092±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- 6 · DMSO-d6
- form
- Oil
- color
- Yellow
- FDA UNII
- 4 Q9WA4YZ · UU4Q9WA4YZ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesDiethyl Methylphenylmalonate is an impurity in the synthesis of Heptobarbital (H281165). Heptobarbital is an impurity of Phenobarbital (P316760), which is a controlled substance (depressant), anticonvulsant, sedative and hypnotic.
Upstream & downstream products
Downstream products
Suppliers5 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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