2-ethyl-2-(2-ethylphenyl)propanedioate
Diethyl phenylmalonate
CAS: 83-13-6
Molecular Formula: C13H16O4
2-ethyl-2-(2-ethylphenyl)propanedioate - Names and Identifiers
| Name | Diethyl phenylmalonate |
| Synonyms | RARECHEM AL BI 1370 PHENYL MALONIC ESTER Diethyl phenylmalonate Diethylephenylmalonate Diethyl phenyl malonate phenyl diethyl malonate diethyl phenylpropanedioate Phenyl Malonic diethyl ester 2-Phenyl-malonicaciddiethylester Phenylmalonic acid diethyl ester PHENYLMALONIC ACID DIETHYL ESTER Phenylpropanedioic acid diethyl ester 2-ethyl-2-(2-ethylphenyl)propanedioate |
| CAS | 83-13-6 |
| EINECS | 201-456-5 |
| InChI | InChI=1/C13H16O4/c1-3-16-12(14)11(13(15)17-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3 |
2-ethyl-2-(2-ethylphenyl)propanedioate - Physico-chemical Properties
| Molecular Formula | C13H16O4 |
| Molar Mass | 236.26 |
| Density | 1.095 g/mL at 25 °C (lit.) |
| Melting Point | 16 °C (lit.) |
| Boling Point | 170-172 °C/14 mmHg (lit.) |
| Flash Point | >230°F |
| Water Solubility | immiscible |
| Vapor Presure | 0.00108mmHg at 25°C |
| Appearance | Liquid After Melting |
| Color | Clear colorless to yellow |
| BRN | 614465 |
| pKa | 11.84±0.46(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.491(lit.) |
| Physical and Chemical Properties | Colorless to light yellow transparent oily liquid |
| Use | Used as a pharmaceutical Intermediate |
2-ethyl-2-(2-ethylphenyl)propanedioate - Risk and Safety
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29173980 |
2-ethyl-2-(2-ethylphenyl)propanedioate - Reference Information
| LogP | 2.71 at 20℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Use | pharmaceutical intermediates for the production of phenobarbital, etc. used as pharmaceutical intermediates |
| production method | is obtained by condensation, acidification and elimination of ethyl phenylacetate. |
Last Update：2024-04-09 15:16:53
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