Diethyl (1-phenylpropyl)malonate supplier

Name
NSC 197077
EINECS
CAS No. 37556-02-8
Article Data8
CAS DataBase
Density 1.06 g/cm³
Solubility
Melting Point
Formula C₁₆H₂₂O₄
Boiling Point 347.6 °C at 760 mmHg
Molecular Weight 278.348
Flash Point 163.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(1-Phenylpropyl)propanedioic acid 1,3-diethyl ester;
PSA 52.60000
LogP 2.92260

Diethyl (1-phenylpropyl)malonate Specification

The CAS registry number of Diethyl 2-(1-phenylpropyl)propanedioate is 37556-02-8. This chemical is also named as 2-(1-Phenylpropyl)propanedioic acid 1,3-diethyl ester. In addition, its molecular formula is C₁₆H₂₂O₄ and molecular weight is 278.34. Its systematic name and IUPAC name are the same which is called diethyl (1-phenylpropyl)propanedioate.

Physical properties about Diethyl 2-(1-phenylpropyl)propanedioate are: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 9; (6)Index of Refraction: 1.493; (7)Molar Refractivity: 76.37 cm³; (8)Molar Volume: 262.3 cm³; (9)Surface Tension: 37.1 dyne/cm; (10)Density: 1.06 g/cm³; (11)Flash Point: 163.5 °C; (12)Enthalpy of Vaporization: 59.19 kJ/mol; (13)Boiling Point: 347.6 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)C(C(=O)OCC)C(c1ccccc1)CC
(2)InChI: InChI=1/C16H22O4/c1-4-13(12-10-8-7-9-11-12)14(15(17)19-5-2)16(18)20-6-3/h7-11,13-14H,4-6H2,1-3H3
(3)InChIKey: BBLKIFIEAWSZCW-UHFFFAOYAA

Product Name

NSC 197077

Diethyl (1-phenylpropyl)malonate Specification

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