Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Diethyl (1-phenylpropyl)malonate |
EINECS | N/A |
CAS No. | 37556-02-8 | Density | 1.06 g/cm3 |
PSA | 52.60000 | LogP | 2.92260 |
Solubility | N/A | Melting Point |
N/A |
Formula | C16H22O4 | Boiling Point | 347.6 °C at 760 mmHg |
Molecular Weight | 278.348 | Flash Point | 163.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(1-Phenylpropyl)propanedioic acid 1,3-diethyl ester; |
Article Data | 8 |
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