Butanedioic acid,1,4-bis(phenylmethyl) ester supplier

Name
DIBENZYL SUCCINATE
EINECS 203-110-9
CAS No. 103-43-5
Article Data24
CAS DataBase
Density 1.165 g/cm³
Solubility Insoluble in water.
Melting Point 42-43°C
Formula C₁₈H₁₈O₄
Boiling Point 416.4 °C at 760 mmHg
Molecular Weight 298.339
Flash Point 205.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Butanedioicacid, bis(phenylmethyl) ester (9CI);Succinic acid, dibenzyl ester(6CI,7CI,8CI);Dibenzyl succinate;NSC 4047;Spasmine;
PSA 52.60000
LogP 3.25340

Butanedioic acid,1,4-bis(phenylmethyl) ester Specification

The Butanedioic acid,1,4-bis(phenylmethyl) ester, with the CAS registry number 103-43-5, is also known as Benzyl succinate. Its EINECS number is 203-110-9. It belongs to the product category of Pharmaceutical Intermediates. This chemical's molecular formula is C₁₈H₁₈O₄ and molecular weight is 298.33. What's more, its systematic name is Dibenzyl butanedioate. The product should be stored in containers which are placed in cool, ventilated places. It should be protected from heat, fire and strong oxidizers. There must be fire-fighting equipment in the storeroom.

Physical properties of Butanedioic acid,1,4-bis(phenylmethyl) ester are: (1)ACD/LogP: 3.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.7; (4)ACD/LogD (pH 7.4): 3.7; (5)ACD/BCF (pH 5.5): 383.19; (6)ACD/BCF (pH 7.4): 383.19; (7)ACD/KOC (pH 5.5): 2459.3; (8)ACD/KOC (pH 7.4): 2459.3; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 82.37 cm³; (15)Molar Volume: 255.9 cm³; (16)Polarizability: 32.65×10^-24cm³; (17)Surface Tension: 45.4 dyne/cm; (18)Density: 1.165 g/cm³; (19)Flash Point: 205.7 °C; (20)Enthalpy of Vaporization: 66.97 kJ/mol; (21)Boiling Point: 416.4 °C at 760 mmHg; (22)Vapour Pressure: 3.82E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)COC(=O)CCC(=O)OCC2=CC=CC=C2
(2)InChI: InChI=1S/C18H18O4/c19-17(21-13-15-7-3-1-4-8-15)11-12-18(20)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2
(3)InChIKey: ODBOBZHTGBGYCK-UHFFFAOYSA-N

Product Name

DIBENZYL SUCCINATE

Butanedioic acid,1,4-bis(phenylmethyl) ester Specification

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