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13475-47-3

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Basic Information
CAS No.: 13475-47-3
Name: didocosyl succinate
Molecular Structure:
Molecular Structure of 13475-47-3 (didocosyl succinate)
Formula: C48H94O4
Molecular Weight: 735.272
Synonyms: Butanedioicacid, didocosyl ester (9CI);Succinic acid, didocosyl ester (7CI,8CI);Dibehenyl succinate;Didocosyl succinate;NSC 166458;
EINECS: 236-754-4
Density: 0.888 g/cm3
Boiling Point: 645.2 °C at 760 mmHg
Flash Point: 291.4 °C
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    Butanedioic acid,1,4-didocosyl ester cas 13475-47-3Appearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The Butanedioic acid,1,4-didocosyl ester, with the CAS registry number 13475-47-3, is also known as Succinic acid didocosyl ester. Its EINECS registry number is 236-754-4. This chemical's molecular formula is C48H94O4 and molecular weight is 735.2576. What's more, both its IUPAC name and systematic name are the same which is called Didocosyl butanedioate.

Physical properties about Butanedioic acid,1,4-didocosyl ester are: (1)ACD/LogP: 22.52; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 22.51; (4)ACD/LogD (pH 7.4): 22.51; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 47; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 227.97 cm3; (15)Molar Volume: 827.8 cm3; (16)Polarizability: 90.37×10-24 cm3; (17)Surface Tension: 33.4 dyne/cm; (18)Density: 0.888 g/cm3; (19)Flash Point: 291.4 °C; (20)Enthalpy of Vaporization: 95.18 kJ/mol; (21)Boiling Point: 645.2 °C at 760 mmHg; (22)Vapour Pressure: 1.54E-16 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCCCCCCCCCCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCCCCCCCCCCCCC
(2) InChI: InChI=1/C48H94O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-45-51-47(49)43-44-48(50)52-46-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-46H2,1-2H3
(3) InChIKey: IKGRKXISYLAKAJ-UHFFFAOYAL