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Basic Information
CAS No.: 10058-20-5
Name: Succinic acid bis[2-(hexyloxy)ethyl] ester
Molecular Structure:
Molecular Structure of 10058-20-5 (Succinic acid bis[2-(hexyloxy)ethyl] ester)
Formula: C20H38 O6
Molecular Weight: 374.58
Synonyms: Butanedioicacid, bis[2-(hexyloxy)ethyl] ester (9CI); Succinic acid, bis[2-(hexyloxy)ethyl]ester (8CI)
Density: 0.989g/cm3
Boiling Point: 444.8°Cat760mmHg
Flash Point: 188.3°C
Safety: Mildly toxic by ingestion and skin contact. A skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
PSA: 71.06000
LogP: 4.04680
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Chemistry

Molecule structure of Succinic acid, bis(2-(hexyloxy)ethyl) ester (CAS NO.10058-20-5) :

IUPAC Name: bis(2-hexoxyethyl) butanedioate 
Molecular Weight: 374.51212 g/mol
Molecular Formula: C20H38O6 
Density: 0.989 g/cm
Boiling Point: 444.8 °C at 760 mmHg 
Flash Point: 188.3 °C
Index of Refraction: 1.45
Molar Refractivity: 101.74 cm3
Molar Volume: 378.3 cm3
Polarizability: 40.33×10-24 cm3
Surface Tension: 34.4 dyne/cm3
Enthalpy of Vaporization: 70.27 kJ/mol
Vapour Pressure: 4.15E-08 mmHg at 25 °C
XLogP3-AA: 4.2
H-Bond Acceptor: 6
Rotatable Bond Count: 21
Exact Mass: 374.266839
MonoIsotopic Mass: 374.266839
Topological Polar Surface Area: 71.1
Heavy Atom Count: 26
Complexity: 300
Canonical SMILES: CCCCCCOCCOC(=O)CCC(=O)OCCOCCCCCC
InChI: InChI=1S/C20H38O6/c1-3-5-7-9-13-23-15-17-25-19(21)11-12-20(22)26-18-16-24-14-10-8-6-4-2/h3-18H2,1-2H3
InChIKey of Succinic acid, bis(2-(hexyloxy)ethyl) ester (CAS NO.10058-20-5) : DSGIOCRYGRVGOW-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

skn-rbt 10 mg/24H open MLD

     AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61.
2.    

eye-rbt 500 mg open

     AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61.
3.    

orl-rat LD50:4280 mg/kg

     AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61.
4.    

skn-rbt LD50:12,310 mg/kg

     AMIHBC    AMA Archives of Industrial Hygiene and Occupational Medicine. 10 (1954),61.

Safety Profile

Mildly toxic by ingestion and skin contact. A skin and eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.

Specification

 Succinic acid, bis(2-(hexyloxy)ethyl) ester (CAS NO.10058-20-5) is also called Bis(2-(hexyloxy)ethyl) succinate ; Di-(2-hexyloxyethyl)ester kyseliny jantarove ; Di-(2-hexyloxyethyl)ester kyseliny jantarove [Czech] ; Di-2-hexyloxyethyl succinate .