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10526-15-5

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Basic Information
CAS No.: 10526-15-5
Name: DI-2-ETHYLHEXYL 3,3'-THIODIPROPIONATE
Molecular Structure:
Molecular Structure of 10526-15-5 (DI-2-ETHYLHEXYL 3,3'-THIODIPROPIONATE)
Formula: C22H42 O4 S
Molecular Weight: 402.639
Synonyms: Propanoicacid, 3,3'-thiobis-, bis(2-ethylhexyl) ester (9CI); Propionic acid,3,3'-thiodi-, bis(2-ethylhexyl) ester (6CI,7CI,8CI); Bis(2-ethylhexyl)3,3'-thiodipropionate; Bis(2-ethylhexyl) thiodipropionate; Di-2-ethylhexylthiodipropionate
Density: 0.974g/cm3
Boiling Point: 478.6°Cat760mmHg
Flash Point: 214.9°C
Hazard Symbols: Moderately toxic by ingestion. A mild skin and eye irritant.
Safety: Moderately toxic by ingestion and intraperitoneal routes. A mild skin and eye irritant. When heated to decomposition it emits toxic vapors of SOx.
PSA: 77.90000
LogP: 6.01900
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Chemistry

Product Name: Bis(2-ethylhexyl)thiodipropionate (CAS NO.10526-15-5)


Molecular Formula: C22H42O4S
Molecular Weight: 402.63g/mol
Mol File: 10526-15-5.mol
Einecs: 234-083-1
Boiling point: 478.6 °C at 760 mmHg
Flash Point: 214.9 °C
Density: 0.974 g/cm3
Surface Tension: 34.5 dyne/cm
Enthalpy of Vaporization: 74.27 kJ/mol
Vapour Pressure: 2.55E-09 mmHg at 25°C
XLogP3-AA: 6.8
H-Bond Donor: 0
H-Bond Acceptor: 4
IUPAC Name: 2-ethylhexyl 3-[3-(2-ethylhexoxy)-3-oxopropyl]sulfanylpropanoate
Canonical SMILES: CCCCC(CC)COC(=O)CCSCCC(=O)OCC(CC)CCCC
InChI: InChI=1S/C22H42O4S/c1-5-9-11-19(7-3)17-25-21(23)13-15-27-16-14-22(24)26-
18-20(8-4)12-10-6-2/h19-20H,5-18H2,1-4H3 
InChIKey: NKNLSBYMGKTWDT-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

skn-rbt 500 µL/4H MLD

     IJTOFN    International Journal of Toxicology. 16 (Suppl 2)(1997),6.
2.    

eye-rbt 100 µL/24H MLD

     IJTOFN    International Journal of Toxicology. 16 (Suppl 2)(1997),6.
3.    

orl-rat LD50:>5 mL/kg

     IJTOFN    International Journal of Toxicology. 16 (Suppl 2)(1997),6.
4.    

ipr-mus LD :>500 mg/kg

     CBCCT*    “Summary Tables of Biological Tests“ National Research Council Chemical-Biological Coordination Center. 8 (1956),106.

Safety Profile

Moderately toxic by ingestion and intraperitoneal routes. A mild skin and eye irritant. When heated to decomposition it emits toxic vapors of SOx.

Specification

 Bis(2-ethylhexyl)thiodipropionate ,its CAS NO. is 10526-15-5,the synonyms is AI3-22637 ; Bis(2-ethylhexyl) 3,3'-thiodipropionate ; EINECS 234-083-1 ; Propanoic acid, 3,3'-thiobis-, 1,1'-bis(2-ethylhexyl) ester ; Propanoic acid, 3,3'-thiobis-, bis(2-ethylhexyl) ester .