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63716-17-6

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Basic Information
CAS No.: 63716-17-6
Name: Bisnonanoic acid oxybis(3,1-propanediyl) ester
Molecular Structure:
Molecular Structure of 63716-17-6 (Bisnonanoic acid oxybis(3,1-propanediyl) ester)
Formula: C24H46 O5
Molecular Weight: 414.62
Safety: Moderately toxic by intravenous route. When heated to decomposition it emits acrid smoke and irritating fumes.
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Chemistry

Empirical Formula of Di-propylene glycol di-pelargonate (CAS NO.63716-17-6): C24H46O5
Molecular Weight: 414.619 
Index of Refraction: 1.453
Density: 0.946 g/cm3
Flash Point: 203.8 °C
Enthalpy of Vaporization: 75.34 kJ/mol
Boiling Point: 487.4 °C at 760 mmHg
Vapour Pressure: 1.19E-09 mmHg at 25 °C
Structure of Di-propylene glycol di-pelargonate (CAS NO.63716-17-6):
                        
IUPAC Name: 3-(3-Nonanoyloxypropoxy)propyl nonanoate
Canonical SMILES: CCCCCCCCC(=O)OCCCOCCCOC(=O)CCCCCCCC
InChI: InChI=1S/C24H46O5/c1-3-5-7-9-11-13-17-23(25)28-21-15-19-27-20-16-22-29-24(26)18-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKey: QNQFILNCKAALEB-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ivn-rat LD50:1060 mg/kg

     MRLR**    U.S. Army, Chemical Corps Medical Laboratories Research Reports. (Army Chemical Center, Edgewood Arsenal, MD) No 256,54 .
2.    

ivn-rbt LD50:1060 mg/kg

     MRLR**    U.S. Army, Chemical Corps Medical Laboratories Research Reports. (Army Chemical Center, Edgewood Arsenal, MD) No 256,54 .

Safety Profile

Moderately toxic by intravenous route. When heated to decomposition Di-propylene glycol di-pelargonate (CAS NO.63716-17-6) emits acrid smoke and irritating fumes.

Specification

 Di-propylene glycol di-pelargonate , its cas register number is 63716-17-6. It also can be called 1-Propanol, 3,3'-oxydi-, dipelargonate ; Emery X-88-R ; and Nonanoic acid, oxydipropylene ester .