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10025-09-9

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Basic Information
CAS No.: 10025-09-9
Name: Dipropionic acid 1,5-pentanediyl
Molecular Structure:
Molecular Structure of 10025-09-9 (Dipropionic acid 1,5-pentanediyl)
Formula: C11H20 O4
Molecular Weight: 216.277
Synonyms: 1,5-Pentanediol,dipropanoate (9CI); 1,5-Pentanediol, dipropionate (8CI); NSC 55131; NSC 67964;Pentamethylene dipropionate
Density: 0.996g/cm3
Boiling Point: 282.8°C at 760 mmHg
Flash Point: 131.3°C
Safety: A poison by ingestion. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 52.60000
LogP: 2.06310
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Chemistry

Empirical Formula of Pentamethylene dipropionate (CAS NO.10025-09-9): C11H20O4
Molecular Weight: 216.2741 g/mol
Index of Refraction: 1.434
Density: 0.996 g/cm3
Flash Point: 131.3 °C
Enthalpy of Vaporization: 52.17 kJ/mol
Boiling Point: 282.8 °C at 760 mmHg
Vapour Pressure: 0.00328 mmHg at 25 °C
Structure of Pentamethylene dipropionate (CAS NO.10025-09-9):
                         
IUPAC Name: 5-Propanoyloxypentyl propanoate
Canonical SMILES: CCC(=O)OCCCCCOC(=O)CC
InChI: InChI=1S/C11H20O4/c1-3-10(12)14-8-6-5-7-9-15-11(13)4-2/h3-9H2,1-2H3
InChIKey: GYZVZBFSJCVIDL-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:9100 µL/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 93 (1948),26.
2.    

orl-mus LD50:10,400 µL/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 93 (1948),26.

Safety Profile

A poison by ingestion. When heated to decomposition Pentamethylene dipropionate (CAS NO.10025-09-9) emits acrid smoke and irritating vapors.

Specification

 Pentamethylene dipropionate , its cas register number is 10025-09-9. It also can be called 1,5-Pentanediol, dipropionate ; Pentamethylene glycol dipropionate ; and Propionic acid, pentamethylene ester (2:1) .