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Substance Name: 1,5-Pentanediol, dipropionate
RN: 10025-09-9
InChIKey: GYZVZBFSJCVIDL-UHFFFAOYSA-N

Molecular Formula

  • C11-H20-O4

Molecular Weight

  • 216.275
 
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Names and Synonyms

Synonyms

  • 4-02-00-00715 (Beilstein Handbook Reference)
  • BRN 1784481
  • NSC 55131
  • NSC 67964
  • Pentamethylene dipropionate
  • Pentamethylene glycol dipropionate
  • Pentamethylenedipropionate
  • Propionic acid, pentamethylene ester (2:1)

Systematic Names

  • 1,5-Pentanediol, dipropanoate (9CI)
  • 1,5-Pentanediol, dipropionate

Registry Numbers

CAS Registry Number

  • 10025-09-9

System Generated Number

  • 0010025099

Structure Descriptors

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

Smiles

O=C(OCCCCCOC(=O)CC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 10400uL/kg (10.4mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
rat LD50 oral 9100uL/kg (9.1mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.860 (none)   EST
Water Solubility 1270 mg/L 35 EXP
Atmospheric OH Rate Constant 8.83E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.