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Substance Name: 1,2-Propanediol, 3-(m-butylphenoxy)-
RN: 63834-63-9
InChIKey: CZWHCHAGVJACTE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H20-O3

Molecular Weight

  • 224.298
 
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Names and Synonyms

Synonyms

  • 3-(m-Butylphenoxy)-1,2-propanediol
  • 4-06-00-03269 (Beilstein Handbook Reference)
  • BRN 3270058

Systematic Name

  • 1,2-Propanediol, 3-(m-butylphenoxy)-

Registry Numbers

CAS Registry Number

  • 63834-63-9

System Generated Number

  • 0063834639

Structure Descriptors

InChI

1S/C13H20O3/c1-2-3-5-11-6-4-7-13(8-11)16-10-12(15)9-14/h4,6-8,12,14-15H,2-3,5,9-10H2,1H3

InChIKey

CZWHCHAGVJACTE-UHFFFAOYSA-N

Smiles

O(c1cc(CCCC)ccc1)C[C@@H](O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 72, Pg. 1545, 1952.