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Substance Name: 1,3-Propanediol, 2-methyl-2-((o-tolyloxy)methyl)-
RN: 14116-00-8
InChIKey: HFFMQGCNGRSNSJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-O3

Molecular Weight

  • 210.271
 
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Names and Synonyms

Synonyms

  • 2-Methyl-2-((o-tolyloxy)methyl)-1,3-propanediol
  • BRN 2556864
  • HC 1651

Systematic Name

  • 1,3-Propanediol, 2-methyl-2-((o-tolyloxy)methyl)-

Registry Numbers

CAS Registry Number

  • 14116-00-8

System Generated Number

  • 0014116008

Structure Descriptors

InChI

1S/C12H18O3/c1-10-5-3-4-6-11(10)15-9-12(2,7-13)8-14/h3-6,13-14H,7-9H2,1-2H3

InChIKey

HFFMQGCNGRSNSJ-UHFFFAOYSA-N

Smiles

C(C(CO)(COc1c(cccc1)C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 405mg/kg (405mg/kg)   Annales Pharmaceutiques Francaises. Vol. 24, Pg. 429, 1966.