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Substance Name: 1,3-Propanediol, 2,2-diethyl-, diacetate
RN: 63834-77-5
InChIKey: QERZBQVBUHVAFS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H20-O4

Molecular Weight

  • 216.275
 
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Names and Synonyms

Synonyms

  • 2,2-Diethyl-1,3-propanediol diacetate
  • 3-02-00-00322 (Beilstein Handbook Reference)
  • BRN 1779191
  • MC 2579

Systematic Name

  • 1,3-Propanediol, 2,2-diethyl-, diacetate

Registry Numbers

CAS Registry Number

  • 63834-77-5

System Generated Number

  • 0063834775

Structure Descriptors

InChI

1S/C11H20O4/c1-5-11(6-2,7-14-9(3)12)8-15-10(4)13/h5-8H2,1-4H3

InChIKey

QERZBQVBUHVAFS-UHFFFAOYSA-N

Smiles

C(=O)(OCC(COC(=O)C)(CC)CC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 973mg/kg (973mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 43, Pg. 547, 1954.