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Substance Name: Docosanoic acid, 1-methyl-1,2-ethanediyl ester
RN: 61682-74-4
InChIKey: IVIJJVOAPBDAJD-UHFFFAOYSA-N

Molecular Formula

  • C47-H92-O4

Molecular Weight

  • 721.2398
 
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Names and Synonyms

Synonym

  • 1,2-Propanediol dibehenate

Systematic Name

  • Docosanoic acid, 1-methyl-1,2-ethanediyl ester

Registry Numbers

CAS Registry Number

  • 61682-74-4

System Generated Number

  • 0061682744

Structure Descriptors

InChI

1S/C47H92O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-46(48)50-44-45(3)51-47(49)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h45H,4-44H2,1-3H3

InChIKey

IVIJJVOAPBDAJD-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCCCCCCCCCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 5gm/kg (5000mg/kg)   United States Patent Document. Vol. #4098706,