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Substance Name: Docosanoic acid, 1,4-butanediyl ester
RN: 61682-72-2
InChIKey: ZHFKPQUAKSMCKS-UHFFFAOYSA-N

Molecular Formula

  • C48-H94-O4

Molecular Weight

  • 735.2666
 
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Names and Synonyms

Synonym

  • 1,4-Butanediol dibehenate

Systematic Name

  • Docosanoic acid, 1,4-butanediyl ester

Registry Numbers

CAS Registry Number

  • 61682-72-2

System Generated Number

  • 0061682722

Structure Descriptors

InChI

1S/C48H94O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43-47(49)51-45-41-42-46-52-48(50)44-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-46H2,1-2H3

InChIKey

ZHFKPQUAKSMCKS-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCOC(=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,