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Substance Name: 1,4-Butanediol, dibenzoate
RN: 19224-27-2
InChIKey: YHOWYTOWCBNTHB-UHFFFAOYSA-N

Molecular Formula

  • C18-H18-O4

Molecular Weight

  • 298.336
 
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Names and Synonyms

Synonyms

  • 3-09-00-00540 (Beilstein Handbook Reference)
  • Benzoic acid, butylene ester
  • BRN 1993579
  • NSC 94554

Systematic Name

  • 1,4-Butanediol, dibenzoate

Registry Numbers

CAS Registry Number

  • 19224-27-2

System Generated Number

  • 0019224272

Structure Descriptors

InChI

1S/C18H18O4/c19-17(15-9-3-1-4-10-15)21-13-7-8-14-22-18(20)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2

InChIKey

YHOWYTOWCBNTHB-UHFFFAOYSA-N

Smiles

c1(C(OCCCCOC(c2ccccc2)=O)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04646,