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Substance Name: Nonanediol, diacetate
RN: 39864-15-8
InChIKey: ZALVGSSYVAPZDA-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C13-H24-O4

Molecular Weight

  • 244.329
 
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Names and Synonyms

Synonyms

  • EINECS 254-661-7
  • Jasmonyl
  • Nonanediol diacetate
  • Nonanediol, diacetate
  • Nonanediol-1,3 acetate

Systematic Names

  • Nonanediol, diacetate
  • Nonanediyl diacetate

Registry Numbers

CAS Registry Number

  • 39864-15-8

System Generated Number

  • 0039864158

Structure Descriptors

InChI

InChI=1S/C13H24O4/c1-4-5-6-7-8-9-10-13(16-11(2)14)17-12(3)15/h13H,4-10H2,1-3H3

InChIKey

ZALVGSSYVAPZDA-UHFFFAOYSA-N

Smiles

CCCCCCCCC(OC(=O)C)OC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 773, 1982.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 773, 1982.