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Substance Name: 1-Octanol, 3,7-dimethyl-, 1-acetate
RN: 20780-49-8
InChIKey: XFPXWDJICXBWRU-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C12-H24-O2

Molecular Weight

  • 200.32
 
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Names and Synonyms

Synonyms

  • 1-Octanol, 3,7-dimethyl-, acetate
  • 3,7-Dimethyl-1-octanol, acetate
  • 3,7-Dimethyl-1-octanyl acetate
  • 3,7-Dimethyloctanyl acetate
  • 3,7-Dimethyloctanyl-1-acetate
  • 3,7-Dimethyloctyl acetate
  • AI3-28806
  • Dihydrocitronellyl acetate
  • EINECS 244-034-6
  • Tetrahydrogeranyl acetate

Systematic Names

  • 1-Octanol, 3,7-dimethyl-, 1-acetate
  • 1-Octanol, 3,7-dimethyl-, acetate
  • 3,7-Dimethyl-1-octyl acetate

Registry Numbers

CAS Registry Number

  • 20780-49-8

System Generated Number

  • 0020780498

Structure Descriptors

InChI

InChI=1S/C12H24O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h10-11H,5-9H2,1-4H3

InChIKey

XFPXWDJICXBWRU-UHFFFAOYSA-N

Smiles

CC(C)CCCC(C)CCOC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 18, Pg. 673, 1980.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 18, Pg. 673, 1980.