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Substance Name: 3-Octanol, 3,6-dimethyl-, 3-acetate
RN: 60763-42-0
InChIKey: JFKHPWLOPZASHC-UHFFFAOYSA-N

Molecular Formula

  • C12-H24-O2

Molecular Weight

  • 200.32
 
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Names and Synonyms

Synonyms

  • 3,6-Dimethyl-3-octanol acetate
  • 3,6-Dimethyloctan-3-yl acetate
  • EINECS 262-415-5

Systematic Names

  • 3,6-Dimethyl-3-octyl acetate
  • 3-Octanol, 3,6-dimethyl-, 3-acetate
  • 3-Octanol, 3,6-dimethyl-, acetate

Registry Numbers

CAS Registry Number

  • 60763-42-0

System Generated Number

  • 0060763420

Structure Descriptors

InChI

1S/C12H24O2/c1-6-10(3)8-9-12(5,7-2)14-11(4)13/h10H,6-9H2,1-5H3

InChIKey

JFKHPWLOPZASHC-UHFFFAOYSA-N

Smiles

O=C(O[C@@](CC[C@@H](CC)C)(CC)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 799, 1975.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 799, 1975.