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Substance Name: 1,6-Nonadien-3-ol, 3,7-dimethyl-, 3-acetate
RN: 61931-80-4
InChIKey: IVSZEHYDOLAREK-PKNBQFBNSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C13-H22-O2

Molecular Weight

  • 210.315
 
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Names and Synonyms

Synonyms

  • 3,7-Dimethyl-1,6-nonadien-3-yl acetate
  • 3,7-Dimethyl-1,6-nonadiene-3-yl acetate
  • 4-02-00-00207 (Beilstein Handbook Reference)
  • BRN 1779089
  • EINECS 263-336-9
  • Ethyl linalyl acetate
  • Homolinalyl acetate

Systematic Names

  • 1,5-Dimethyl-1-vinylhept-4-enyl acetate
  • 1,6-Nonadien-3-ol, 3,7-dimethyl-, 3-acetate
  • 1,6-Nonadien-3-ol, 3,7-dimethyl-, acetate

Registry Numbers

CAS Registry Number

  • 61931-80-4

System Generated Number

  • 0061931804

Structure Descriptors

InChI

InChI=1S/C13H22O2/c1-6-11(3)9-8-10-13(5,7-2)15-12(4)14/h7,9H,2,6,8,10H2,1,3-5H3/b11-9+

InChIKey

IVSZEHYDOLAREK-PKNBQFBNSA-N

Smiles

CC\C(=C\CCC(C)(OC(=O)C)C=C)\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. 681, 1982.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 681, 1982.