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Substance Name: 3,7-Dimethyl-1,6-octadien-3-yl isobutyrate
RN: 78-35-3
UNII: 8867Y4G46L
InChIKey: JZIARAQCPRDGAC-UHFFFAOYSA-N

Molecular Formula

  • C14-H24-O2

Molecular Weight

  • 224.342
 
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Names and Synonyms

Name of Substance

  • 3,7-Dimethyl-1,6-octadien-3-yl isobutyrate

Synonyms

  • 1,5-Dimethyl-1-vinyl-4-hexenyl isobutyrate
  • 1,6-Octadien-3-ol, 3,7-dimethyl-, isobutyrate
  • 1-Ethenyl-1,5-dimethyl-4-hexenyl 2-methylpropanoate
  • 3,7-Dimethyl-1,6-octadien-3-ol isobutyrate
  • 3,7-Dimethyl-1,6-octadien-3-yl 2-methylpropanoate
  • 3,7-Dimethyl-1,6-octadien-3-yl isobutanoate
  • 3,7-Dimethyl-1,6-octadien-3-yl isobutyrate
  • 3,7-Dimethyl-1,6-octadienyl isobutyrate
  • 4-02-00-00849 (Beilstein Handbook Reference)
  • AI3-24264
  • BRN 1726378
  • EINECS 201-108-2
  • EINECS 305-132-5
  • FEMA No. 2640
  • Isobutyric acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
  • Isobutyric acid, linalyl ester (6CI)
  • Linalool isobutyrate
  • Linalyl 2-methylpropanoate
  • Linalyl isobutyrate
  • NSC 46145
  • Propanoic acid, 2-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
  • UNII-8867Y4G46L

Systematic Names

  • (1)-1,5-Dimethyl-1-vinylhex-4-enyl isobutyrate
  • 1,5-Dimethyl-1-vinylhex-4-enyl isobutyrate
  • Isobutyric acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
  • Propanoic acid, 2-methyl-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
  • Propanoic acid, 2-methyl-, 1-ethenyl-1,5-dimethyl-4-hexenyl ester

Superlist Name

  • Linalyl isobutyrate

Registry Numbers

CAS Registry Number

  • 78-35-3

FDA UNII

  • 8867Y4G46L

Other Registry Number

  • 94346-07-3

System Generated Number

  • 0000078353

Structure Descriptors

InChI

1S/C14H24O2/c1-7-14(6,10-8-9-11(2)3)16-13(15)12(4)5/h7,9,12H,1,8,10H2,2-6H3

InChIKey

JZIARAQCPRDGAC-UHFFFAOYSA-N

Smiles

O([C@@](CC\C=C(/C)C)(C=C)C)C(C(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 15100mg/kg (15100mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: EXCITEMENT
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 835, 1975.
rat LD50 oral > 36300mg/kg (36300mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.