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Substance Name: 3,7-Dimethyl-1,6-octadien-3-yl formate
RN: 115-99-1
UNII: 3V67WH3R5N
InChIKey: JZOCDHMHLGUPFI-UHFFFAOYSA-N

Molecular Formula

  • C11-H18-O2

Molecular Weight

  • 182.261
 
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Names and Synonyms

Name of Substance

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

Synonyms

  • 1,6-Octadien-3-ol, 3,7-dimethyl-, formate
  • 3,7-Dimethyl-1,6-octadien-3-ol formate
  • 3,7-Dimethyl-1,6-octadien-3-yl formate
  • AI3-24241
  • EINECS 204-120-6
  • FEMA No. 2642
  • Linalool formate (6CI)
  • Linalyl formate
  • LINOLOOL, FORMATE
  • NSC 46116
  • UNII-3V67WH3R5N

Systematic Names

  • 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-formate
  • 1,6-Octadien-3-ol, 3,7-dimethyl-, formate
  • Linalyl formate

Superlist Name

  • Linalyl formate

Registry Numbers

CAS Registry Number

  • 115-99-1

FDA UNII

  • 3V67WH3R5N

Other Registry Number

  • 1219134-10-7

System Generated Number

  • 0000115991

Structure Descriptors

InChI

1S/C11H18O2/c1-5-11(4,13-9-12)8-6-7-10(2)3/h5,7,9H,1,6,8H2,2-4H3

InChIKey

JZOCDHMHLGUPFI-UHFFFAOYSA-N

Smiles

C([C@@](OC=O)(C=C)C)C\C=C(\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. 833, 1975.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 833, 1975.