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Substance Name: Isobutyllinalool
RN: 56105-46-5
UNII: 8ZP1W03TK9
InChIKey: XVNDKDXSDQQJTO-XYOKQWHBSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C13-H24-O

Molecular Weight

  • 196.332
 
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Names and Synonyms

Name of Substance

  • Isobutyllinalool

Synonyms

  • 3,7,9-Trimethyl-1,6-decadien-3-ol
  • 4-01-00-02291 (Beilstein Handbook Reference)
  • AI3-36180
  • BRN 1760968
  • EINECS 259-994-1
  • Isobutyl linalol
  • UNII-8ZP1W03TK9

Systematic Names

  • 1,6-Decadien-3-ol, 3,7,9-trimethyl-
  • 3,7,9-Trimethyldeca-1,6-dien-3-ol

Registry Numbers

CAS Registry Number

  • 56105-46-5

FDA UNII

  • 8ZP1W03TK9

System Generated Number

  • 0056105465

Structure Descriptors

InChI

1S/C13H24O/c1-6-13(5,14)9-7-8-12(4)10-11(2)3/h6,8,11,14H,1,7,9-10H2,2-5H3/b12-8+

InChIKey

XVNDKDXSDQQJTO-XYOKQWHBSA-N

Smiles

C([C@@](C=C)(C)O)C\C=C(\CC(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. 17, Pg. 837, 1979.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 837, 1979.