Skip Navigation
ChemIDplus A TOXNET DATABASE Lite•Browse•Advanced

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
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

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.