Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3,7-Dimethyl-1,6-octadien-3-yl benzoate
RN: 126-64-7
UNII: 2ADP7IT9Y3
InChIKey: BTJXBZZBBNNTOV-UHFFFAOYSA-N

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C17-H22-O2

Molecular Weight

  • 258.359
 
* 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

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

Synonyms

  • 1,5-Dimethyl-1-vinyl-4-hexen-1-yl benzoate
  • 1,6-Octadien-3-ol, 3,7-dimethyl-, benzoate
  • 3,7-Dimethyl-1,6-octadien-3-yl benzoate
  • 4-Hexen-1-ol, 1,5-dimethyl-1-vinyl-, benzoate
  • AI3-24279
  • Benzoic acid linalool ester
  • Benzoic acid, linalyl ester
  • EINECS 204-796-2
  • FEMA No. 2638
  • Linalol benzoate
  • Linalool, benzoate
  • Linalyl benzoate
  • NSC 71926
  • UNII-2ADP7IT9Y3

Systematic Names

  • 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-benzoate
  • 1,6-Octadien-3-ol, 3,7-dimethyl-, benzoate
  • Benzoic acid, linalyl ester
  • Linalyl benzoate

Superlist Name

  • Linalyl benzoate

Registry Numbers

CAS Registry Number

  • 126-64-7

FDA UNII

  • 2ADP7IT9Y3

System Generated Number

  • 0000126647

Structure Descriptors

InChI

1S/C17H22O2/c1-5-17(4,13-9-10-14(2)3)19-16(18)15-11-7-6-8-12-15/h5-8,10-12H,1,9,13H2,2-4H3

InChIKey

BTJXBZZBBNNTOV-UHFFFAOYSA-N

Smiles

O([C@@](CC\C=C(\C)C)(C=C)C)C(c1ccccc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 461, 1976.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 461, 1976.