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Substance Name: 3,7-Dimethyl-1,6-octadien-3-yl phenylacetate
RN: 7143-69-3
UNII: N73NNZ8H94
InChIKey: RROUXOOIXJRTOM-UHFFFAOYSA-N

Molecular Formula

  • C18-H24-O2

Molecular Weight

  • 272.3856
 
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Names and Synonyms

Name of Substance

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

Synonyms

  • 1,5-Dimethyl-1-vinyl-4-hexenyl phenylacetate
  • 1-Ethenyl-1,5-dimethyl-4-hexenyl benzeneacetate
  • 3,7-Dimethyl-1,6-octadien-3-yl phenylacetate
  • Acetic acid, phenyl-, 1,5-dimethyl-1-vinyl-4-hexenyl ester
  • Benzeneacetic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
  • EINECS 230-444-2
  • FEMA No. 3501
  • Linalyl alpha-toluate
  • Linalyl phenylacetate
  • NSC 72028
  • UNII-N73NNZ8H94

Systematic Names

  • Acetic acid, phenyl-, 1,5-dimethyl-1-vinyl-4-hexenyl ester (8CI)
  • Benzeneacetic acid, 1,5-dimethyl-1-ethenyl-4-hexenyl ester
  • Benzeneacetic acid, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
  • Benzeneacetic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
  • Linalyl phenylacetate

Superlist Name

  • Linalyl phenylacetate

Registry Numbers

CAS Registry Number

  • 7143-69-3

FDA UNII

  • N73NNZ8H94

System Generated Number

  • 0007143693

Structure Descriptors

InChI

1S/C18H24O2/c1-5-18(4,13-9-10-15(2)3)20-17(19)14-16-11-7-6-8-12-16/h5-8,10-12H,1,9,13-14H2,2-4H3

InChIKey

RROUXOOIXJRTOM-UHFFFAOYSA-N

Smiles

C(=O)(OC(C=C)(CC/C=C(\C)C)C)Cc1ccccc1

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. 465, 1976.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 465, 1976.