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Substance Name: Citronellyl phenylacetate
RN: 139-70-8
UNII: HH43UJ4D76
InChIKey: CVJBFMVLVJZZMM-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C18-H26-O2

Molecular Weight

  • 274.401
 
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Names and Synonyms

Name of Substance

  • Citronellyl phenylacetate

Synonyms

  • 3,7-Dimethyl-6-octen-1-yl phenylacetate
  • 3,7-Dimethyl-6-octenyl benzeneacetate
  • Acetic acid, phenyl-, 3,7-dimethyl-6-octenyl ester
  • Benzeneacetic acid, 3,7-dimethyl-6-octenyl ester
  • Citronellyl alpha-toluate
  • Citronellyl phenylacetate
  • EINECS 205-373-5
  • FEMA No. 2315
  • UNII-HH43UJ4D76

Systematic Names

  • 3,7-Dimethyl-6-octenyl phenylacetate
  • Acetic acid, phenyl-, 3,7-dimethyl-6-octenyl ester
  • Benzeneacetic acid, 3,7-dimethyl-6-octen-1-yl ester
  • Benzeneacetic acid, 3,7-dimethyl-6-octenyl ester

Superlist Name

  • Citronellyl phenylacetate

Registry Numbers

CAS Registry Number

  • 139-70-8

FDA UNII

  • HH43UJ4D76

System Generated Number

  • 0000139708

Structure Descriptors

InChI

1S/C18H26O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-11,16H,7,9,12-14H2,1-3H3

InChIKey

CVJBFMVLVJZZMM-UHFFFAOYSA-N

Smiles

c1(CC(OCC[C@@H](CC\C=C(\C)C)C)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 657, 1982.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 657, 1982.