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Substance Name: Citronellyl formate
RN: 105-85-1
UNII: 7B1MY2BRDK
InChIKey: DZNVIZQPWLDQHI-UHFFFAOYSA-N

Note

  • A volatile oil from Pelargonium graveoleus.

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C11-H20-O2

Molecular Weight

  • 184.277
 
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Names and Synonyms

Name of Substance

  • Citronellyl formate

Synonyms

  • 2,6-Dimethyl-2-octen-8-yl formate
  • 2-02-00-00032 (Beilstein Handbook Reference)
  • 3,7-Dimethyl-6-octen-1-yl formate
  • 3,7-Dimethyl-6-octen-1-yl methanoate
  • 6-Octen-1-ol, 3,7-dimethyl-, formate
  • AI3-24239
  • BRN 1723215
  • Citronellol formate (6CI)
  • Citronellyl formate
  • Citronellyl methanoate
  • EINECS 203-338-9
  • EINECS 300-075-2
  • FEMA No. 2314
  • FEMA No. 2984
  • Formic acid, 3,7-dimethyl-6-octen-1-yl ester
  • Formic acid, citronellyl ester
  • NSC 46117
  • Rhodinyl formate
  • UNII-7B1MY2BRDK

Systematic Names

  • (1)-3,7-Dimethyloct-6-enyl formate
  • 6-Octen-1-ol, 3,7-dimethyl-, 1-formate
  • 6-Octen-1-ol, 3,7-dimethyl-, formate
  • Citronellyl formate

Superlist Name

  • Citronellyl formate

Registry Numbers

CAS Registry Number

  • 105-85-1

FDA UNII

  • 7B1MY2BRDK

Other Registry Number

  • 93919-90-5

System Generated Number

  • 0000105851

Structure Descriptors

InChI

1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3

InChIKey

DZNVIZQPWLDQHI-UHFFFAOYSA-N

Smiles

C([C@@H](CCOC=O)C)C\C=C(\C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 8400mg/kg (8400mg/kg)   Food and Cosmetics Toxicology. Vol. 11, Pg. 1073, 1973.