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Substance Name: Acetic acid, citronellyl ester
RN: 150-84-5
UNII: IZ420RT3OY
InChIKey: JOZKFWLRHCDGJA-UHFFFAOYSA-N

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C12-H22-O2

Molecular Weight

  • 198.304
 
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Names and Synonyms

Name of Substance

  • 3,7-Dimethyl-6-octen-1-ol acetate
  • 6-Octen-1-ol, 3,7-dimethyl-, acetate
  • Acetic acid, citronellyl ester
  • Citronellyl acetate

Synonyms

  • 1-02-00-00065 (Beilstein Handbook Reference)
  • 1-Acetoxy-3,7-dimethyloct-6-ene
  • 2-Octen-8-ol, 2,6-dimethyl-, acetate
  • 3,7-Dimethyl-6-octen-1-yl acetate
  • 3,7-Dimethyl-6-octen-1-yl ethanoate
  • 6-Octen-1-ol, 3,7-dimethyl-, acetate
  • Acetic acid, 3,7-dimethyl-6-octen-1-yl ester
  • Acetic acid, citronellyl ester
  • AI3-02039
  • BRN 1723886
  • Citronellol acetate
  • Citronellyl acetate
  • Citronellyl ethanoate
  • Ctronellyl acetate (natural)
  • EC 205-775-0
  • EINECS 205-775-0
  • EINECS 266-837-0
  • FEMA No. 2311
  • FEMA No. 2981
  • Natural rhodinol, acetylated
  • NSC 4893
  • Rhodinyl acetate
  • UNII-IZ420RT3OY

Systematic Names

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

Superlist Name

  • Citronellyl acetate

Registry Numbers

CAS Registry Number

  • 150-84-5

FDA UNII

  • IZ420RT3OY

Other Registry Number

  • 67650-82-2

System Generated Number

  • 0000150845

Structure Descriptors

InChI

1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3

InChIKey

JOZKFWLRHCDGJA-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 6800mg/kg (6800mg/kg)   Food and Cosmetics Toxicology. Vol. 11, Pg. 1069, 1973.