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Substance Name: Citronellyl propionate
RN: 141-14-0
UNII: 87R1092U7J
InChIKey: POPNTVRHTZDEBW-UHFFFAOYSA-N

Molecular Formula

  • C13-H24-O2

Molecular Weight

  • 212.331
 
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Names and Synonyms

Name of Substance

  • Citronellyl propionate

Synonyms

  • 3,7-Dimethyl-6-octen-1-ol propanoate
  • 3,7-Dimethyl-6-octen-1-yl propanoate
  • 3,7-Dimethyl-6-octen-1-yl propionate
  • 6-Octen-1-ol, 3,7-dimethyl-, propanoate
  • 6-Octen-1-ol, 3,7-dimethyl-, propionate
  • AI3-24358
  • Citronellyl propanoate
  • Citronellyl propionate
  • Citronellyl propionate (natural)
  • EINECS 205-461-3
  • EINECS 278-466-1
  • FEMA No. 2316
  • Propionic acid, ester with citronellol (6CI)
  • UNII-87R1092U7J

Systematic Names

  • (1)-3,7-Dimethyloct-6-enyl propionate
  • 6-Octen-1-ol, 3,7-dimethyl-, 1-propanoate
  • 6-Octen-1-ol, 3,7-dimethyl-, propanoate
  • 6-Octen-1-ol, 3,7-dimethyl-, propionate (7CI,8CI)
  • Citronellyl propionate

Superlist Name

  • Citronellyl propionate

Registry Numbers

CAS Registry Number

  • 141-14-0

FDA UNII

  • 87R1092U7J

Other Registry Number

  • 76444-23-0

System Generated Number

  • 0000141140

Structure Descriptors

InChI

1S/C13H24O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3

InChIKey

POPNTVRHTZDEBW-UHFFFAOYSA-N

Smiles

C([C@@H](CC\C=C(\C)C)C)COC(CC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 759, 1975.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 759, 1975.