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Substance Name: Citronellyl butyrate
RN: 141-16-2
UNII: IY68QPD54V
InChIKey: XQPZQXTWYZAXAK-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C14-H26-O2

Molecular Weight

  • 226.357
 
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Names and Synonyms

Name of Substance

  • Citronellyl butyrate

Synonyms

  • 2,6-Dimethyl-2-octen-8-ol, butyrate
  • 2,6-Dimethyl-2-octen-8-yl butyrate
  • 2-02-00-00248 (Beilstein Handbook Reference)
  • 3,7-Dimethyl-6-octen-1-yl butyrate
  • 3,7-Dimethyl-6-octenyl butanoate
  • 3,7-Dimethyl-6-octenyl butyrate
  • 6-Octen-1-ol, 3,7-dimethyl-, butyrate
  • AI3-24200
  • BRN 1707201
  • Butanoic acid, 3,7-dimethyl-6-octenyl ester
  • Butyric acid, 3,7-dimethyl-6-octenyl ester
  • Butyric acid, ester with citronellol
  • Citronellyl butanoate
  • Citronellyl butyrate
  • Citronellyl butyrate (natural)
  • Citronellyl n-butyrate
  • EINECS 205-463-4
  • EINECS 278-467-7
  • FEMA No. 2312
  • FEMA No. 2982
  • Natural rhodinol, butylated
  • NSC 46147
  • Rhodinyl butyrate
  • UNII-IY68QPD54V

Systematic Names

  • (1)-3,7-Dimethyloct-6-enyl butyrate
  • 6-Octen-1-ol, 3,7-dimethyl-, butyrate
  • Butanoic acid, 3,7-dimethyl-6-octen-1-yl ester
  • Butanoic acid, 3,7-dimethyl-6-octenyl ester
  • Butyric acid, 3,7-dimethyl-6-octenyl ester (8CI)
  • Citronellyl butyrate

Superlist Name

  • Citronellyl butyrate

Registry Numbers

CAS Registry Number

  • 141-16-2

FDA UNII

  • IY68QPD54V

Other Registry Numbers

  • 134982-45-9
  • 76444-24-1

System Generated Number

  • 0000141162

Structure Descriptors

InChI

1S/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3

InChIKey

XQPZQXTWYZAXAK-UHFFFAOYSA-N

Smiles

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