Chem
J-GLOBAL ID：200907004504396997   Nikkaji number：J11.776E

Citronellic acid

シトロネル酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C10H18O2
Molecular formula furigana： C10-H18-O2
Molecular weight： 170.252
InChI： InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)
InChI key： GJWSUKYXUMVMGX-UHFFFAOYSA-N
SMILES： CC(CCC=C(C)C)CC(=O)O
Systematic name  (3)：
  • 3,7-ジメチル-6-オクテン酸
  • 3,7-ジメチルオクタ-6-エン酸
  • 3,7-dimethyloct-6-enoic acid
Other name (3)：
  • シトロネル酸
  • Citronellic acid
  • 3,7-Dimethyl-6-octenoic acid
CAS registry number： 502-47-6
Regulation number (4)：
  • RH3230000
  • EINECS2079397
  • TSCA(502-47-6)
  • (2)-609
KEGG COMPOUND： C16462
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