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Substance Name: (+)-cis-Chrysanthemumic acid
RN: 26771-11-9
UNII: 5P7V8620AM
InChIKey: XLOPRKKSAJMMEW-YUMQZZPRSA-N

Molecular Formula

  • C10-H16-O2

Molecular Weight

  • 168.2344
 
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Names and Synonyms

Results Name

  • (+)-cis-Chrysanthemumic acid

Name of Substance

  • Chrysanthemic acid, cis-(+)-

Synonyms

  • (+)-cis-Chrysanthemumic acid
  • (1R)-cis-Chrysanthemic acid
  • (1R,3S)-Chrysanthemic acid
  • 4-09-00-00168 (Beilstein Handbook Reference)
  • BRN 2043420
  • cis-(+)-Chrysanthemic acid
  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1R-cis)-
  • EINECS 247-996-5
  • UNII-5P7V8620AM

Systematic Names

  • (1R-cis)-2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylic acid
  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1R,3S)-
  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1R,3S)-
  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (1R-cis)- (9CI)
  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-, (1R,3S)-(+)-

Registry Numbers

CAS Registry Number

  • 26771-11-9

FDA UNII

  • 5P7V8620AM

Other Registry Number

  • 182966-03-6

System Generated Number

  • 0026771119

Structure Descriptors

InChI

1S/C10H16O2/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H,11,12)/t7-,8-/m0/s1

InChIKey

XLOPRKKSAJMMEW-YUMQZZPRSA-N

Smiles

CC(=C[C@H]1[C@@H](C(=O)O)C1(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 22, Pg. 212, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 41 deg C   EXP
log P (octanol-water) 3.490 (none)   EST
Atmospheric OH Rate Constant 8.81E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.