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Substance Name: Chrysanthemic acid
RN: 10453-89-1
UNII: 774IH300I2
InChIKey: XLOPRKKSAJMMEW-UHFFFAOYSA-N

Note

  • Occurs as esters in pyrethrum flowers.

Classification Code

  • Mutation Data

Molecular Formula

  • C10-H16-O2

Molecular Weight

  • 168.2344
 
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Names and Synonyms

Name of Substance

  • Chrysanthemic acid

Synonyms

  • 2-(1-Isobutenyl)-3,3-dimethylcyclopropanecarboxylic acid
  • 2-09-00-00047 (Beilstein Handbook Reference)
  • 3-Isobutenyl-2,2-dimethylcyclopropanecarboxylic acid
  • AI3-20453
  • BRN 2043418
  • CCRIS 2496
  • Chrysanthemic acid
  • Chrysanthemumic acid
  • Chrysanthemummonocarboxylic acid
  • D,L-cis,trans-Chrysanthemic acid
  • EINECS 233-941-2
  • NSC 11779
  • UNII-774IH300I2

Systematic Names

  • 2,2-Dimethyl-3-(2-methylpropenyl)cyclopropanecarboxylic acid
  • Chrysanthemic acid
  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-
  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-
  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methylpropenyl)-

Registry Numbers

CAS Registry Number

  • 10453-89-1

FDA UNII

  • 774IH300I2

Other Registry Numbers

  • 30636-83-0
  • 497-68-7

System Generated Number

  • 0010453891

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)

InChIKey

XLOPRKKSAJMMEW-UHFFFAOYSA-N

Smiles

CC(=CC1C(C1(C)C)C(=O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 2500mg/kg (2500mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 16, 1986.
mammal (species unspecified) LC50 inhalation > 586mg/m3 (586mg/m3) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 16, 1986.
mouse LC inhalation > 400mg/m3 (400mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(7), Pg. 53, 1987.
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   National Technical Information Service. Vol. AD691-490,
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00083,
mouse LD50 oral 1250mg/kg (1250mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 16, 1986.
mouse LD50 skin > 5gm/kg (5000mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 16, 1986.
rat LC inhalation > 400mg/m3 (400mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 31(7), Pg. 53, 1987.
rat LD50 oral 2500mg/kg (2500mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 16, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
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.