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Substance Name: Cyclohexyl acetoacetate
RN: 6947-02-0
UNII: FZ8SGS0N2B
InChIKey: GJOSRMAVDXJBCZ-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Insect Attractant, Repellent and Chemosterilant

Molecular Formula

  • C10-H16-O3

Molecular Weight

  • 184.233
 
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Names and Synonyms

Name of Substance

  • Cyclohexyl acetoacetate

Synonyms

  • 4-06-00-00050 (Beilstein Handbook Reference)
  • AI3-06230
  • BRN 1950710
  • Cyclohexyl 3-oxobutanoate
  • Cyclohexyl acetoacetate
  • Cyclohexyl acetonacetate
  • Cyclohexylacetonacetate
  • EINECS 230-111-1
  • NSC 57391
  • UNII-FZ8SGS0N2B

Systematic Names

  • Acetoacetic acid, cyclohexyl ester
  • Butanoic acid, 3-oxo-, cyclohexyl ester (9CI)
  • Cyclohexyl acetoacetate

Registry Numbers

CAS Registry Number

  • 6947-02-0

FDA UNII

  • FZ8SGS0N2B

System Generated Number

  • 0006947020

Structure Descriptors

InChI

InChI=1S/C10H16O3/c1-8(11)7-10(12)13-9-5-3-2-4-6-9/h9H,2-7H2,1H3

InChIKey

GJOSRMAVDXJBCZ-UHFFFAOYSA-N

Smiles

CC(=O)CC(=O)OC1CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 7200uL/kg (7.2mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
mouse LD50 skin > 10mL/kg (10mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.580 (none)   EST
Water Solubility 230 mg/L 35 EXP
Atmospheric OH Rate Constant 1.21E-11 cm3/molecule-sec 25 EST

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