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Substance Name: Cyclohexanone peroxide
RN: 78-18-2
UNII: 3P1S15N7AV
InChIKey: UICXTANXZJJIBC-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C12-H22-O5

Molecular Weight

  • 246.3008
 
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Names and Synonyms

Name of Substance

  • Cyclohexanone peroxide

Synonyms

  • 1-Hydroperoxycyclohexyl-1-hydroxycyclohexyl peroxide
  • 1-Hydroxy-1'-hydroperoxydicyclohexyl peroxide
  • 4-07-00-00020 (Beilstein Handbook Reference)
  • BRN 1567208
  • Cyclohexanol, 1-((1-hydroperoxycyclohexyl)dioxy)-
  • EINECS 201-091-1
  • HSDB 281
  • Perhexa P
  • Peroxide, 1-hydroperoxycyclohexyl 1-hydroxycyclohexyl
  • UNII-3P1S15N7AV

Systematic Names

  • 1-Hydroperoxycyclohexyl 1-hydroxycyclohexyl peroxide
  • Cyclohexanol, 1-((1-hydroperoxycyclohexyl)dioxy)-

Superlist Name

  • Cyclohexanone peroxide

Registry Numbers

CAS Registry Number

  • 78-18-2

FDA UNII

  • 3P1S15N7AV

System Generated Number

  • 0000078182

Structure Descriptors

InChI

1S/C12H22O5/c13-11(7-3-1-4-8-11)16-17-12(15-14)9-5-2-6-10-12/h13-14H,1-10H2

InChIKey

UICXTANXZJJIBC-UHFFFAOYSA-N

Smiles

OOC1(CCCCC1)OOC2(O)CCCCC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 parenteral 2gm/kg (2000mg/kg)   National Clearinghouse for Poison Control Centers, Bulletin. Vol. Jan/Feb, Pg. 1969,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.880 (none)   EST
Water Solubility 39.3 mg/L 25 EST
Vapor Pressure 7.07E-07 mm Hg 25 EST
Henry's Law Constant 2.44E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.42E-12 cm3/molecule-sec 25 EST

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