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Substance Name: Cycloheptanone
RN: 502-42-1
UNII: QH80295937
InChIKey: CGZZMOTZOONQIA-UHFFFAOYSA-N

Molecular Formula

  • C7-H12-O

Molecular Weight

  • 112.1708
 
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Names and Synonyms

Name of Substance

  • Cycloheptanone

Synonyms

  • AI3-09538
  • Cycloheptanone
  • EINECS 207-937-6
  • HSDB 2819
  • Ketocycloheptane
  • Ketoheptamethylene
  • NSC 9471
  • Suberon
  • Suberone
  • UNII-QH80295937

Systematic Name

  • Cycloheptanone

Registry Numbers

CAS Registry Number

  • 502-42-1

FDA UNII

  • QH80295937

System Generated Number

  • 0000502421

Structure Descriptors

InChI

1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2

InChIKey

CGZZMOTZOONQIA-UHFFFAOYSA-N

Smiles

C1(=O)CCCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 750mg/kg (750mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: COMA

CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)
Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 254, Pg. 2245, 1962.
mouse LDLo subcutaneous 930mg/kg (930mg/kg) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

BEHAVIORAL: COMA

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 50, Pg. 199, 1903.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 178.5 deg C   EXP
log P (octanol-water) 1.620 (none)   EST
Water Solubility 4450 mg/L 25 EST
Henry's Law Constant 6.79E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.35E-11 cm3/molecule-sec 25 EST

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