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Substance Name: Cyclohexanone
RN: 108-94-1
UNII: 5QOR3YM052
InChIKey: JHIVVAPYMSGYDF-UHFFFAOYSA-N

Molecular Formula

  • C6-H10-O

Molecular Weight

  • 98.144
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative
  • Human Data
  • Mutation Data
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 3
  • Reportable Quantity (RQ) = 5000 lb
  • TWA 20 ppm; STEL 50 ppm; skin; Confirmed animal carcinogen with unknown relevance to humans
  • TWA 50 ppm (200 mg/m3)

Names and Synonyms

Name of Substance

  • Cyclohexanone

Synonyms

  • AI3-00041
  • Anon
  • Anone
  • Caswell No. 270
  • CCRIS 5897
  • Cicloesanone
  • Cicloesanone [Italian]
  • Cyclohexanon
  • Cyclohexanon [Dutch]
  • Cyclohexanone
  • Cyclohexyl ketone
  • Cykloheksanon
  • Cykloheksanon [Polish]
  • EC 203-631-1
  • EINECS 203-631-1
  • EPA Pesticide Chemical Code 025902
  • Hexanon
  • HSDB 186
  • Hytrol O
  • Ketohexamethylene
  • Nadone
  • NCI-C55005
  • NSC 5711
  • Pimelic ketone
  • Pimelin ketone
  • RCRA waste number U057
  • Sextone
  • UNII-5QOR3YM052

Systematic Name

  • Cyclohexanone

Superlist Names

  • Cyclohexanone
  • Cyclohexanone [UN1915] [Flammable liquid]
  • RCRA waste no. U057
  • UN1915

Registry Numbers

CAS Registry Number

  • 108-94-1

FDA UNII

  • 5QOR3YM052

System Generated Number

  • 0000108941

Structure Descriptors

InChI

1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2

InChIKey

JHIVVAPYMSGYDF-UHFFFAOYSA-N

Smiles

C1(CCCCC1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo subcutaneous 1900mg/kg (1900mg/kg) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 50, Pg. 199, 1903.
guinea pig LCLo inhalation 400ppm/4H (400ppm)   National Technical Information Service. Vol. AD-A066-307,
guinea pig LDLo intraperitoneal 760mg/kg (760mg/kg)   National Technical Information Service. Vol. AD-A066-307,
human TCLo inhalation 75ppm (75ppm) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION
Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 282, 1943.
mammal (species unspecified) LC50 inhalation 25gm/m3 (25000mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
mammal (species unspecified) LD50 oral 3gm/kg (3000mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988.
monkey LDLo intravenous 284mg/kg (284mg/kg)   Toxicology and Applied Pharmacology. Vol. 37, Pg. 115, 1976.
mouse LCLo inhalation 19200mg/m3/90 (19200mg/m3) GASTROINTESTINAL: OTHER CHANGES Toxicology and Applied Pharmacology. Vol. 49, Pg. 525, 1979.
mouse LD50 intraperitoneal 1230mg/kg (1230mg/kg) GASTROINTESTINAL: OTHER CHANGES Toxicology and Applied Pharmacology. Vol. 49, Pg. 525, 1979.
mouse LD50 oral 1400mg/kg (1400mg/kg)   National Technical Information Service. Vol. AD-A066-307,
mouse LDLo subcutaneous 1300mg/kg (1300mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 50, Pg. 199, 1903.
rabbit LD50 intraperitoneal 1540mg/kg (1540mg/kg) GASTROINTESTINAL: OTHER CHANGES Toxicology and Applied Pharmacology. Vol. 49, Pg. 525, 1979.
rabbit LD50 skin 1mL/kg (1mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rabbit LDLo oral 1600mg/kg (1600mg/kg) BEHAVIORAL: GENERAL ANESTHETIC Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 199, 1943.
rat LC50 inhalation 8000ppm/4H (8000ppm)   Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 18, 1974.
rat LD50 intraperitoneal 1130mg/kg (1130mg/kg) GASTROINTESTINAL: OTHER CHANGES Toxicology and Applied Pharmacology. Vol. 49, Pg. 525, 1979.
rat LD50 oral 1620uL/kg (1.62mL/kg)   American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.
rat LD50 subcutaneous 2170mg/kg (2170mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 415, 1943.
rat LDLo intravenous 568mg/kg (568mg/kg)   Toxicology and Applied Pharmacology. Vol. 37, Pg. 115, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.10E+01 deg C   EXP
Boiling Point 155.4 deg C   EXP
pKa Dissociation Constant 11.3 (none)   EXP
log P (octanol-water) 0.81 (none)   EXP
Water Solubility 2.50E+04 mg/L 25 EXP
Vapor Pressure 4.33 mm Hg 25 EXP
Henry's Law Constant 9.00E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 6.39E-12 cm3/molecule-sec 25 EXP

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