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Substance Name: Methylcyclohexane
RN: 108-87-2
UNII: H5WXT3SV31
InChIKey: UAEPNZWRGJTJPN-UHFFFAOYSA-N

Classification Codes

  • TWA (400 ppm)
  • TWA 500 ppm (2000 mg/m3)

Molecular Formula

  • C7-H14

Molecular Weight

  • 98.1876
 

Names and Synonyms

Name of Substance

  • Methylcyclohexane

Synonyms

  • AI3-18132
  • Cyclohexane, methyl-
  • Cyclohexylmethane
  • EC 203-624-3
  • EINECS 203-624-3
  • Hexahydrotoluene
  • Hexahydroxytoluene
  • HSDB 98
  • Methylcyclohexane
  • Metylocykloheksan
  • Metylocykloheksan [Polish]
  • NSC 9391
  • Sextone B
  • Toluene hexahydride
  • Toluene, hexahydro-
  • UNII-H5WXT3SV31

Systematic Names

  • Cyclohexane, methyl-
  • Methylcyclohexane

Superlist Names

  • Cyclohexane, methyl-
  • Methylcyclohexane
  • Methylcyclohexane [UN2296] [Flammable liquid]
  • UN2296

Registry Numbers

CAS Registry Number

  • 108-87-2

FDA UNII

  • H5WXT3SV31

System Generated Number

  • 0000108872

Structure Descriptors

InChI

1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3

InChIKey

UAEPNZWRGJTJPN-UHFFFAOYSA-N

Smiles

CC1CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 41500mg/m3/2H (41500mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 82, 1982.
mouse LD50 oral 2250mg/kg (2250mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 82, 1982.
rabbit LC50 inhalation 15227ppm/1H (15227ppm) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: GENERAL ANESTHETIC
Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 323, 1943.
rabbit LD skin > 86700mg/kg (86700mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 199, 1943.
rabbit LDLo oral 4gm/kg (4000mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 199, 1943.
rat LCLo inhalation 82gm/m3/1H (82000mg/m3) BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: GENERAL ANESTHETIC
National Technical Information Service. Vol. OTS0556685,
rat LD50 oral > 3200mg/kg (3200mg/kg)   National Technical Information Service. Vol. OTS0556685,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.27E+02 deg C   EXP
Boiling Point 100.9 deg C   EXP
log P (octanol-water) 3.61 (none)   EXP
Water Solubility 14 mg/L 25 EXP
Vapor Pressure 46 mm Hg 25 EXP
Henry's Law Constant 0.43 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.04E-11 cm3/molecule-sec 25 EXP

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