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Methylcyclohexane Structure

Methylcyclohexane

Chemical Properties

Melting point -126 °C (lit.)
Boiling point 101 °C (lit.)
Density  0.77 g/mL at 25 °C (lit.)
vapor density  3.4 (vs air)
vapor pressure  37 mm Hg ( 20 °C)
refractive index  n20/D 1.422(lit.)
Flash point 25 °F
storage temp.  Store below +30°C.
solubility  Miscible with acetone, benzene, ether, carbon tetrachloride, ethanol, insoluble in water.
form  Liquid
color  Colorless
Odor Faint, petroleum-like
explosive limit 1.1-6.7%(V)
Odor Threshold 0.15ppm
Water Solubility  0.1 g/L (20 ºC)
Specific Heat Capacity Cp(liquid): 1.88 J/(g·K), at 25℃
λmax λ: 207 nm Amax: 1.00
λ: 221 nm Amax: 0.40
λ: 232 nm Amax: 0.15
λ: 260 nm Amax: 0.05
λ: 300-400 nm Amax: 0.01
Merck  14,6047
BRN  505972
Henry's Law Constant 0.0678 at 25.0 °C (Ramachandran et al., 1996)
Dielectric constant 2.1(25℃)
Exposure limits ACGIH:TLV-TWA 100 ppm
OSHA:PEL-TWA 500 ppm (2000 mg/m3)
NIOSH:REL-TWA 400 ppm
Stability Stable. Very flammable. Incompatible with strong oxidizing agents.
Major Application environmental
InChI 1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKey UAEPNZWRGJTJPN-UHFFFAOYSA-N
SMILES CC1CCCCC1
LogP 3.88
CAS DataBase Reference 108-87-2(CAS DataBase Reference)
NIST Chemistry Reference Cyclohexane, methyl-(108-87-2)
EPA Substance Registry System Methylcyclohexane (108-87-2)

Safety Information

Hazard Codes  F,Xn,N
Risk Statements  11-38-51/53-65-67
Safety Statements  9-16-33-61-62
OEB A
OEL TWA: 400 ppm (1600 mg/m3)
RIDADR  UN 2296
WGK Germany  2
RTECS  GV6125000
F  3-10
Autoignition Temperature 545 °F
TSCA  TSCA listed
HS Code  2902 19 00
HazardClass  3
PackingGroup  II
Storage Class 3 - Flammable liquids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Asp. Tox. 1
Flam. Liq. 2
Skin Irrit. 2
STOT SE 3
Hazardous Substances Data 108-87-2(Hazardous Substances Data)
Toxicity Acute oral LD50 for mice 2,250 mg/kg (quoted, RTECS, 1985).
IDLA 1,200 ppm [10% LEL]

MSDS

Usage And Synthesis

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