2207-01-4

Name CIS-1,2-DIMETHYLCYCLOHEXANE
CAS 2207-01-4
EINECS(EC#) 218-621-2
Molecular Formula C8H16
MDL Number MFCD00063621
Molecular Weight 112.21
MOL File 2207-01-4.mol
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Chemical Properties

Melting point  -49.99°C
Boiling point  129-130 °C(lit.)
density  0.796 g/mL at 25 °C(lit.)
vapor pressure  28 mm Hg ( 37.7 °C)
refractive index  n20/D 1.436(lit.)
Fp  54 °F
storage temp.  2-8°C, stored under nitrogen
solubility  Soluble in acetone, alcohol, benzene, ether, ligroin (Weast, 1986); miscible with cyclohexane and cycloheptane.
form  Liquid
pka >14 (Schwarzenbach et al., 1993)
color  Colorless to Almost colorless
Water Solubility  It is soluble in water. 6.0 g(1)/106 g(2) at 25°C.
Specific Heat Capacity Cp(liquid):210.2J/(g·K),at 25℃
Henry's Law Constant 0.354(atm?m3/mol) at 25 °C (Hine and Mookerjee, 1975)
InChI 1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3/t7-,8+
InChIKey KVZJLSYJROEPSQ-OCAPTIKFSA-N
SMILES C[C@@H]1CCCC[C@@H]1C
CAS DataBase Reference 2207-01-4(CAS DataBase Reference)
EPA Substance Registry System Cyclohexane, 1,2-dimethyl-, (1R,2S)-rel- (2207-01-4)
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Safety Data

Hazard Codes  F,Xn
Risk Statements 
R11:Highly Flammable.
R65:Harmful: May cause lung damage if swallowed.
Safety Statements 
S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S33:Take precautionary measures against static discharges .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
RIDADR  UN 2263 3/PG 2
WGK Germany  3
Autoignition Temperature 579°F
TSCA  Yes
HS Code  2902.19.0050
HazardClass  3
PackingGroup  II
Storage Class 3 - Flammable liquids
Hazard Classifications Aquatic Chronic 2
Asp. Tox. 1
Flam. Liq. 2
Toxicity
EC50 (48-h) for Daphnia pulex 3,235 μg/L (Smith et al., 1988).

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