cis-1,2-Dimethylcyclohexane Structure

cis-1,2-Dimethylcyclohexane

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.)
Flash point 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): 1.87 J/(g·K), at 25℃
Henry's Law Constant 0.354(atmm3/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)
FDA UNII E1O9N97RTZ
EPA Substance Registry System Cyclohexane, 1,2-dimethyl-, (1R,2S)-rel- (2207-01-4)
UNSPSC Code 12352100

Safety

Symbol(GHS) Flame (GHS02)Health Hazard (GHS08)
Signal wordDanger
Hazard statements H225-H304
Precautionary statements P233-P240-P241+P242+P243-P280-P301+P310+P331-P303+P361+P353-P370+P378-P403+P235-P405-P501-P210-P301+P310-P331-P241-P280a-P501a
Hazard Codes  F,Xn
Risk Statements  11-65
Safety Statements  9-16-33-62
RIDADR  UN 2263 3/PG 2
WGK Germany  3
Autoignition Temperature 579°F
TSCA  TSCA listed
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).
NFPA 704:
3
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cis-1,2-Dimethylcyclohexane Chemical Properties,Usage,Production

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