591-76-4

Name 2-Methylhexane
CAS 591-76-4
EINECS(EC#) 209-730-6
Molecular Formula C7H16
MDL Number MFCD00009487
Molecular Weight 100.2
MOL File 591-76-4.mol

Chemical Properties

Appearance clear colorless liquid
Melting point  -118 °C
Boiling point  90 °C(lit.)
density  0.679 g/mL at 25 °C(lit.)
vapor pressure  2.27 psi ( 37.7 °C)
refractive index  n20/D 1.384(lit.)
Fp  25 °F
storage temp.  Flammables area
solubility  Soluble in acetone, alcohol, benzene, chloroform, ligroin, and ether (Weast, 1986). Miscible with liquid aliphatic hydrocarbons.
form  Liquid
color  Clear colorless
explosive limit ~7%
Water Solubility  3.8 mg/L at 23 °C (Coates et al., 1985)
2.54 mg/kg at 25 °C (shake flask-GLC, Price, 1976)
Specific Heat Capacity Cp(liquid):222.9J/(g·K),at 25℃
Thermal Conductivity 0.1105 W/(m·K) at 25 ℃
BRN  1696856
Henry's Law Constant 0.512 atm?m3/mol at 26.9 °C, 0.311 at 35.0 °C, 0.256 at 45.0 °C (dynamic headspace, Hansen et al., 1995)
Dielectric constant 1.9(20℃)
Exposure limits TLV-TWA: 200 ppm; TLV-STEL: 400 ppm
InChI 1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3
InChIKey GXDHCNNESPLIKD-UHFFFAOYSA-N
SMILES CCCCC(C)C
LogP 4.118 (est)
Uses
Organic synthesis.
CAS DataBase Reference 591-76-4(CAS DataBase Reference)
EPA Substance Registry System 2-Methylhexane (591-76-4)

Safety Data

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
GHS02,GHS07,GHS08,GHS09
Signal word  Danger
Hazard statements  H225-H304-H315-H336-H410
Precautionary statements  P210-P233-P273-P301+P310-P303+P361+P353-P331
Hazard Codes  F,Xn,N
Risk Statements 
R11:Highly Flammable.
R38:Irritating to the skin.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R65:Harmful: May cause lung damage if swallowed.
R67:Vapors may cause drowsiness and dizziness.
Safety Statements 
S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S29:Do not empty into drains .
S33:Take precautionary measures against static discharges .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
RIDADR  UN 3295 3/PG 2
WGK Germany  3
RTECS  MO3871500
Autoignition Temperature 536 °F
TSCA  TSCA listed
HazardClass  3.1
PackingGroup  II
HS Code  29011000
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

Hazard Information

Material Safety Data Sheet(MSDS)

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