589-34-4

Name 3-METHYLHEXANE
CAS 589-34-4
EINECS(EC#) 209-643-3
Molecular Formula C7H16
MDL Number MFCD00009408
Molecular Weight 100.2
MOL File 589-34-4.mol
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Chemical Properties

Appearance CLEAR COLOURLESS LIQUID
Melting point  −119 °C(lit.)
Boiling point  91 °C(lit.)
density  0.687 g/mL at 25 °C(lit.)
vapor pressure  2.13 psi ( 37.7 °C)
refractive index  n20/D 1.388(lit.)
Fp  25 °F
solubility  Soluble in acetone, alcohol, benzene, chloroform, ligroin, and ether (Weast, 1986). Miscible with liquid aliphatic hydrocarbons.
form  clear liquid
color  Colorless to Almost colorless
explosive limit ~7%
Odor Threshold 0.84ppm
Water Solubility  2.64mg/L(25 ºC)
Thermal Conductivity 0.1112 W/(m·K) at 25 ℃
BRN  1718739
Henry's Law Constant 2.38 at 25 °C (Mackay and Shiu, 1981)
Dielectric constant 1.9299999999999999
InChI 1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3
InChIKey VLJXXKKOSFGPHI-UHFFFAOYSA-N
SMILES CCCC(C)CC
LogP 4.118 (est)
Uses
Organic synthesis, oil extender solvent.
CAS DataBase Reference 589-34-4(CAS DataBase Reference)
EPA Substance Registry System 3-Methylhexane (589-34-4)
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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 1206 3/PG 2
WGK Germany  1
Autoignition Temperature 536 °F
TSCA  TSCA listed
HS Code  2901.10.5000
HazardClass  3.1
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

Hazard Information

Material Safety Data Sheet(MSDS)

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