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110-54-3

Name Hexane
CAS 110-54-3
EINECS(EC#) 203-523-4
Molecular Formula C6H14
MDL Number MFCD02179311
Molecular Weight 86.18
MOL File 110-54-3.mol

Chemical Properties

Appearance n-Hexane is a highly flammable, colorless, volatile liquid with a gasoline-like odor. The water/odor threshold is 0.0064 mg/L and the air/odor threshold is 230 875 milligram per cubic meter.
Melting point  -95 °C
Boiling point  68.95 °C(lit.)
density  0.659 g/mL at 25 °C(lit.)
vapor density  3.5 (vs air)
vapor pressure  40 mm Hg ( 20 °C)
refractive index  n20/D 1.388
Fp  30 °F
storage temp.  Store at RT.
solubility  Very soluble in ethanol, ethyl ether and chloroform.
form  Liquid
pka >14 (Schwarzenbach et al., 1993)
Specific Gravity 0.660 (20/4℃)
color  Colorless
Relative polarity 0.009
Odor Mild gasoline-like odor detectable at 65 to 248 ppm
Stability: Stable. Incompatible with oxidizing agents, chlorine, fluorine, magnesium perchlorate. Highly flammable. Readily forms explosive mixtures with air. Note low flash point.
explosive limit 1.0-8.1%(V)
Odor Threshold 1.5ppm
Water Solubility  insoluble
λmax λ: 200 nm Amax: ≤0.70
λ: 225 nm Amax: ≤0.10
λ: 250 nm Amax: ≤0.01
Merck  14,4694
Detection Methods GC
BRN  1730733
Henry's Law Constant 0.238, 0.413, 0.883, 0.768, and 1.56 at 10, 15, 20, 25, and 30 °C, respectively (EPICS, Ashworth et al., 1988)
Exposure limits TLV-TWA 50 ppm (~175 mg/m3) (ACGIH), 500 ppm (~1750 mg/m3) (OSHA); IDLH 5000 ppm (NIOSH).
InChIKey VLKZOEOYAKHREP-UHFFFAOYSA-N
CAS DataBase Reference 110-54-3(CAS DataBase Reference)
NIST Chemistry Reference Hexane(110-54-3)
EPA Substance Registry System Hexane (110-54-3)

Safety Data

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.
R62:Possible risk of impaired fertility.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R48/20:Harmful: danger of serious damage to health by prolonged exposure through inhalation .
R36/37/38:Irritating to eyes, respiratory system and skin .

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 .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S53:Avoid exposure-obtain special instruction before use .

RIDADR  UN 3295 3/PG 2
WGK Germany  3
RTECS  MN9275000
3-10
Autoignition Temperature 225 °C
TSCA  Yes
HazardClass  3
PackingGroup  II
HS Code  29011000
Hazardous Substances Data 110-54-3(Hazardous Substances Data)
Toxicity

LC50 (4 hr) in mice by inhalation: 48000 ppm; LD50 orally in rats: 32.0 g/kg (Couri, Milks)

IDLA 1,100 ppm [10% LEL]

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