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Hexane Structure

Hexane

Chemical Properties

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
Flash point 30 °F
storage temp.  Store at +5°C to +30°C.
solubility  Very soluble in ethanol, ethyl ether and chloroform.
pka >14 (Schwarzenbach et al., 1993)
form  Liquid
color  Colorless
Specific Gravity 0.660 (20/4℃)
Odor Mild gasoline-like odor detectable at 65 to 248 ppm
Relative polarity 0.009
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
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).
Stability Stable. Incompatible with oxidizing agents, chlorine, fluorine, magnesium perchlorate. Highly flammable. Readily forms explosive mixtures with air. Note low flash point.
InChIKey VLKZOEOYAKHREP-UHFFFAOYSA-N
LogP 4 at 20℃ and pH7
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

Symbol(GHS)
Signal wordDanger
Hazard statements H225-H304-H315-H336-H361f-H373-H411
Precautionary statements P201-P210-P273-P301+P310-P303+P361+P353-P331
Hazard Codes  F,Xn,N
Risk Statements  11-38-50/53-65-67-62-51/53-48/20-36/37/38
Safety Statements  9-16-29-33-60-61-62-36/37-45-36/37/39-53-26
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]
NFPA 704:
3
0

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