Tert-Butyl Hydroperoxide
CAS Number: 75-91-2
Chemical Formula: C6H14
Appearance: Colorless liquid
HS Code: 29011000
MOQ (Minimum Order Quantity): 1 FCL (Full Container Load)
Products Description of Tert-Butyl Hydroperoxide CAS#75-91-2
Hexane, also referred to as n-hexane (note: "hexane" usually denotes the straight-chain isomer in industrial contexts), has a molecular formula of C₆H₁₄ and a molecular weight of 86.2. It is a straight-chain saturated aliphatic hydrocarbon, produced through the cracking and fractional distillation of crude oil.It appears as a colorless, volatile liquid with a gasoline-like odor. Key physical parameters include a melting point (MP) of -95℃ (corrected for common typo), a boiling point of 68.95℃, and a vapor density of 2.97 (relative to air = 1). It is nearly insoluble in water but readily soluble in chloroform, ether, and ethanol.As a common organic solvent, hexane is widely used in manufacturing processes such as rubber production, pharmaceuticals, perfumes, footwear, leather, textiles, furniture, and coatings. In recent years, it has also been employed as a diluent in adhesive production or as an organic cleaning agent—becoming a major cause of occupational hexane poisoning incidents in China.
Parameters
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 +5°C to +30°C. |
solubility | Very soluble in ethanol, ethyl ether and chloroform. |
form | Liquid |
pka | >14 (Schwarzenbach et al., 1993) |
color | Colorless |
Specific Gravity | 0.660 (20/4℃) |
Odor | Mild gasoline-like odor detectable at 65 to 248 ppm |
Relative polarity | 0.009 |
PH | 7 |
Odor Threshold | 1.5ppm |
explosive limit | 1.0-8.1%(V) |
Water Solubility | insoluble |
λmax | λ: 200 nm Amax: ≤0.70 |
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) |
Dielectric constant | 2.0（-90℃） |
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 |
Surface tension | 18.52mN/m at 293.15K |
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 Information
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 |
OEB | A |
OEL | TWA: 50 ppm (180 mg/m3) |
WGK Germany | 3 |
RTECS | MN9275000 |
F | 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] |
Product Application of Tert-Butyl Hydroperoxide CAS#75-91-2
It is utilized in solvents, extraction processes, and organic synthesis—for instance, as a cleaning agent in the electronics industry, an extractant in the pharmaceutical industry, and an extractant for edible vegetable oils, among other applications.
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