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)
Hexane is also known as hexane, with a molecular formula of C6H14 and a molecular weight of 86.2. It belongs to the class of straight-chain saturated aliphatic hydrocarbons and is obtained by cracking and fractionating crude oil. It is a colorless, gasoline‑smelling, volatile liquid with a melting point (MP) of −95 °C, a boiling point of 68.95 °C, and a vapor density of 2.97 (air = 1). It is almost insoluble in water, but easily soluble in chloroform, ether, and ethanol. Hexane is an organic solvent and is commonly used in the production of rubber, pharmaceuticals, perfumes, shoes, leather, textiles, furniture, paints, and other processes. In recent years, hexane has been used as a diluent in the production of adhesives or as an organic cleaner, becoming the culprit of occupational hexane poisoning incidents in my country.
Parameters
| Parameter | Value |
| 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 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) |
| 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
| Item | Details |
| 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
Used in solvents, extraction, and organic synthesis, such as cleaning in the electronics industry, as an extractant in the pharmaceutical industry, and as an extractant for edible vegetable oils, etc.
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