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Send EmailHEXANOL, 1-HEXANOL, n-Hexyl Alcohol, Hexyl Alcohol, Caproyl Alcohol, C6 Alcohol, 111-27-3
1-HEXANOL (n-Hexyl Alcohol, C6 Alcohol)
1. IDENTIFICATION
| Property | Information |
|---|---|
| Product name | 1-Hexanol |
| Synonyms | n-Hexyl alcohol, Hexyl alcohol, Caproyl alcohol, C6 alcohol |
| CAS number | 111-27-3 |
| EINECS number | 203-852-3 |
| Molecular formula | C₆H₁₄O / CH₃(CH₂)₅OH |
| Molecular weight | 102.17 g/mol |
2. PHYSICAL AND CHEMICAL PROPERTIES
| Parameter | Value |
|---|---|
| Appearance | Colorless clear liquid |
| Odor | Characteristic, sweetish, alcoholic |
| Density (20°C) | 0.814 – 0.819 g/cm³ |
| Melting point | –44.6 °C |
| Boiling point | 156 – 158 °C |
| Flash point (closed cup) | 63 °C |
| Autoignition temperature | ~290 °C |
| Vapor pressure (20°C) | 0.13 kPa |
| Viscosity (20°C) | ~4.6 mPa·s |
| Refractive index (n²⁰/D) | 1.416 – 1.418 |
| Solubility in water (20°C) | 5.9 g/L (slightly soluble) |
| Solubility in organics | Miscible with ethanol, ether, acetone, chloroform |
| pH (aqueous solution) | ~7 (neutral) |
| Partition coefficient (log P octanol/water) | 2.03 |
| Freezing point | –45 °C |
| Evaporation rate (butyl acetate = 1) | ~0.1 |
3. TYPICAL SPECIFICATIONS
| Test | Specification |
|---|---|
| Purity (GC, %) | ≥ 99.0 (typical 99.5) |
| Water content (KF, %) | ≤ 0.1 |
| Color (Pt-Co, APHA) | ≤ 10 |
| Acidity (as acetic acid, %) | ≤ 0.01 |
| Carbonyl number (mg KOH/g) | ≤ 0.1 |
| Bromine index (mg Br₂/100g) | ≤ 50 |
| Distillation range (95%) | 155 – 158 °C |
4. APPLICATIONS
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Plasticizers: Intermediate for production of hexyl phthalate, hexyl adipate and other esters for PVC and polymers.
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Fragrance & flavor industry: Provides fruity, woody, floral notes in perfumes, soaps, detergents, lotions, shampoos.
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Surfactants: Synthesis of hexyl sulfonate and other sulfate derivatives.
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Industrial solvent: For paints, coatings, resins, printing inks.
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Food additive: Flavoring agent (permitted in some countries, FEMA 2567).
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Analytical standard: GC and HPLC calibration.
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Synthetic lubricants: In high-temperature stability applications.
5. SAFETY AND TRANSPORT INFORMATION
| Class | Information |
|---|---|
| ADR/RID class | 3 (Flammable liquid) |
| UN number | 2282 |
| Packing group | III |
| Hazard symbols | Xi (Irritant) |
| R-phrases | R38 (Irritating to skin), R36/37/38 (Irritating to eyes, respiratory system, skin) |
| S-phrases | S24/25 (Avoid contact with skin and eyes), S26 (In case of eye contact, rinse immediately with plenty of water) |
| NFPA 704 | Health: 1, Flammability: 2, Reactivity: 0 |
| Storage | Cool, dry, well-ventilated, away from ignition sources; can be kept under inert gas (nitrogen) |
| Container materials | Stainless steel, carbon steel, aluminum, polyethylene |
6. TOXICOLOGICAL AND ECOTOXICOLOGICAL INFORMATION
| Parameter | Value |
|---|---|
| Acute oral toxicity (LD50, rat) | ~4590 mg/kg |
| Acute dermal toxicity (LD50, rabbit) | > 2000 mg/kg |
| Inhalation toxicity (LC50, rat, 4 h) | > 5.7 mg/L |
| Skin irritation | Mild to moderate irritant |
| Eye irritation | Moderate irritant |
| Mutagenicity | Negative (Ames test) |
| Bioaccumulation potential | Low (log P < 3) |
| Aquatic toxicity (Fish, 96 h LC50) | 50 – 100 mg/L (Leuciscus idus) |
| Biodegradability | Readily biodegradable (>60%, 28 days) |
7. SHELF LIFE AND STORAGE CONDITIONS
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Shelf life: 24 months in original unopened container under proper conditions.
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Storage temperature: 15 – 30 °C.
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Recommended packaging: 170 kg drum, 850 kg IBC, bulk tanker.
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Incompatible materials: Strong oxidizers, acid chlorides, anhydrides, organic peroxides.
8. REGULATORY INFORMATION (Selected)
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TSCA (USA): Listed
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EINECS (EU): Listed (203-852-3)
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DSL (Canada): Listed
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AICS (Australia): Listed
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ECL (Korea): Listed
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IECSC (China): Listed
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VOC content: 1000 g/L (within EU directive limits)
