1-Hexene
- Iupac Name：hex-1-ene
- CAS No.: 592-41-6
- Molecular Weight：84.15948
- Modify Date.: 2022-11-05 06:01
- Introduction:
1-Hexene, with the chemical formula C6H12 and CAS registry number 592-41-6, is a compound known for its applications in various industries. This colorless liquid is characterized by its six carbon atoms and double bond, which gives it its unique properties. 1-Hexene is commonly used as a monomer in the production of polyethylene, a versatile plastic material. It is also used as a solvent and as a starting material for the synthesis of other compounds. With its wide range of applications, 1-Hexene plays a crucial role in the manufacturing of various products, including plastics, detergents, and lubricants.
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1. Names and Identifiers
- 1.1 Name
- 1-Hexene
- 1.2 Synonyms
1-Hexene [Standard Material] 1-Hexene [Standard Material for GC] 1-n-Hexene Dialen 6 Hexane-1-ene Hexene Linealene 6 N-HEXENE NSC 74121 α-Hexene
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- 1.3 CAS No.
- 592-41-6
- 1.4 CID
- 11597
- 1.5 EINECS(EC#)
- 209-753-1
- 1.6 Molecular Formula
- C6H12 (isomer)
- 1.7 Inchi
- InChI=1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3
- 1.8 InChIkey
- LIKMAJRDDDTEIG-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- CCCCC=C
- 1.10 Isomers Smiles
- CCCCC=C
2. Properties
- 2.1 Density
- 0.678
- 2.1 Melting point
- -140℃
- 2.1 Boiling point
- 62-65℃
- 2.1 Refractive index
- 1.3867-1.3887
- 2.1 Flash Point
- -26℃
- 2.2 Precise Quality
- 84.09390
- 2.2 PSA
- 0.00000
- 2.2 logP
- 2.36260
- 2.2 Solubility
- 0.005 g/100 mL
- 2.3 Viscosity
- 0.39 sq mm/s
- 2.4 VaporDensity
- 3.0 (Air= 1)
- 2.5 Appearance
- colourless liquid
- 2.6 Atmospheric OH Rate Constant
- 3.75e-11 cm3/molecule*sec
- 2.7 Storage
- Ambient temperatures.
- 2.8 Autoignition Temperature
- 521 °F (USCG, 1999)
- 2.9 Chemical Properties
- colourless liquid
- 2.10 Physical Properties
- Clear, colorless, flammable liquid with a characteristic, sweetish odor similar to hexane or 1-pentene.An odor threshold concentration of 140 ppbv was reported by Nagata and Takeuchi (1990).
- 2.11 Color/Form
- Colorless liquid
- 2.12 Decomposition
- When heated to decomposition it emits acrid smoke and fumes.
- 2.13 Odor
- Mild, pleasant.
- 2.14 Odor Threshold
- 0.14ppm
- 2.15 pKa
- >14 (Schwarzenbach et al., 1993)
- 2.16 Water Solubility
- 0.005 g/100 mL
- 2.17 Spectral Properties
- SADTLER REF NUMBER: 22438 (IR, PRISM)
MASS: 36 (National Bureau of Standards EPA-NIH Mass Spectra Data Base, NSRDS-NBS-63)
Index of refraction: 1.3837 at 20 deg C/D
- 2.18 Stability
- Stable. Highly flammable - note low flash point. Incompatible with strong oxidizing agents, strong acids, combustible material.
- 2.19 StorageTemp
- Refrigerator
3. Use and Manufacturing
- 3.1 Chemical Reactivity
- Reactivity with Water No reaction; Reactivity with Common Materials: No reactions; Stability During Transport: Stable; Neutralizing Agents for Acids and Caustics: Not pertinent; Polymerization: Not pertinent; Inhibitor of Polymerization: Not pertinent.
- 3.2 Definition
- ChEBI: An alkene that is hexane carrying a double bond at position 1.
- 3.3 Environmental Fate
- Biological. Biooxidation of 1-hexene may occur yielding 5-hexen-1-ol, which may oxidize togive 5-hexenoic acid (Dugan, 1972). Washed cell suspensions of bacteria belonging to the generaMycobacterium, Nocardia, Xanthobacter, and Pseudomonas and growing on selected alkenesmetabolized 1-hexene to 1,2-epoxyhexane (Van Ginkel et al., 1987).Photolytic. The following rate constants were reported for the reaction of 1-hexene and OHradicals in the atmosphere: 1.9 x 10-12 cm3/molecule?sec at 300 K (Hendry and Kenley, 1979); 3.75x 10-11 cm3/molecule?sec at 295 K (Atkinson and Carter, 1984); 3.18 x 10-11 cm3/molecule?sec(Atkinson, 1990). The following rate constants were reported for the reaction of 1-hexene andozone in the atmosphere: 1.10 x 10-17 cm3/molecule?sec (Bufalini and Altshuller, 1985); 9.0 x 10-17cm3/molecule?sec (Cadle and Schadt, 1952); 1.40 x 10-17 cm3/molecule?sec (Cox and Penkett,1972); 1.08 x 10-17 cm3/molecule?sec at 294 K (Adeniji et al., 1981).Chemical/Physical. Complete combustion in air yields carbon dioxide and water.1-Hexene is not expected to hydroxyze in water.
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- 3.4 Purification Methods
- Purify it by stirring over Na/K alloy for at least 6hours, then fractionally distil it from sodium under nitrogen. [Beilstein 1 IV 828.] 1-Hexene Preparation Products And Raw materials Preparation Products
- 3.5 Usage
- In linear alpha-olefin mixt for prodn of primary alcohols, comonomer for high density polyethylene.
4. Safety and Handling
- 4.1 Hazard Codes
- F; Xn; N
- 4.1 Risk Statements
- R11;R51/53;R65;R67
- 4.1 Safety Statements
- S16;S29;S33;S57;S62;S9
- 4.1 Packing Group
- II
- 4.1 Octanol/Water Partition Coefficient
- log Kow= 3.39
- 4.2 Other Preventative Measures
- SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
- 4.3 Hazard Class
- 3
- 4.3 DisposalMethods
- SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
- 4.4 DOT Emergency Guidelines
- /GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a "P" may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. Substances may be transported hot.
/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Health: Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering.
/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection.
/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Evacuation: Large spill: Consider initial downwind evacuation for at least 300 meters (1000 feet). Fire: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions.
/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Fire: Caution: All these products have a very low flash point: Use of water spray when fighting fire may be inefficient. CAUTION: For mixture containing a high percentage of an alcohol or polar solvent, alcohol-resistant foam may be more effective. Small fires: Dry chemical, CO2, water spray or regular foam. Large fires: Water spray, fog or regular foam. Use water spray or fog; do not use straight streams. Move containers from fire area if you can do it without risk. Fire involving tanks or car/trailer loads: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn.
/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ Spill or Leak: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean non-sparking tools to collect absorbed material. Large spills: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor; but may not prevent ignition in closed spaces.
/GUIDE 128: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. Wash skin with soap and water. Keep victim warm and quiet. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. - View all
- 4.5 RIDADR
- UN 2370
- 4.5 Fire Fighting Procedures
- To fight fire, use dry chemical, carbon dioxide, foam.
- 4.6 FirePotential
- A very dangerous fire and explosion hazard when exposed to heat, flame, or oxidizers.
- 4.7 Formulations/Preparations
- Grade: 95%, 99% research
- 4.8 WGK Germany
- 1
- 4.8 RTECS
- MP6670000
- 4.8 Protective Equipment and Clothing
- A low moderate irritant to the skin and eyes.
- 4.9 Reactivities and Incompatibilities
- ... CAN REACT VIGOROUSLY WITH OXIDIZING MATERIALS.
- 4.10 Skin, Eye, and Respiratory Irritations
- A low moderate irritant to the skin and eyes.
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Flammable liquids, Category 2
Aspiration hazard, Category 1
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |   |
| Signal word | Danger |
| Hazard statement(s) | H225 Highly flammable liquid and vapour H304 May be fatal if swallowed and enters airways |
| Precautionary statement(s) | |
| Prevention | P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P233 Keep container tightly closed. P240 Ground and bond container and receiving equipment. P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment. P242 Use non-sparking tools. P243 Take action to prevent static discharges. P280 Wear protective gloves/protective clothing/eye protection/face protection. |
| Response | P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P370+P378 In case of fire: Use ... to extinguish. P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026 P331 Do NOT induce vomiting. |
| Storage | P403+P235 Store in a well-ventilated place. Keep cool. P405 Store locked up. |
| Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
7. Synthesis Route
592-41-6Total: 259 Synthesis Route
9. Other Information
- 9.0 Usage
- 1-Hexene is used as a solvent, paint thinner and a medium for conducting chemical reactions. It is a commoner and used in the preparation of both low density and high density polyethylenes. It acts as an adhesives, lubricants, lubricant additives and sealant chemicals. Further, it is used in the preparation of hex-1-en-3-one, heptanal and heptanoic acid. It is also employed in the synthesis of linear plasticizers, oxo-alcohols, motor fuels, automotive additives and biodegradable surfactants. In addition to this, it is used in the preparation of mercaptans, flavors and fragrances, alkyl metals, halides and alkyl silanes.
10. Computational chemical data
- Molecular Weight: 84.15948g/mol
- Molecular Formula: C6H12
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 84.093900383
- Monoisotopic Mass: 84.093900383
- Complexity: 29
- Rotatable Bond Count: 3
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Topological Polar Surface Area: 0
- Heavy Atom Count: 6
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAACAACBCAAAAAAAgAAAIAAAAAAgAAAIAAQAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
11. Question & Answer
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1-Hexene is a type of product in the olefin industry, which is co-polymerized with ethylene to produce polyethylene. This type of product is called ethylene-hexene copolymer polyethylene. Currently, t..
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Introduction 1-Hexene, a colorless liquid with the chemical formula C6H12, is widely used in the production of spices, dyes, and synthetic resins. It is insoluble in water but soluble in various organ..
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Bromine should react with any hexene without any catalysis. H2C=CHCH2CH2CH2CH3 +Br2 → BrHC-CHBrCH2CH2CH2CH3 The Br2 “adds across the double bond.” Light catalysis is needed for a bromine atom to su..
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I think you need to work on the nomenclature protocols… is … is … is …and it has TWO isomeric forms…which are…? And clearly there are other structural, and geometric isomers… Over to you….
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