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592-41-6

592-41-6 Structure

592-41-6 Structure
IdentificationMore
[Name]

1-Hexene
[CAS]

592-41-6
[Synonyms]

1-HEXENE
Butylethene
BUTYLETHYLENE
HEX-1-ENE
l-Hexene
1-C6H12
1-n-Hexene
dialene6
Hexen
Hexene
Hexene-1
Hexylene
Neodene 6
1-HEXENE, 97% (POLY-COATED BOTTLES)
1-HEXENE 99+%
1-HEXENE, STANDARD FOR GC
1-Hexene,98+%
1-Hexen
1-Hexene [Standard Material]
N-HEXENE
[EINECS(EC#)]

209-753-1
[Molecular Formula]

C6H12
[MDL Number]

MFCD00009505
[Molecular Weight]

84.16
[MOL File]

592-41-6.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[Melting point ]

-140 °C
[mp ]

-140 °C
[Boiling point ]

60-66 °C (lit.)
[bp ]

60-66 °C(lit.)
[density ]

0.678 g/mL at 25 °C(lit.)
[vapor density ]

3 (vs air)
[vapor pressure ]

155 mm Hg ( 21.1 °C)
[refractive index ]

n20/D 1.388(lit.)
[Fp ]

−19 °F
[storage temp. ]

Refrigerator
[solubility ]

Soluble in alcohol, benzene, chloroform, ether, petroleum (Weast, 1986), and many other hydrocarbons including alkenes amd alkanes.
[form ]

Liquid
[pka]

>14 (Schwarzenbach et al., 1993)
[Specific Gravity]

0.673
[color ]

Clear colorless
[Odor]

Mild, pleasant.
[Stability:]

Stable. Highly flammable-note low flash point. Incompatible with strong oxidizing agents, strong acids, combustible material.
[Odor Threshold]

0.14ppm
[Water Solubility ]

0.005 g/100 mL
[BRN ]

1209240
[Henry's Law Constant]

(atm?m3/mol): 0.435 at 25 °C (Hine and Mookerjee, 1975)
[Exposure limits]

ACGIH TLV: TWA 30 ppm (adopted).
[InChIKey]

LIKMAJRDDDTEIG-UHFFFAOYSA-N
[CAS DataBase Reference]

592-41-6(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Hexene(592-41-6)
[EPA Substance Registry System]

592-41-6(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

F,Xn,N
[Risk Statements ]

R11:Highly Flammable.
R65:Harmful: May cause lung damage if swallowed.
R67:Vapors may cause drowsiness and dizziness.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S29:Do not empty into drains .
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label .
S57:Use appropriate container to avoid environmental contamination .
S33:Take precautionary measures against static discharges .
[RIDADR ]

UN 2370 3/PG 2
[WGK Germany ]

1
[RTECS ]

MP6670000
[Autoignition Temperature]

487 °F
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29012980
[Hazardous Substances Data]

592-41-6(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
【Raw materials】

Barium sulfate-->Barium hydroxide-->1,5-HEXADIENE-->5-HEXEN-1-OL
【Preparation Products】

Permethrin-->METHYL 3-(2,2-DICHLOROVINYL)-2,2-DIMETHYL-(1-CYCLOPROPANE)CARBOXYLATE-->Sorbic acid-->Cyfluthrin-->ethyl 3-(2,2-dichlorovinyl)-2,2-dimethyl-1-cyclopropanecarboxylate-->Heptanoic acid-->beta-Carotene-->2,2-DIMETHYL-3-(2-METHYLPROP-1-ENYL)CYCLOPROPANECARBOXYLIC ACID-->1,2-EPOXYHEXANE-->3-[2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethyl cyclopropane carboxylic acid-->CINITAPRIDE HYDROGEN TARTRATE-->ethyl 4,6,6-trichloro-3,3-dimethyl-hex-5-enoate-->4-HEXEN-3-ONE-->TRANS,CIS-2,6-NONADIEN-1-OL-->2-hexanethiol-->CIS-2-HEXENE
Hazard InformationBack Directory
[General Description]

A clear colorless liquid with a petroleum like odor. Flash point-9°F. Less dense than water and insoluble in water. Vapors heavier than air. Used as a solvent, paint thinner, and chemical reaction medium.
[Reactivity Profile]

1--HEXENE may react vigorously with strong oxidizing agents. May react exothermically with reducing agents to release hydrogen gas.
[Air & Water Reactions]

Highly flammable. Insoluble in water.
[Hazard]

Irritant. Highly flammable, dangerous fire risk.
[Health Hazard]

Inhalation may cause giddiness or incoordination similar to that from gasoline vapor. Prolonged exposure to high concentrations may induce loss of consciousness or death.
[Chemical Properties]

colourless liquid
[Chemical Properties]

1-Hexene, C6H12, is a colorless liquid, which is highly volatile and flammable. Hexene is a component of refinery gas and coffee aroma.
[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).
[Uses]

[Definition]

ChEBI: An alkene that is hexane carrying a double bond at position 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.
[Source]

California Phase II reformulated gasoline contained 1-hexene at a concentration of 770 mg/kg. Gas-phase tailpipe emission rates from gasoline-powered automobiles with and without catalytic converters were 430 and 18,400 μg/km, respectively (Schauer et al., 2002).
According to Chevron Phillips Company’s (2005) product literature, the maximum concentration present in 99.7% tert-butyl mercaptan is 0.05 wt %.
[Environmental Fate]

Biological. Biooxidation of 1-hexene may occur yielding 5-hexen-1-ol, which may oxidize to give 5-hexenoic acid (Dugan, 1972). Washed cell suspensions of bacteria belonging to the genera Mycobacterium, Nocardia, Xanthobacter, and Pseudomonas and growing on selected alkenes metabolized 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 OH radicals in the atmosphere: 1.9 x 10-12 cm3/molecule?sec at 300 K (Hendry and Kenley, 1979); 3.75 x 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 and ozone in the atmosphere: 1.10 x 10-17 cm3/molecule?sec (Bufalini and Altshuller, 1985); 9.0 x 10-17 cm3/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.
[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.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Hexene(592-41-6).msds
Spectrum DetailBack Directory
[Spectrum Detail]

1-Hexene(592-41-6) MS
1-Hexene(592-41-6) 13C NMR
1-Hexene(592-41-6) Raman
1-Hexene(592-41-6) 1H NMR
1-Hexene(592-41-6) IR1
1-Hexene(592-41-6) IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Hexene, 97%(592-41-6)
[Alfa Aesar]

1-Hexene, 98%(592-41-6)
[Sigma Aldrich]

592-41-6(sigmaaldrich)
[TCI AMERICA]

1-Hexene,>95.0%(GC)(592-41-6)
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