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320323

Sigma-Aldrich

1-Hexene

97%

Synonym(s):

1-n-Hexene

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About This Item

Linear Formula:
CH3(CH2)3CH=CH2
CAS Number:
592-41-6
Molecular Weight:
84.16
Beilstein:
1209240
EC Number:
209-753-1
MDL number:
MFCD00009505
UNSPSC Code:
12352100
PubChem Substance ID:
329753972
NACRES:
NA.22
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vapor density

3 (vs air)

Quality Level

100

vapor pressure

155 mmHg ( 21.1 °C)

Assay

97%

form

liquid

autoignition temp.

487 °F

refractive index

n20/D 1.388 (lit.)

bp

60-66 °C (lit.)

density

0.678 g/mL at 25 °C (lit.)

functional group

allyl

SMILES string

CCCCC=C

InChI

1S/C6H12/c1-3-5-6-4-2/h3H,1,4-6H2,2H3

InChI key

LIKMAJRDDDTEIG-UHFFFAOYSA-N

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Application

1-Hexene can be used:
  • As a substrate for polymerization by various catalysts.[1][2]
  • To prepare good quality middle distillates and lubricating oils by oligomerization.[3]
  • In the synthesis of aldehydes using supercritical CO2 and rhodium catalyst by hydroformylation reaction.[4]

Pictograms

FlameHealth hazard
GHS02,GHS08

Signal Word

Danger

Hazard Statements

H225,H304

Hazard Classifications

Asp. Tox. 1 - Flam. Liq. 2

Supplementary Hazards

EUH066

Storage Class Code

3 - Flammable liquids

WGK

WGK 2

Flash Point(F)

-13.0 °F - closed cup

Flash Point(C)

-25.0 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
STBL3331
STBL2082
STBL0760
MKCT3362
STBK9248

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Oligomerization of 1-hexene and 1-octene over solid acid catalysts.
de Klerk A.
Industrial & Engineering Chemistry Research, 44(11), 3887-3893 (2005)
Hydroformylation of 1-hexene in supercritical carbon dioxide using a heterogeneous rhodium catalyst. 3. Evaluation of solvent effects.
Hemminger O, et al.
Green Chemistry, 4(5), 507-512 (2002)
Isospecific living polymerization of 1-hexene by a readily available nonmetallocene C 2-symmetrical zirconium catalyst.
Tshuva, Edit Y et al.
Journal of the American Chemical Society, 122(43), 10706-10707 (2000)
Stereospecific living Ziegler- Natta polymerization of 1-hexene.
Jayaratne, Kumudini C and Sita, Lawrence R
Journal of the American Chemical Society, 122(5), 958-959 (2000)
Chia-Hsiu Chen et al.
Journal of the American Chemical Society, 137(21), 6965-6971 (2015-05-12)
The stereochemistry, kinetics, and mechanism of olefin polymerization catalyzed by a set of zirconium-based metallocenes was studied by NMR using dissolution dynamic nuclear polarization (DNP). Hyperpolarized 1-hexene was polymerized in situ with a C2 symmetric catalyst, [(EBI)ZrMe][B(C6F5)4] (EBI = rac-(C2H4(1-indenyl)2))
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