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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
form:
liquid
Assay:
97%

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.
  • To prepare good quality middle distillates and lubricating oils by oligomerization.
  • In the synthesis of aldehydes using supercritical CO2 and rhodium catalyst by hydroformylation reaction.

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PRTR

Class I Designated Chemical Substances

FSL

Group 4: Flammable liquids
Type 1 petroleums
Hazardous rank II
Water insoluble liquid

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

320323S-18L-RC:
320323-VAR:
320323-BULK:
320323-1L:4548173964751

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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)
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)
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)
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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