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Supelco

1-Octene

analytical standard

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About This Item

Linear Formula:
CH3(CH2)5CH=CH2
CAS Number:
111-66-0
Molecular Weight:
112.21
Beilstein:
1734497
EC Number:
203-893-7
MDL number:
MFCD00009548
UNSPSC Code:
41116107
PubChem Substance ID:
329765954
NACRES:
NA.24

grade

analytical standard

Quality Level

100

vapor density

3.9 (vs air)

vapor pressure

36 mmHg ( 38 °C)

Assay

≥99.5% (GC)

autoignition temp.

446 °F

shelf life

limited shelf life, expiry date on the label

expl. lim.

3.9 %

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.408 (lit.)
n20/D 1.408
n20/D 1.409 (lit.)

bp

122-123 °C (lit.)

mp

−101 °C (lit.)

density

0.715 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care
petroleum

format

neat

SMILES string

CCCCCCC=C

InChI

1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3

InChI key

KWKAKUADMBZCLK-UHFFFAOYSA-N

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General description

1-Octene is a linear α-olefin and an important comonomer in the production of linear low-density polyethylene (LLDPE).
This substance is listed on the positive list of the EU regulation 10/2011 for plastics intended to come into contact with food. Find all available reference materials for compounds listed in 10/2011 here

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Signal Word

Danger

Hazard Statements

H225,H304,H410

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2

Supplementary Hazards

EUH066

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCD0226
BCBW1887
BCBP7063V
BCBK7543V
BCBF3711V

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Ethylene tetramerization: a new route to produce 1-octene in exceptionally high selectivities
Bollmann A, et al.
Journal of the American Chemical Society, 126(45), 14712-14713 (2004)
Cristina Nerín et al.
Journal of agricultural and food chemistry, 50(25), 7488-7492 (2002-11-28)
The behavior of two synthetic adsorbents, Tenax and Porapak, as food simulants in contact with some plastic containers commercially available, recommended to be used for heating food in microwave ovens, has been studied. Containers of polycarbonate (PC), polypropylene (PP), polypropylene
A Hempel-Jørgensen et al.
Archives of environmental health, 54(2), 86-94 (1999-03-27)
In this study, we investigated the time course effect of sensory eye irritation in 16 subjects exposed (i.e., eye only) to n-butanol and 1-octene. Half the subjects were exposed to n-butanol, and the remaining subjects were exposed to 1-octene. Each
Dennis Shusterman et al.
Inhalation toxicology, 18(7), 457-471 (2006-04-11)
Irritation of the eyes, nose, and throat by airborne chemicals--also referred to as "sensory irritation"--is an important endpoint in both occupational and environmental toxicology. Modeling of human sensory irritation relies on knowledge of the physical chemistry of the compound(s) involved
Frans T I Marx et al.
Journal of molecular modeling, 15(11), 1371-1381 (2009-06-02)
The productive self-metathesis reaction of 1-octene in the presence of the Phobcat precatalyst [RuCl(2)(Phoban-Cy)(2)(=CHPh)] using density functional theory was investigated and compared to the Grubbs 1 precatalyst [RuCl(2)(PCy(3))(2)(=CHPh)]. At the GGA-PW91/DNP level, the geometry optimization of all the participating species
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