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Merck
CN

74900

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
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329765954
EC Number:
203-893-7
Beilstein/REAXYS Number:
1734497
MDL number:
MFCD00009548

Key Documents

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Product Name

1-Octene, analytical standard

InChI key

KWKAKUADMBZCLK-UHFFFAOYSA-N

InChI

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

SMILES string

CCCCCCC=C

grade

analytical standard

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

Quality Level

100

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Application

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

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

signalword

Danger

Hazard Classifications

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

supp_hazards

EUH066

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

50.0 °F - closed cup

flash_point_c

10 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCP0448
BCCJ8583
BCCJ0723
BCCD0226
BCBW1887

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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)
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
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
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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