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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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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

Quality Level

100

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

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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.

signalword

Danger

Hazard Classifications

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

supp_hazards

EUH066

Storage Class

3 - Flammable liquids

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)
I N White et al.
Biochemical pharmacology, 35(9), 1569-1575 (1986-05-01)
The enzymic activation of a model olefin oct-1-ene was studied in rat liver microsomal systems in vitro. An active metabolite was trapped using N-acetylcysteine and identified by means of capillary GLC/mass spectrometry and 360 MHz 1H NMR as S-3-oxo-octyl-N-acetylcysteine. A
Sara M Aschmann et al.
Environmental science & technology, 44(10), 3825-3831 (2010-04-28)
Products of the gas-phase reactions of OH radicals with 1-octene and 7-tetradecene have been investigated at 296 +/- 2 K and atmospheric pressure of air, using gas chromatography, direct air sampling atmospheric pressure ionization tandem mass spectrometry, and in situ
Mark Kuil et al.
Journal of the American Chemical Society, 128(35), 11344-11345 (2006-08-31)
We report the formation of high-precision catalysts using encapsulated rhodium complexes. In the current example, the encapsulated rhodium catalyst shows unprecedented high selectivity in the rhodium-catalyzed hydroformylation of internal alkenes, forming predominantly one of the branched aldehydes. This catalyst system
F P Guengerich
Biochemical and biophysical research communications, 138(1), 193-198 (1986-07-16)
The heme in rat liver microsomal cytochrome P-450 was labeled with 14C or 3H and the microsomes were fractionated after in vitro incubations with a variety of agents known to destroy cytochrome P-450 heme. A major fraction of the heme
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