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W429300

Sigma-Aldrich

1-Octene

98%

Synonym(s):

1-caprylene, Hexylethylene, Oct-1-ene, 1-octylene

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About This Item

Linear Formula:
CH3(CH2)5CH=CH2
CAS Number:
111-66-0
Molecular Weight:
112.21
FEMA Number:
4293
Beilstein/REAXYS Number:
1734497
EC Number:
203-893-7
MDL number:
MFCD00009548
UNSPSC Code:
12164502
PubChem Substance ID:
329830694
Flavis number:
1.070
NACRES:
NA.21

biological source

synthetic

vapor density

3.9 (vs air)

vapor pressure

36 mmHg ( 38 °C)

assay

98%

form

liquid

autoignition temp.

446 °F

expl. lim.

3.9 %

refractive index

n20/D 1.408 (lit.)
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)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

camphoraceous

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 an unsaturated compound that is not directly used as a food additive but may be used as an indirect food additive in the production of food contact materials such as packaging, containers, and other materials that encounter food during processing, packaging, transportation, and storage .

Disclaimer

For R&D or non-EU Food use. Not for retail sale.

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_germany

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Polymer Testing, 32(2), 279-290 (2013)
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
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
J C Quada et al.
Bioorganic & medicinal chemistry, 9(9), 2303-2314 (2001-09-13)
The syntheses of several novel halogenated bithiazoles structurally related to the bithiazole moiety of bleomycin A(5) are described. Also described is the ability of these compounds to mediate photoactivated DNA cleavage. Chlorinated bithiazole analogues were shown to be much more
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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