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Key Documents

W429300

Sigma-Aldrich

1-辛烯

98%

同義詞:

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

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About This Item

線性公式:
CH3(CH2)5CH=CH2
CAS號碼:
分子量::
112.21
FEMA號碼:
4293
Beilstein:
1734497
EC號碼:
MDL號碼:
分類程式碼代碼:
12164502
PubChem物質ID:
Flavis號碼:
1.070
NACRES:
NA.21

生物源

synthetic

品質等級

蒸汽密度

3.9 (vs air)

蒸汽壓力

36 mmHg ( 38 °C)

化驗

98%

形狀

liquid

自燃溫度

446 °F

expl. lim.

3.9 %

折射率

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

bp

122-123 °C (lit.)

mp

−101 °C (lit.)

密度

0.715 g/mL at 25 °C (lit.)

應用

flavors and fragrances

文件

see Safety & Documentation for available documents

食物過敏原

no known allergens

感官的

camphoraceous

SMILES 字串

CCCCCCC=C

InChI

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

InChI 密鑰

KWKAKUADMBZCLK-UHFFFAOYSA-N

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一般說明

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 .

免責聲明

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

訊號詞

Danger

危險聲明

危險分類

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

安全危害

儲存類別代碼

3 - Flammable liquids

水污染物質分類(WGK)

WGK 3

閃點(°F)

50.0 °F - closed cup

閃點(°C)

10 °C - closed cup

個人防護裝備

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


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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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