CAS 7642-09-3 cis-3-Hexene (HCID 643783)

概要

Cis-3-hexene is a 3-hexene in which the double bond adopts a cis-configuration.

名称と識別子

優先名称: cis-3-Hexene
IUPAC: (Z)-hex-3-ene
現地名: cis-3-ヘキセン
英語名: cis-3-hexene
分子式: C6H12
分子量: 84.16

名称と別名

cis-3-Hexene7642-09-3(Z)-3-Hexene(Z)-hex-3-ene(3Z)-3-Hexene3-Hexene, (Z)-(3Z)-hex-3-ene3-hexene, (3Z)-MFCD0008530050181BZ6YTNSC-74124cis-hex-3-ene

名称をさらに表示

cis-3-ヘキセン(Z)-3-ヘキセン(3Z)-3-ヘキセンcis-3-ヘキセン, 97%(3Z)-ヘキサ-3-エン(Z)-3-C6H123-hexene,(Z)-cis-3-Hexene>3-Hexene, (3Z)-cis-3-hexene93+%

(3Z)-3-Hexene #3-HEXENE (CIS)3-HEXENE, CIS-SCHEMBL28935SCHEMBL120668SCHEMBL121614UNII-50181BZ6YTcis-3-Hexene, >=95.0%

データベース識別子

CAS: 7642-09-3
PubChem CID: 643783
DTXSID: DTXSID30891266
ChEBI: CHEBI:176792
UNII: 50181BZ6YT
EC Number: 627-162-0
Nikkaji: J43.521J

物性

構造計算による物性

XLogP: 2.5
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 2
重原子数: 6
形式電荷: 0
複雑度: 29.3

実験および物理化学的性質

Chemical ClassesOther Classes -> Aliphatics, Unsaturated

SpringerMaterials PropertiesSchoenflies notation

Physical DescriptionLight yellow liquid; [Sigma-Aldrich MSDS]

物理化学的性質

融点: -137.82 °C · -137.82°C
沸点: 67 °C · 67 °C
比重(密度): 0.677 · 0.677
屈折率: 1.3935 · 1.3935-1.3955
闪点: -12 °C · -12 °C
外見: clear liquid
色: Colorless to Almost colorless
比重: 0.677 · 0.677
BRN: 1718858 · 1718858
Henry's Law Constant: 2.6 · 2.6×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
Dielectric constant: 2.1 · 2.1(24℃)
InChI: 1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5-
InChIKey: ZQDPJFUHLCOCRG-WAYWQWQTSA-N
SMILES: CC\C=C/CC
LogP: 3.42 · 3.420 (est)
EPAの化学物質情報: 3 · 3-Hexene, (3Z)- (7642-09-3)

化学的性質

化学的特性clear colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P264+P265, P280, P301+P316, P303+P361+P353, P305+P351+P338, P331, P337+P317, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 67 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazards SummaryAn irritant that may cause severe eye irritation; An aspiration hazard by ingestion (may cause lung damage); [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

安全データ

wgk: 3
ridadr: 3295
hs_code: 29012990
risk_code: 65-11-36
化審法: (2)-31
消防法: 危-4-1-II
hazard_code: Xn-F,Xn,F
safety_code: 62-16-26
hazard_class: 3
packing_group: II
Hazard Classifications: Asp. Tox. 1Eye Irrit. 2Flam. Liq. 2
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 3 件

用途有機合成原料。

使用cis-3-Hexene is used as an organic chemical synthesis intermediate.

一般的な説明cis-3-Hexene is a symmetrical cis-disubstituted alkene that can be prepared by the hydroboration of 3-hexyne followed by protonolysis. The gas-phase study of its molecular structure by electron diffraction combined with molecular mechanical calculations reveals the presence of the (+ac, +ac) and the (-ac, +ac) forms. cis-3-Hexene undergoes epoxidation with dimethyldioxirane to form the corresponding epoxide.

上流・下流製品情報

上流原料

Phosphorane, triphenylpropylidene-trans-3-ヘキセン cis-2-ヘキセン

下流製品

3-メチル酪酸3-ヘキセニル cis-3-Hexenai (Z)-3-ヘキセン-1-オールブチラート 3-ヘキサノール 3-ヘプテン (cis-, trans-混合物)2-エチル-1-ブテン

サプライヤー34 社

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Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

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上海仲因实业有限公司2537653158 16621191650 · [email protected]

補足説明 · 1 件

定義ChEBI: Cis-3-hexene is a 3-hexene in which the double bond adopts a cis-configuration. In this compound, there are two hydrogen atoms on one side and two ethyl groups on the other side of the double bond. The structures of cis-3-hexene and trans-3-hexene in gas phase were determined using electron diffraction and molecular mechanical calculations.

化合物ノート

読み込み中…

cis-3-ヘキセン

基本情報

概要