4-オクチン

4-Octyne

HCID 16029CAS 1942-45-6
部分構造検索類似構造を探す

基本情報

標準SMILES
CCCC#CCCC
InChIKey
GZTNBKQTTZSQNS-UHFFFAOYSA-N
分子式
C8H14
平均分子量
110.2 g/mol
単同位体質量
110.10955045

名称と識別子

優先名称
4-Octyne
IUPAC
oct-4-yne
現地名
4-オクチン
英語名
4-Octyne
分子式
C8H14
分子量
110.2

名称と別名

4-OCTYNEOct-4-yneDipropylacetylene1,2-DipropylacetyleneIJI0Q2V1Z6EINECS 217-730-2UNII-IJI0Q2V1Z6n-C3H7C.$.CC3H7DTXSID6074338RefChem:100251DTXCID2036085GZTNBKQTTZSQNS-UHFFFAOYSA-N
名称をさらに表示
4-オクチンジプロピルアセチレン1,2-ジプロピルアセチレンオクタン-4-イン4‐オクチンオクト-4-インオクタ-4-イン1,1′-エチニレンビスプロパン4-Octin4-0ctyene4-Octyne>4-Actylenes4-OCTYNE 99%Octane-4-yne4-Octyne, 98+%Dipropylethyne
InChI=1/C8H14/c1-3-5-7-8-6-4-2/h3-6H2,1-2H1942-45-6MFCD000094714-Octyne, 99%3-dithylacetyleneSCHEMBL55369SCHEMBL293130SCHEMBL2120750

データベース識別子

CAS
1942-45-6
PubChem CID
16029
DTXSID
DTXSID6074338
UNII
IJI0Q2V1Z6
EC Number
217-730-2
Nikkaji
J124.819G

物性

構造計算による物性

XLogP
3.4
極性表面積
0 Ų
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
8

実験および物理化学的性質

Kovats Retention Index · 3 件

841；839

812.5；812.51；812.59；809.9；810.6；811；813.6；809；810；810；811；811；813

1000；998；999；1011.6

物理化学的性質

融点
-103 °C · -103 °C
沸点
131 · 131-132 °C(lit.)
比重(密度)
0.751 g/mL · 0.751 g/mL at 25 °C(lit.)
蒸気圧
35 mm · 35 mm Hg ( 37.7 °C)
屈折率
20 · n20/D 1.425(lit.)
闪点
85 °F · 85 °F

化学的性質

化学的特性CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H226 (92.6%): Flammable liquid and vapor [Warning Flammable liquids]；H304 (98.1%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]；H315 (87%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (88.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (88.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 2 件

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

4-Octyne: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (92.6%)；Asp. Tox. 1 (98.1%)；Skin Irrit. 2 (87%)；Eye Irrit. 2 (88.9%)；STOT SE 3 (88.9%)

法規制情報

Regulatory Information · 2 件

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

4-Octyne: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F
10-23
wgk
3
tsca
TSCA listed
ridadr
UN 3295 3/PG 3
hs_code
29012990
risk_code
10-36/37/38-65

化学と産業

用途と製造

General Manufacturing Information4-Octyne: ACTIVE

応用分野

使用4-Octyne is a useful compound in organic synthesis.

一般的な説明The kinetics of the stereoselective semi-hydrogenation of 4-octyne (in tetrahydrofuran) was studied.

上流・下流製品情報

サプライヤー36 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

関連反応

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