4-メチル-1-ペンチン

4-Methyl-1-pentyne

HCID 138948

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 7154-75-8
標準SMILES: C#CCC(C)C
InChIKey: OXRWICUICBZVAE-UHFFFAOYSA-N
分子式: C6H10
平均分子量: 82.14 g/mol
単同位体質量: 82.07825032

名称と識別子

優先名称: 4-Methyl-1-pentyne
IUPAC: 4-methylpent-1-yne
現地名: 4-メチル-1-ペンチン
英語名: 4-Methyl-1-pentyne
分子式: C6H10
分子量: 82.14

名称と別名

4-Methyl-1-pentyne7154-75-8Isobutylacetylene1-Pentyne, 4-methyl-Isobutylethyne9X7KAS72KSNSC-739052-METHYL-4-PENTYNEDTXSID00221778NSC 73905RefChem:524945DTXCID30144269

名称をさらに表示

4-メチル-1-ペンチンイソブチルアセチレン4,4-ジメチル-1-ブチン4-メチルペンタ-1-インCH≡CCH2CH(CH3)24-methylpentyne(CH3)2CHCH2CequivCH4,4-Dimethyl-1-butyne4-Methyl-1-pentyne>

627-544-74-methylpent-1-yne4-methyl-pent-1-yneNSC73905MFCD00039857Isobutyl acetylene4-Methyl-1-pentyne, 98%4-methylpentine

データベース識別子

CAS: 7154-75-8
PubChem CID: 138948
DTXSID: DTXSID00221778
UNII: 9X7KAS72KS
EC Number: 627-544-7
Nikkaji: J102.101J

物性

構造計算による物性

XLogP: 2.1
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: 1
重原子数: 6
形式電荷: 0
複雑度: 61

実験および物理化学的性質

Kovats Retention Index550；552；552；553；553

物理化学的性質

融点: -104.6 °C · -104.6°C
沸点: 61 · 61-62 °C (lit.)
比重(密度): 0.698 g/mL · 0.698 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.393(lit.)
闪点: 24 °F · 24 °F
貯蔵温度: Refrigerator
外見: clear liquid
色: Colorless to Almost colorless
水溶解度: 水に不溶。低極性の一般的な有機溶剤に可溶。
BRN: 1731077 · 1731077
Henry's Law Constant: 4.5 · 4.5×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
InChI: 1S/C6H10/c1-4-5-6(2)3/h1,6H,5H2,2-3H3
InChIKey: OXRWICUICBZVAE-UHFFFAOYSA-N
SMILES: CC(C)CC#C

化学的性質

化学的特性clear yellow liquid

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H304 (25.9%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

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

Aggregated GHS information provided per 54 reports by companies from 5 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

Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Asp. Tox. 1 (25.9%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG 1
hs_code: 29012990
risk_code: 11
消防法: 危-4-1-II
hazard_code: F
safety_code: 16-33
hazard_class: 3
packing_group: II
Hazard Classifications: Flam. Liq. 2
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 1 件

使用4-Methyl-1-pentyne, is used as a polymer matrix together with synthesized NH2-MIL 53 metal organic framework (MOF) as a filler were used to fabricate a mixed matrix membrane (MMM). It is also used in addition reactions which are typical in alkyne reactions such as halogenation, hydrogenation, hydrohalogenation, hydration, oxidative cleavage, nitrile formation and acidity of terminal alkynes. Polymerisation and substitution reactions are also useful in chemical synthesis.