CAS 1423-60-5 Butyn-2-one (HCID 15018)

概要

Butyn-2-one is a methyl ketone and a terminal acetylenic compound. It is functionally related to a butan-2-one.

名称と識別子

優先名称: Butyn-2-one
IUPAC: but-3-yn-2-one
現地名: 3-ブチン-2-オン
英語名: 3-Butyn-2-one
分子式: C4H4O
分子量: 68.07

名称と別名

3-BUTYN-2-ONE1423-60-5But-3-yn-2-oneAcetylacetyleneMethyl ethynyl ketonebutyn-2-oneEthynyl methyl ketoneAcetylethyneEINECS 215-834-2AI3-37793DTXSID3074521CHEBI:48060

名称をさらに表示

3-ブチン-2-オン1-ブチン-3-オンメチルエチニルケトンエチニルメチルケトン3-ブチンー2-オン3‐ブチン‐2‐オン3-ブチン-2-オン, 98+%ブト-3-イン-2-オン1-エチニルアセトアルデヒドブタ-3-イン-2-オンBROX-002CH3COCequivCH

RefChem:571881DTXCID1034630215-834-21-Butyn-3-one1-butyne-3-one3-Butyne-2-oneMFCD000087753-Butyn-2-one (6CI,7CI,8CI,9CI)

データベース識別子

CAS: 1423-60-5
PubChem CID: 15018
DTXSID: DTXSID3074521
ChEBI: CHEBI:48060
UNII: ST682FTU47
EC Number: 215-834-2
Nikkaji: J55.495B

物性

構造計算による物性

XLogP: 0.4
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 5
形式電荷: 0
複雑度: 83.1

実験および物理化学的性質

SpringerMaterials PropertiesHindering potential

物理化学的性質

沸点: 85 °C · 85 °C(lit.)
比重(密度): 0.87 g/mL · 0.87 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.406(lit.)
闪点: 28 °F · 28 °F
貯蔵温度: 0 · 0-6°C
外見: 液体
比重: 0.87 · 0.870
色: クリアイエローからオレンジブラウン
水溶解度: 水に溶けます。
BRN: 605353 · 605353
InChI: 1S/C4H4O/c1-3-4(2)5/h1H,2H3
InChIKey: XRGPFNGLRSIPSA-UHFFFAOYSA-N
SMILES: CC(=O)C#C
CAS データベース: 1423 · 1423-60-5(CAS DataBase Reference)
NISTの化学物質情報: 3 · 3-Butyn-2-one(1423-60-5)
EPAの化学物質情報: 3 · 3-Butyn-2-one (1423-60-5)

化学的性質 · 1 件

化学的特性3-Butyn-2-one is a clear, colorless liquid that is chemically reactive. It has a boiling point of 85.0°C. The autoignition temperature for 3-butyn-2-one is 274°C. 3-Butyn-2-one has a penetrating odor and is a lacrimator. 3-Butyn-2-one has a penetrating odor and is a lacrimator.

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (96%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, 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 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 2 (96%)

安全データ

F: 19
wgk: 3
rtecs: ES0875000
ridadr: UN 1992 3/PG 2
hs_code: 29141900
risk_code: 28-36/37/38-11-15-10
消防法: 危-4-1-II
hazard_code: F,T+,T,Xi,E,Xn
hazard_note: Highly Flammable/Highly Toxic
safety_code: 45-36/37/39-28A-26-16-43-7/8-7/9-24/25
hazard_class: 3
packing_group: II
Hazard Classifications: Acute Tox. 2 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 2 件

使用3-Butyn-2-one was used in the synthesis of clerodane diterpenoid (+/-)-sacacarin. It was used as substrate in stereoselective, conjugate arylation mediated by gallium(III) chloride leading to (E)-α,β-unsaturated ketones.

一般的な説明3-Butyn-2-one undergoes asymmetric double-Michael reaction with ortho-tosylamidophenyl malonate catalyzed by chiral aminophosphines to yield indolines. It undergoes double Michael reaction with nitrogen-containing tethered diacid to give pipecolic acid derivatives.