3-ブチン-1-オール

3-Butyn-1-OL

HCID 13566CAS 927-74-2
部分構造検索類似構造を探す

基本情報

標準SMILES
C#CCCO
InChIKey
OTJZCIYGRUNXTP-UHFFFAOYSA-N
分子式
C4H6O
平均分子量
70.09 g/mol
単同位体質量
70.04186481

概要

But-3-yn-1-ol is a terminal acetylenic compound that is but-1-yne with one of the methyl hydrogens substituted by a hydroxy group. It is a member of butyn-1-ols and a terminal acetylenic compound.

名称と識別子

優先名称
3-Butyn-1-OL
IUPAC
but-3-yn-1-ol
現地名
3-ブチン-1-オール
英語名
3-Butyn-1-ol
分子式
C4H6O
分子量
70.09

名称と別名

3-BUTYN-1-OL927-74-2But-3-yn-1-ol3-Butynol3-Butynyl alcohol1-Butyn-4-ol4-Hydroxy-1-butyneNSC-9708DTXSID1022136P74L430293CHEBI:27444RefChem:93308
名称をさらに表示
3-ブチン-1-オール3-ブチニルアルコール1-ブチン-4-オールホモプロパルギルアルコール3-ブチン-1-オル3ブチン1オ-ル(2-ヒドロキシエチル)アセチレン3‐ブチン‐1‐オールブト-3-イン-1-オールブタ-3-イン-1-オール3-Bytyn-1-olButyn-1-ol3-butyn-1-0l
DTXCID702136213-161-93-Butyne-1-ol2-Hydroxyethylacetylenehomopropargyl alcohol(2-Hydroxyethyl)acetyleneMFCD000029554-hydroxy-butyne

データベース識別子

CAS
927-74-2
PubChem CID
13566
DTXSID
DTXSID1022136
ChEBI
CHEBI:27444
UNII
P74L430293
EC Number
213-161-9
Nikkaji
J1.744B

物性

構造計算による物性

XLogP
0.1
極性表面積
20.2 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
1
重原子数
5

実験および物理化学的性質

PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesSchoenflies notation
Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

物理化学的性質

融点
-63.6 °C · -63.6 °C (lit.)
沸点
128.9 °C · 128.9 °C (lit.)
比重(密度)
0.926 g/mL · 0.926 g/mL at 25 °C (lit.)
屈折率
20 · n20/D 1.441(lit.)
闪点
97 °F · 97 °F
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature

化学的性質

化学的特性colourless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 106 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

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

Status: Active Update: 24-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17378

3-Butyn-1-ol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards SummaryIntravenous LD50 (mouse) = 100 mg/kg; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

安全データ

wgk
3
tsca
TSCA listed
rtecs
ES0710000
ridadr
UN 1986 3/PG 3
hs_code
29052990
risk_code
10-36/37/38

化学と産業

用途と製造

General Manufacturing Information3-Butyn-1-ol: ACTIVE
応用分野 · 4 件

用途医薬中間体。

用途有機合成原料。

使用(3-Butyn-1-ol) Alkynyl substrate used in a study of a palladium-catalyzed coupling with β-tetrionic acid bromide leading to alkynyl substituted furanones in good yield.1

一般的な説明The enthalpies of combustion and vaporization of 3-butyn-1-ol is measured by static bomb combustion calorimetry and correlation gas chromatography techniques.

上流・下流製品情報

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

補足説明

定義ChEBI: A terminal acetylenic compound that is but-1-yne with one of the methyl hydrogens substituted by a hydroxy group.

関連反応

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関連ノート

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