2-Methyl-3-butyn-2-ol

HCID 8258CAS 115-19-5

基本情報

標準SMILES
C#CC(C)(C)O
InChIKey
CEBKHWWANWSNTI-UHFFFAOYSA-N
分子式
C5H8O
平均分子量
84.12 g/mol
単同位体質量
84.05751488

概要

2-methyl-2-hydroxy-3-butyne is a colorless to straw yellow liquid. (USCG, 1999)

名称と識別子

優先名称
2-Methyl-3-butyn-2-ol
IUPAC
2-methylbut-3-yn-2-ol
現地名
3-メチル-1-ブチン-3-オール
英語名
3-Methyl butynol
分子式
C5H8O
分子量
84.12

名称と別名

2-METHYL-3-BUTYN-2-OL115-19-52-Methylbut-3-yn-2-ol3-Butyn-2-ol, 2-methyl-2-Methyl-2-butynolEthynyldimethylcarbinolCarbavaneDimethylethynylcarbinolDimethylethynylmethanol2-Hydroxy-2-methyl-3-butyneDimethylacetylenecarbinolDimethylacetylenylcarbinol
名称をさらに表示
3-メチル-1-ブチン-3-オールイソ-t-ペンチノールα,α-ジメチルプロパルギルアルコール2-メチル-2-ヒドロキシ-3-ブチン3,3-ジメチル-1-プロピン-3-オールジメチル(エチニル)カルビノール1,1-ジメチル-2-プロピン-1-オール2-エチニル-2-プロパノール2-メチル-3-ブチン-2-オール1,1-ジメチル-2-プロピニルアルコール1,1-ジメチルプロパルギルアルコールメチルブチノール3-メチルー1-ブチンー3-オール2メチル3ブチン2オル3-メチル-1-ブチン-3-オ?ル2‐メチル‐3‐ブチン‐2‐オール2-メチルブト-3-イン-2-オールジメチルエチニルカルビノールMBYMethyl butynol2-Methyl-3-Butyne-2-OlAB-322-MethylbutynolMethylbutylenol
1,1-Dimethylpropargyl alcoholDTXSID2021949EHB904XHKHNSC-523DTXCID701949RefChem:88076204-070-53-Methyl-1-butyn-3-ol

データベース識別子

CAS
115-19-5
PubChem CID
8258
DTXSID
DTXSID2021949
ChEMBL
CHEMBL3185871
UNII
EHB904XHKH
EC Number
204-070-5
Nikkaji
J38.146B

物性

構造計算による物性

XLogP
0.3
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
6

実験および物理化学的性質

PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesBoiling point
LogP · 2 件

0.318

0.28

Density · 3 件

0.8672 (USCG, 1999) - Less dense than water; will float

Density (gas): 0.9 kg/m³

Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.04

SolubilitySolubility in water: miscible
Flash Point · 2 件

77 °F (USCG, 1999)

20 °C c.c.

物理化学的性質

融点
3 °C · 3 °C
沸点
104 °C · 104 °C(lit.)
比重(密度)
0.868 g/mL · 0.868 g/mL at 25 °C(lit.)
蒸気圧
15 mm · 15 mm Hg ( 20 °C)
屈折率
20 · n20/D 1.42(lit.)
闪点
77 °F · 77 °F
化学的性質 · 1 件

化学的特性colourless to light yellow liquid.Methylbutynol (3-Methyl butynol) is a colorless, transparent, and aromatic liquid that can be consumed at room temperature. It is soluble in water and fatty acids and miscible with acetone, benzene, carbon tetrachloride, and petroleum ether but insoluble in ammonia. Methylbutynol and water form an azeotrope with an azeotropic point of 91 °C in the methylbutynol composition of 74% and the water composition of 26%. Methylbutynol is chemically active and has the common reactions of alcohol groups and unsaturated triple bonds, such as addition, polymerization, esterification, and oxidation reactions.

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 4.8% (24 of 500) of reports.

Danger

H225 (62.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, 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 500 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

危険有害性情報

Regulatory Information · 3 件

Chemical: 3-Butyn-2-ol, 2-methyl-

Status: Active Update: 18-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12665

3-Butyn-2-ol, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 3-Butyn-2-ol, 2-methyl-: Human health tier I assessment
DOT LabelFlammable Liquid
Fire Hazards · 2 件

Special Hazards of Combustion Products: Irritating and toxic gases, such as carbon dioxide and carbon monoxide, may be produced in fire. (USCG, 1999)

Highly flammable. Vapour/air mixtures are explosive. Risk of explosion on contact with copper.

Health HazardsContact will cause eye and skin irritation. Vapor exposure may cause eye and respiratory tract irritation. (USCG, 1999)
Hazards Summary · 1 件

An eye but not skin irritant in rabbits; Not a skin sensitizer in guinea pig modified split adjuvant test; Developmental toxicity observed in rats at doses maternally toxic; [IUCLID] Causes somnolence, lung changes, ataxia, respiratory depression, and general anesthesia in inhalation lethal-concentration studies of mice; Oral LD50 (mouse) = 500 mg/kg; [RTECS] A skin and eye irritant; May cause smarting and reddening of skin if spilled and allowed to remain on clothes; High vapor concentrations may cause mild smarting of eyes and respiratory tract; [CHRIS] An eye irritant; [ICSC] May cause serious eye injury; Harmful by ingestion; [ECHA REACH Registrations] An irritant; Harmful by ingestion; [Alfa Aesar MSDS]

安全と保護具

Fire Fighting · 2 件

Fire Extinguishing Agents Not to Be Used: Water.

Use carbon dioxide, foam, dry powder. NO water. In case of fire: keep drums, etc., cool by spraying with water. NO direct contact of the substance with water.

First Aid Measures · 4 件

Fresh air, rest.

Rinse skin with plenty of water or shower.

Rinse with plenty of water (remove contact lenses if easily possible).

Rinse mouth.

First AidGet medical attention.
Safe StorageFireproof. Separated from strong oxidants, acids and copper. Cool.
Nonfire Spill ResponseExcerpt from ERG Guide 127 [Flammable Liquids (Water-Miscible)]:
Spillage Disposal · 1 件

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer.

毒性情報

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesThe substance can be absorbed into the body by ingestion.
Signs and Symptoms · 3 件

Cough.

Redness. Pain.

Dizziness.

Toxicity DataLC50 (mouse) = 2,000 mg/m3

安全データ

wgk
1
tsca
TSCA listed
rtecs
ES0810000
ridadr
UN 1987 3/PG 2
毒性
LD50 orally in Rabbit: 1420 mg/kg LD50 dermal Rat > 2000 mg/kg
hs_code
29052990

化学と産業

用途と製造

Uses · 2 件

Has been used as a pheromone substitute in beetle control; [REPROTOX] Used as an intermediate, laboratory reagent, and in wood treatment; [ECHA REACH Registrations]

Applying Wood Preservatives [Category: Other]

General Manufacturing Information3-Butyn-2-ol, 2-methyl-: ACTIVE
応用分野 · 4 件

用途有機合成原料。

用途テルペン香料,香料,合成樹脂などの中間体,粘度安定剤,減粘剤,金属の防食剤

使用Stabilizer in chlorinated solvents, viscosity reducer and stabilizer, electroplating brightener, intermediate.

一般的な説明Colorless to straw yellow liquid.

調製方法

製造方法3-Methyl butynol is produced from Acetone and Acetylene in liquid Ammonia with Sodamide (or in Cellosolve with Potassium hydroxide). The process yields Methylbutynol which can be hydrogenated to Methylbutenol.

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]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

関連反応

483 件

関連ノート

読み込み中…