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β-メタリルアルコール

Methallyl alcohol

HCID 10557
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
513-42-8
標準SMILES
C=C(C)CO
InChIKey
BYDRTKVGBRTTIT-UHFFFAOYSA-N
分子式
C4H8O
平均分子量
72.11 g/mol
単同位体質量
72.05751488

概要

Methallyl alcohol appears as a colorless liquid with a sharp pungent odor. Soluble in water and floats on water. Moderately toxic by ingestion and is an irritant to eyes and skin. Used in the chemical process industry.

名称と識別子

優先名称
Methallyl alcohol
IUPAC
2-methylprop-2-en-1-ol
現地名
β-メタリルアルコール
英語名
Methallyl alcohol
分子式
C4H8O
分子量
72.11

名称と別名

METHALLYL ALCOHOL513-42-82-Methylprop-2-en-1-ol2-Methylallyl alcoholIsopropenyl carbinol2-Propen-1-ol, 2-methyl-beta-Methallyl alcoholMethacryl alcohol3-Hydroxy-2-methylpropenebeta-Methylallyl alcohol2-Methyl-2-propenolH2T2UK4JAP
名称をさらに表示
β-メタリルアルコールメタリルアルコール2-メチルプロペン-3-オール2-メチルアリルアルコール3-ヒドロキシ-2-メチル-1-プロペン2-メチル-2-プロペン-1-オール2-メチル-1-プロペン-3-オール3-ヒドロキシ-2-メチルプロペンメトクリルアルコールイソプロペニルカルビノール2-メチル-2-プロペニルアルコールメチルアリルアルコールメタリルアルコ-ル2-メチルプロパ-2-エン-1-オール2‐メチル‐2‐プロペン‐1‐オールβ-Methallyl Alcoholmethacrylalcohol2-METHYL-2-PROPENE-1-OL'ISOBUTENOL'
NSC-30674DTXSID4060155RefChem:156850DTXCID7040998208-161-02-Methyl-2-propen-1-olMFCD00004737NSC 30674

データベース識別子

CAS
513-42-8
PubChem CID
10557
DTXSID
DTXSID4060155
UNII
H2T2UK4JAP
EC Number
208-161-0
Nikkaji
J3.640D

物性

構造計算による物性補完中

XLogP
0.8
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
形式電荷
0
複雑度
38.9

実験および物理化学的性質

Chemical ClassesFlammable agents - 3rd degree
PolymersOther Classes -> Alcohols and Polyols, Other
SpringerMaterials PropertiesCoriolis coupling
Density0.8515 at 68 °F (USCG, 1999) - Less dense than water; will float
Flash Point92 °F (USCG, 1999)
Boiling Point239 °F at 760 mmHg (USCG, 1999)
Physical Description · 2 件

Methallyl alcohol appears as a colorless liquid with a sharp pungent odor. Soluble in water and floats on water. Moderately toxic by ingestion and is an irritant to eyes and skin. Used in the chemical process industry.

Colorless liquid with a sharp pungent odor; [CAMEO] Clear colorless liquid; [Aldrich MSDS]

物理化学的性質

融点
-50 °C · -50 °C
沸点
113 · 113-115 °C(lit.)
比重(密度)
0.857 g/mL · 0.857 g/mL at 25 °C(lit.)

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 4.4% (4 of 91) of reports.

Warning

H226 (95.6%): 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 91 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

Regulatory Information · 4 件

Chemical: 2-Propen-1-ol, 2-methyl-

Status: Active Update: 19-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20768

2-Methylallyl alcohol: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelFlammable Liquid
Fire Hazards · 2 件

Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire.

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 2 件

Exposure can cause irritation of eyes, nose and throat. (USCG, 1999)

· May cause toxic effects if inhaled or absorbed through skin.

Hazards Summary · 1 件

A skin, eye, nose, and throat irritant; Moderately toxic by ingestion; [CAMEO] A moderate skin irritant; [RTECS] A skin, eye, nose, and throat irritant; Highly irritating to skin (may cause second degree burns following contact for a few minutes); [CHRIS] An irritant; [Aldrich MSDS]

化学と産業

用途と製造

UsesUsed in the chemical industry; [CAMEO]
General Manufacturing Information2-Propen-1-ol, 2-methyl-: ACTIVE

応用分野

使用2-Methyl-2-propen-1-ol (MePro) attaches to hemicellulose acetylated galactoglucomannan (AcGGM) backbone providing it with pendant sites that allow subsequent cross-linking and hydrogel formation.

一般的な説明A colorless liquid with a sharp pungent odor. Soluble in water and floats on water. Moderately toxic by ingestion and is an irritant to eyes and skin. Used in the chemical process industry.

調製方法 · 1 件

Methallyl alcohol is prepared by hydrolysis of methallyl chloride in a 10 wt% aqueous sodium hydroxide solution. Pure methallyl alcohol can be obtained by methanolysis of methallyl acetate in the presence of catalytic amounts of bases. Methallyl alcohol is used in the preparation of polymerizable esters.

上流・下流製品情報

上流原料

3-クロロ-2-メチル-1-プロペン水酸化ナトリウム

下流製品

DE-6酢酸2-メチル-2-プロペニル

関連反応

79 件
反応記録を作成
HRID 52647 の反応式
HRID 52647反応物としてuspto-grants-1997_04
HRID 58941 の反応式
HRID 58941反応物としてuspto-grants-2016_09
HRID 61337 の反応式
HRID 61337反応物としてuspto-grants-2016_09
HRID 65456 の反応式
HRID 65456反応物としてuspto-grants-1986_09
HRID 72927 の反応式
HRID 72927反応物としてuspto-grants-2014_09
HRID 131949 の反応式
HRID 131949反応物としてuspto-grants-2008_06
HRID 233599 の反応式
HRID 233599反応物としてuspto-grants-1997_01
HRID 234250 の反応式
HRID 234250反応物としてuspto-grants-1997_01
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化合物ノート

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このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
ノートを作成反応を作成見積依頼を出す
屈折率
20 · n20/D 1.426(lit.)
闪点
92 °F · 92 °F
貯蔵温度
Flammables area
溶解性
Chloroform (Slightly), Methanol (Slightly)
酸解離定数(Pka)
14.49 · 14.49±0.10(Predicted)
外見
clear liquid
比重
0.8515 · 0.8515
色
Colorless to Almost colorless
水溶解度
11 g/100mL · 11g/100mL
BRN
969226 · 969226
安定性
Light Sensitive
InChI
1S/C4H8O/c1-4(2)3-5/h5H,1,3H2,2H3
InChIKey
BYDRTKVGBRTTIT-UHFFFAOYSA-N
SMILES
CC(=C)CO
CAS データベース
513 · 513-42-8(CAS DataBase Reference)
NISTの化学物質情報
2 · 2-Propen-1-ol, 2-methyl-(513-42-8)
EPAの化学物質情報
Methallyl alcohol (513-42-8)

化学的性質

化学的特性CLEAR COLOURLESS LIQUID

DOT ID and Guide2614 129
Reactive GroupAlcohols and Polyols
Reactivity AlertsHighly Flammable
Reactivity ProfileMETHALLYL ALCOHOL may react vigorously with strong oxidizing agents. May react exothermically with reducing agents to release hydrogen gas.
DOT Hazard Classification · 4 件

Methallyl alcohol

UN2614

Class 3 Flammable and combustible liquid (49 eCFR § 173.120)

PG III: the degree of danger presented by the material is minor

Air and Water ReactionsHighly flammable and soluble in water.
Hazard Classes and Categories · 2 件

Flam. Liq. 3 (95.6%)

Flammable agents - 3rd degree

安全と保護具

Fire FightingFire Extinguishing Agents Not to Be Used: Water.
Accidental Release Measures · 2 件

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 件

Get medical attention.

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:
Isolation and Evacuation · 2 件

Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:

Immediate precautionary measure

Personal Protective Equipment (PPE)Full impervious protective clothing, including boots and gloves. Where splashing is possible wear full face shield or chemical safety goggles. Use approved respirator to protect against vapors. (USCG, 1999)
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.

毒性情報

Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLCLo (mouse) = 2,924 ppm/4hr

安全データ

wgk
3
tsca
TSCA listed
rtecs
UD5250000
ridadr
UN 2614
hs_code
29052900
risk_code
10-36/37/38
化審法
(2)-3872
消防法
危-4-2-III
hazard_code
Xi
safety_code
26-36-37/39-16
hazard_class
3
packing_group
III
Hazard Classifications
Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス
3 - Flammable liquids