基本情報
- 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
- 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
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.)
- 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
安全と法規制
GHS分類
GHS Classification
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
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
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
Exposure can cause irritation of eyes, nose and throat. (USCG, 1999)
· May cause toxic effects if inhaled or absorbed through skin.
Hazards Summary
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]
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
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
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
· 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
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
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
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
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.
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下流製品
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