基本情報
- CAS
29733-86-6- 標準SMILES
OC=CCCO- InChIKey
OZCRKDNRAAKDAN-UHFFFAOYSA-N- 分子式
- C4H8O2
- 平均分子量
- 88.11 g/mol
- 単同位体質量
- 88.05242949
概要
1,4-butenediol is an odorless light yellow thick liquid. Sinks and mixes with water. Freezing point is 45 °F. (USCG, 1999)
名称と識別子
- 優先名称
- Butene-1,4-diol
- IUPAC
- but-1-ene-1,4-diol
名称と別名
Butene-1,4-diol29733-86-6EINECS 249-819-7DTXSID5067504RefChem:122139DTXCID4038057249-819-71,4-butaendiolbut-1-ene-1,4-diol344397-18-8SCHEMBL124660(Z)-but-1-ene-1,4-diol
名称をさらに表示
SCHEMBL7712158OZCRKDNRAAKDAN-UHFFFAOYSA-NNS00022006
データベース識別子
- CAS
29733-86-6- PubChem CID
- 122526
- DTXSID
DTXSID5067504- EC Number
- 249-819-7
物性
構造計算による物性
- XLogP
- -0.1
- 極性表面積
- 40.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 40.8
実験および物理化学的性質
Density1.07 at 77 °F (USCG, 1999) - Denser than water; will sink
Flash Point263 °F (USCG, 1999)
Boiling Point453 °F at 760 mmHg (USCG, 1999)
Melting Point45 °F (USCG, 1999)
Physical Description1,4-butenediol is an odorless light yellow thick liquid. Sinks and mixes with water. Freezing point is 45 °F. (USCG, 1999)
安全と法規制
危険有害性情報
Reactive GroupAlcohols and Polyols
Reactivity Profile
1,4-BUTENEDIOL is an alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.
Air and Water ReactionsWater soluble.
安全と保護具
Fire FightingFire Extinguishing Agents Not to Be Used: Foam or water may cause frothing.
First AidSKIN OR EYE CONTACT: flush well with water. Consult physician in cases of skin irritation, eye contact, or accidental ingestion. (USCG, 1999)
Personal Protective Equipment (PPE)Eye protection (USCG, 1999)
化学と産業
用途と製造
General Manufacturing InformationButene-1,4-diol: INACTIVE
関連反応
1 件
化合物ノート
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