2-Butene-1,4-diol (HCID 8065)

名称と識別子

優先名称: 2-Butene-1,4-diol
IUPAC: but-2-ene-1,4-diol
現地名: 2-ブテン-1,4-ジオール
英語名: 2-Butene-1,4-diol
分子式: C4H8O2
分子量: 88.11

名称と別名

2-Butene-1,4-diol110-64-5DTXSID9026849Butenediol1,4-DIHYDROXY-2-BUTENEDTXCID90809569NSC-976RefChem:570515203-787-02I323Z5567Agrisynth B2DNSC-1260

名称をさらに表示

2-ブテン-1,4-ジオール2-ブテン-1,4-ジオル2-ブテン-1,4-ジオ-ル2-ブテン-1,4-ジオール (cis-, trans-混合物)2-ブテン-1,4-ジオ?ル2-ブテン-1,4-ジオール, CIS/TRANS MIXTURE1,4-Butendiolbutene-1,4-diolCIS-1,4-DIHYDROXY-2-BUTENE1,4-butene glycol1,4-dihydroxy-2-buten2-Butene-1agrisynthb2d

2-Butene-1,4-diol(cis+trans)but-2-ene-1,4-diol2-Buten-1,4-diolZ/E-But-2-ene-1,4-diorac-2-?Butene-?1,?4-?diol(Z)2-Butene-1,4-Diol1,4dihydroxybut-2-eneSCHEMBL41219

データベース識別子

CAS: 110-64-5
PubChem CID: 8065
DTXSID: DTXSID9026849
EC Number: 203-787-0

物性

構造計算による物性

XLogP: -0.8
極性表面積: 40.5 Å²
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: 34.8

実験および物理化学的性質

PolymersOther Classes -> Alcohols and Polyols, Other

SpringerMaterials PropertiesChemical shift

OdorODORLESS

Density · 2 件

1.067-1.074

1.07 @25 °C

Color/FormALMOST COLORLESS LIQUID

SolubilityVERY SOL IN WATER, ETHYL ALCOHOL, ACETONE; SPARINGLY SOL IN BENZENE

物理化学的性質

融点: 4 · 4-10 °C(lit.)
沸点: 235 °C · 235 °C(lit.)
比重(密度): 1.07 g/mL · 1.07 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.479
闪点: 230 °F · >230 °F
貯蔵温度: 2 · Storage temp. 2-8°C
溶解性: Chloroform (Soluble), DMSO (Slightly)
外見: Oil
酸解離定数(Pka): 14.17 · 14.17±0.10(Predicted)
色: 黄色
Henry's Law Constant: 3.4 · 3.4×102 mol/(m3Pa) at 25℃, Altschuh et al. (1999)
InChI: InChI=1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2
InChIKey: ORTVZLZNOYNASJ-UHFFFAOYSA-N
SMILES: C(O)C=CCO
CAS データベース: 110 · 110-64-5(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Butene-1,4-diol(110-64-5)
EPAの化学物質情報: 2 · 2-Butene-1,4-diol (110-64-5)

化学的性質

化学的特性Colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

危険有害性情報

Regulatory Information · 2 件

Chemical: 2-Butene-1,4-diol

2-Butene-1,4-diol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryEmergency treatment: irritants; [HSDB] Causes convulsions in lethal-dose studies of rats (intraperitoneal); [RTECS] An irritant; [MSDSonline]

NFPA Hazard Classification · 3 件

1 - Materials that, under emergency conditions, can cause significant irritation.

1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.

0 - Materials that in themselves are normally stable, even under fire conditions.

Hazard Classes and Categories · 2 件

Acute Tox. 4 (100%)

Self-reactive substances and mixtures - Type G

安全と保護具

Fire Fighting ProceduresWATER OR FOAM MAY CAUSE FROTHING. "ALCOHOL" FOAM.

Protective Action Criteria (PAC) · 3 件

3.8 [mg/m3]

41 [mg/m3]

250 [mg/m3]

毒性情報

Adverse EffectsNeurotoxin - Other CNS neurotoxin

Human Toxicity ExcerptsPRIMARY SKIN IRRITANT.

安全データ

F: 23
wgk: 3
tsca: TSCA listed
rtecs: EM4970000
hs_code: 29053990
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 23-24/25-36-26
有毒物質データの: 110-64-5(Hazardous Substances Data)

化学と産業

用途と製造

Uses · 6 件

Used as a chemical intermediate for alkyd resins, plasticizers, nylon, pharmaceuticals, and endosulfan (an insecticide); Also used as a cross-linking agent for synthetic resins, in the manufacture of fungicides, as a comonomer for polyurethanes with toluene diisocyanates, and as a reducing agent in chrome tanning baths; [HSDB]

Plastic Composites Manufacturing [Category: Industry]

INTERMEDIATE FOR ALKYD RESINS, PLASTICIZERS, NYLON, PHARMACEUTICALS; CROSS LINKING AGENT FOR SYNTHETIC RESINS

MFR OF FUNGICIDES

CHEM INT FOR 1,4-BUTANEDIOL

CHEM INT FOR ENDOSULFAN (AN INSECTICIDE)

U.S. Exports · 2 件

(1979) No Data

(1981) No Data

U.S. Imports · 2 件

(1979) No Data

(1981) No Data

U.S. Production · 2 件

(1979) PROBABLY MORE THAN 2.27X10+6 GRAMS

(1981) PROBABLY MORE THAN 2.27X10+6 GRAMS

Methods of Manufacturing · 2 件

BY REDUCTION OF 2-BUTYNE-1,4-DIOL; BY HIGH PRESSURE SYNTHESIS FROM ACETYLENE & FORMALDEHYDE.

HYDROGENATION OF 2-BUTYNE-1,4-DIOL IN THE PRESENCE OF A RANEY NICKEL CATALYST

General Manufacturing Information · 2 件

2-Butene-1,4-diol: ACTIVE

TECHNICAL BUTENEDIOL IS PREDOMINANTLY THE CIS-ISOMER.

応用分野 · 3 件

用途合成樹脂,可塑剤,ポリアミド系繊維の合成原料

説明2-Buten-1,4-diol is a palladium-containing compound that forms cross-links by reacting with an oxygen nucleophile. It reacts with nitrogen nucleophiles in the presence of hydrochloric acid to provide gamma-aminobutyric acid. This reaction mechanism is analogous to the way in which amines react with carboxylic acids to form amides. cis,trans-2-Buten-1,4-diol can be found in kinetic studies and its nmr spectra have been studied extensively.

使用It is used to make agricultural chemicalsand the pesticide endosulfan; and as anintermediate for making vitamin B.