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

이름 및 식별자

우선 이름: 2-Butene-1,4-diol
IUPAC: but-2-ene-1,4-diol
현지명: 부텐(2-)-1,4-디올
영어명: 2-Butene-1,4-diol
분자식: C4H8O2
분자량: 88.11

이름 및 동의어

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

이름 더 보기

2-부텐-1,4-디올부텐(2-)-1,4-디올부트-2-엔-1,4-디올1,4-다이하이드록시-2-뷰텐1,4-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -0.8
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 6
형식 전하: 0
복잡도: 34.8

실험 및 물리화학적 성질

PolymersOther Classes -> Alcohols and Polyols, Other

SpringerMaterials PropertiesChemical shift

OdorODORLESS

Density · 2건

1.067-1.074

1.07 @25 °C

Color/FormALMOST COLORLESS LIQUID

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

물리화학적 성질

녹는점: 4 · 4-10 °C(lit.)
끓는 점: 235 °C · 235 °C(lit.)
밀도: 1.07 g/mL · 1.07 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.479
인화점: 230 °F · >230 °F
저장 조건: 2 · Storage temp. 2-8°C
용해도: 클로로포름(에 용해됨), DMSO(약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): 14.17 · 14.17±0.10(Predicted)
색상: 노란색
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
NIST: 2 · 2-Butene-1,4-diol(110-64-5)
EPA: 2 · 2-Butene-1,4-diol (110-64-5)

화학적 성질

Colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 6건

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]

유해성 정보

Regulatory Information · 2건

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 · 3건

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 · 2건

Acute Tox. 4 (100%)

Self-reactive substances and mixtures - Type G

안전 및 보호

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

Protective Action Criteria (PAC) · 3건

3.8 [mg/m3]

41 [mg/m3]

250 [mg/m3]

독성 정보

Adverse EffectsNeurotoxin - Other CNS neurotoxin

Human Toxicity ExcerptsPRIMARY SKIN IRRITANT.

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: EM4970000
HS 번호: 29053990
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 23-24/25-36-26
기존화학 물질: KE-04078
F 고인화성물질: 23
유해 물질 데이터: 110-64-5(Hazardous Substances Data)

화학 및 산업

용도 및 제조

Uses · 6건

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 · 2건

(1979) No Data

(1981) No Data

U.S. Imports · 2건

(1979) No Data

(1981) No Data

U.S. Production · 2건

(1979) PROBABLY MORE THAN 2.27X10+6 GRAMS

(1981) PROBABLY MORE THAN 2.27X10+6 GRAMS

Methods of Manufacturing · 2건

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 · 2건

2-Butene-1,4-diol: ACTIVE

TECHNICAL BUTENEDIOL IS PREDOMINANTLY THE CIS-ISOMER.

응용 분야 · 2건

개요2-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.

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