(Z)-2-Buten-1,4-diol

2-Butene-1,4-diol, (2Z)-

HCID 643790CAS 110-64-5

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Grundinformationen

Standard-SMILES: OC/C=C\CO
InChIKey: ORTVZLZNOYNASJ-UPHRSURJSA-N
Summenformel: C4H8O2
Durchschnittliche Molmasse: 88,11 g/mol
Monoisotopische Masse: 88,0524295

Überblick

See also: Butene-1,4-diol (annotation moved to).

Namen und Bezeichner

Bevorzugter Name: 2-Butene-1,4-diol, (2Z)-
IUPAC: (Z)-but-2-ene-1,4-diol
Lokaler Name: (Z)-2-Buten-1,4-diol
Englischer Name: cis-2-Butene-1,4-diol
Summenformel: C4H8O2
Molmasse: 88.11

Namen und Synonyme

cis-2-Butene-1,4-Diol6117-80-2(Z)-2-Butene-1,4-diol2-butene-1,4-diol, (2Z)-cis-1,4-Dihydroxy-2-butene(2Z)-but-2-ene-1,4-diol2-Butene-1,4-diol, (Z)-(Z)-2-buten-1,4-diolZA7VGU6SCVEINECS 228-085-12-BUTENE-1,4-DIOL, CIS-RefChem:467479

Weitere Namen anzeigen

Butenediol,95%2-Butene-1,4-diol1,4-Butenediol-[2]1,4-BUTENEDIOL-[Z]Cis-1,4-butanediol

(Z)-but-2-ene-1,4-diolMFCD00002924cis-Butenediolcis-2-buten-1,4-diolcis-but-2-ene-1,4-diol(2Z)-2-Butene-1,4-diolGadobutrol Impurity 15NSC1260

Datenbank-Bezeichner

CAS: 110-64-5、6117-80-2
PubChem CID: 643790
DTXSID: DTXSID301018106
UNII: ZA7VGU6SCV
EC Number: 228-085-1
Nikkaji: J4.373G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,8
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 6
Formalladung: 0
Komplexität: 34,8

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point

Physikochemische Eigenschaften

Schmelzpunkt: 4 · 4-10 °C(lit.)
Siedepunkt: 235 °C · 235 °C(lit.)
Dichte: 1.072 g/mL · 1.072 g/mL at 20 °C(lit.)
Dampfdruck: 0.87 Pa · 0.87Pa at 25℃
Brechungsindex: 20 · n20/D 1.479
Flammpunkt: 128 °C · 128 °C
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Methanol
pka: 13.88 · 13.88±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: yellow
Wasserlöslichkeit: soluble
BRN: 1679241 · 1679241
Stabilität: Light Sensitive
InChI: 1S/C4H8O2/c5-3-1-2-4-6/h1-2,5-6H,3-4H2/b2-1-
InChIKey: ORTVZLZNOYNASJ-OWOJBTEDSA-N
SMILES: [H]\C(CO)=C(/[H])CO
LogP: -0.9 at · -0.9 at 25℃
CAS Datenbank: 6117 · 6117-80-2(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Butene-1,4-diol, (Z)-(6117-80-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2% (1 of 49) of reports.

Warning

H302 (95.9%): 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 2-Butene-1,4-diol, (Z)-

Status: Active Update: 01-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/12586

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

Hazard Classes and CategoriesAcute Tox. 4 (95.9%)

Sicherheitsdaten

wgk: 3
hs_code: 29053980
RTECS-Nr.: EM4970000
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 23-24/25-36-26
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralSTOT RE 2

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwendencis-2-Butene-1, 4-diol is used as a probe for studying isomerization versus hydrogenation and hydrogenolysis reactions. (DPCB-OMe) efficiently catalyzes cyclodehydration of cis-2-butene-1,4-diol with active methylene compounds to give 2-vinyl-2,3-dihydrofurans in good to high yields. Grubbs's cross metathesis of eugenol with cis-2-butene-1, 4-diol to make a natural product, an organometallic experiment.