(2Z)-but-2-ene-1,4-diyl diacetate

HCID 643799CAS 25260-60-0

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CC(=O)OC/C=C\COC(C)=O
InChIKey: VZUAUHWZIKOMFC-ARJAWSKDSA-N
Summenformel: C8H12O4
Durchschnittliche Molmasse: 172,18 g/mol
Monoisotopische Masse: 172,07355886

Namen und Bezeichner

Bevorzugter Name: (2Z)-but-2-ene-1,4-diyl diacetate
IUPAC: [(Z)-4-acetyloxybut-2-enyl] acetate
Englischer Name: cis-1,4-Diacetoxy-2-butene
Summenformel: C8H12O4
Molmasse: 172.18

Namen und Synonyme

(2Z)-but-2-ene-1,4-diyl diacetateEC 607-674-02-butene-1,4-diol, diacetate, (2Z)-RefChem:3991752-Butene-1,4-diol, 1,4-diacetate, (2Z)-607-674-0InChI=1/C8H12O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-4H,5-6H2,1-2H3/b4-3cis-1,4-Diacetoxy-2-butene(Z)-But-2-ene-1,4-diyl diacetate25260-60-0[(Z)-4-acetyloxybut-2-enyl] acetatecis-2-Butene-1,4-diol diacetate

Weitere Namen anzeigen

TIMTEC-BB SBB008422CIS-DIACETOXY-2-BUTENECIS-2-BUTENE-1,4-DIACETATEcis-1,4-Diacetoxy-2-butene 95%cis-1,4-Diacetoxy-2-butene >CIS-2-BUTENE-1,4-DIOL DIACETATE(Z)-2-Butene-1,4-diyl diacetate(Z)-2-Butene-1,4-diol diacetate

cis-2-buten-1,4-diol diacetatecis-1,4-Diacetoxy-2-butene, 95%But-2-ene-1,4-diyl (Z)-DiacetateD1358D89843(2Z)-4-acetyloxybut-2-enyl acetateMFCD00059339MFCD00077968

Datenbank-Bezeichner

CAS: 25260-60-0
PubChem CID: 643799
EC Number: 607-674-0
Nikkaji: J147.995D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 52,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 6
Schwere Atome: 12
Formalladung: 0
Komplexität: 163

Physikochemische Eigenschaften

Siedepunkt: 120 · 120-121 °C/18 mmHg (lit.)
Dichte: 1.08 g/mL · 1.08 g/mL at 25 °C (lit.)
Dampfdruck: 0.24 · 0.24-13.1Pa at 20-50℃
Brechungsindex: 1.4416 · 1.4416
Flammpunkt: 110 °C · >110°C
storage temp.: 2 · 2-8°C
Aggregatzustand: Liquid
Farbe: Clear colorless
Wasserlöslichkeit: Not miscible in water.
BRN: 1724379 · 1724379
InChI: 1S/C8H12O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-4H,5-6H2,1-2H3/b4-3-
InChIKey: VZUAUHWZIKOMFC-ARJAWSKDSA-N
SMILES: [H]\C(COC(C)=O)=C(/[H])COC(C)=O
LogP: -0.1 · -0.1-1.1 at 25℃ and pH3.3
CAS Datenbank: 25260 · 25260-60-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 41 reports by companies.；There are 3 notifications provided by 40 of 41 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.