1,4-Dioxan-2,5-dion

Glycolide

HCID 65432CAS 502-97-6

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Grundinformationen

Standard-SMILES: O=C1COC(=O)CO1
InChIKey: RKDVKSZUMVYZHH-UHFFFAOYSA-N
Summenformel: C4H4O4
Durchschnittliche Molmasse: 116,07 g/mol
Monoisotopische Masse: 116,01095861

Überblick

ABH001 is under investigation in clinical trial NCT01749306 (A Study of the Efficacy and Safety of ABH001 in the Treatment of Patients With Epidermolysis Bullosa Who Have Wounds That Are Not Healing).

Namen und Bezeichner

Bevorzugter Name: Glycolide
IUPAC: 1,4-dioxane-2,5-dione
Lokaler Name: 1,4-Dioxan-2,5-dion
Englischer Name: 1,4-Dioxane-2,5-dione
Summenformel: C4H4O4
Molmasse: 116.07

Namen und Synonyme

GlycolideGlycollidep-Dioxane-2,5-dioneUNII-YRZ676PGU6YRZ676PGU6EINECS 207-954-9NSC 403079NSC-403079RefChem:74901,4-Dioxane-2,5-dione502-97-6MFCD00081108

Weitere Namen anzeigen

GlycolidGLYCOLIDE A1,4-DIOXANE-2,3-DIOLL10014EGlycolide>GLYCOLIDE USPPURASORB(R) GGA Glycolide

1,4-Dioxan-2,5-dioneGlycolide S;Glycollide; Glycolide26202-08-42,5-dioxo-1,4-dioxaneGlycolide,99.9%Glycolide, >=99%SCHEMBL15066ABH001

Datenbank-Bezeichner

CAS: 502-97-6
PubChem CID: 65432
DTXSID: DTXSID8060115
UNII: YRZ676PGU6
EC Number: 207-954-9
Nikkaji: J2.602F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,2
Polarare Oberfläche (TPSA): 52,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 112

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesFusion temperature

Physical DescriptionLarge Crystals

Physikochemische Eigenschaften

Schmelzpunkt: 81 · 81-83°C
Siedepunkt: 130 °C · 130°C(lit.)
Dichte: 1.1315 · 1.1315 (rough estimate)
Brechungsindex: 1.45 · 1.4500 (estimate)
storage temp.: -20 °C · -20°C
Löslichkeit: Dichloromethane (Slightly), DMSO (Slightly)
Aggregatzustand: Solid
Farbe: White to Off-White
Stabilität: Hygroscopic
Kosmetik-Inhaltsstoffe Funktionen: HUMECTANTSKIN CONDITIONING
InChI: InChI=1S/C4H4O4/c5-3-1-7-4(6)2-8-3/h1-2H2
InChIKey: RKDVKSZUMVYZHH-UHFFFAOYSA-N
SMILES: O1CC(=O)OCC1=O
CAS Datenbank: 502 · 502-97-6(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1,4-Dioxane-2,5-dione(502-97-6)
EPA chemische Informationen: 1 · 1,4-Dioxane-2,5-dione (502-97-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (93.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

1,4-Dioxane-2,5-dione is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Dioxane-2,5-dione are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 08-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20813

Hazard Classes and CategoriesAcute Tox. 4 (93.3%)