(3S-cis)-3,6-Dimethyl-1,4-dioxan-2,5-dion

Lactide, L-

HCID 107983CAS 33135-50-1

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Grundinformationen

Standard-SMILES: C[C@@H]1OC(=O)[C@H](C)OC1=O
InChIKey: JJTUDXZGHPGLLC-IMJSIDKUSA-N
Summenformel: C6H8O4
Durchschnittliche Molmasse: 144,12 g/mol
Monoisotopische Masse: 144,04225874

Überblick

Lactide, L- is under investigation in clinical trial NCT05450471 (Effectiveness of Endonasal Polymeric Implant for Chronic Rhinosinusitis).

Namen und Bezeichner

Bevorzugter Name: Lactide, L-
IUPAC: (3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dione
Lokaler Name: (3S-cis)-3,6-Dimethyl-1,4-dioxan-2,5-dion
Englischer Name: L-Lactide
Summenformel: C6H8O4
Molmasse: 144.13

Namen und Synonyme

L-Lactide4511-42-6L-(-)-LactideL,L-DilactideLactide, L-(-)-L-DilactidePurasorb LLL-Lactide(3S-cis)-3,6-Dimethyl-1,4-dioxane-2,5-dioneUNII-IJ13TO4NO1IJ13TO4NO1EINECS 224-832-0

Weitere Namen anzeigen

LACTIDEL-LAL-(-)-DILACTIDE(3S)-CIS-3,6-DIMETHYL-1,4-DIOXANE-2,5-DIONEactide-(-)-L(3S,6S)

EC 224-832-01,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3S-cis)-P-DIOXANE-2,5-DIONE, 3,6-DIMETHYL-, L-1,4-DIOXANE-2,5-DIONE, 3,6-DIMETHYL-, (3S,5S)-RefChem:7658224-832-0(3S,6S)-3,6-dimethyl-1,4-dioxane-2,5-dioneL-Dilactide

Datenbank-Bezeichner

CAS: 33135-50-1、4511-42-6
PubChem CID: 107983
DTXSID: DTXSID5049655
UNII: IJ13TO4NO1
EC Number: 224-832-0
Nikkaji: J150.826A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 52,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 155

Physikochemische Eigenschaften

Schmelzpunkt: 92 · 92-94 °C(lit.)
Siedepunkt: 255 °C · 255°C
Dichte: 1.186 · 1.186±0.06 g/cm3(Predicted)
Dampfdruck: 0.311 Pa · 0.311Pa at 25℃
Brechungsindex: 1.4475 · 1.4475
storage temp.: 2 · 2-8°C
Löslichkeit: Soluble in chloroform, and methanol. Slightly soluble in benzene.
Aggregatzustand: Solid
Farbe: White to Off-White
Wasserlöslichkeit: 16.7 g/L · 16.7g/L at 20℃
BRN: 82124 · 82124
Stabilität: Hygroscopic
InChI: 1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3/t3-,4-/m0/s1
InChIKey: JJTUDXZGHPGLLC-IMJSIDKUSA-N
SMILES: C[C@@H]1OC(=O)[C@H](C)OC1=O
LogP: 0.4 at · 0.4 at 25℃
CAS Datenbank: 4511 · 4511-42-6(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3S,6S)- (4511-42-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (10.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 183 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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

Status: Active Update: 01-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11212

Hazard Classes and CategoriesSkin Corr. 1B (10.9%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29322090
risk_code: 36/37/38-36
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 13 - Non Combustible Solids
Hazard Classifications: Eye Irrit. 2

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3S,6S)-: ACTIVE

Anwendungen

Verwenden(3S)-cis-3,6-Dimethyl-1,4-dioxane-2,5-dione may be used in the synthesis of optically active terpyridine containing poly(L-lactide)s, polydisperse lactic acid oligomers, bicyclic and tricyclic lactide derivatives.