Dioxanone

p-dioxanone · 4-dioxanone · NSC 60534 · 2-p-Dioxanone · para-Dioxanone · p-Dioxan-2-one · 4-Dioxan-2-one · 1,4-Dioxan-2-One

Identifikatoren & physikalische Daten

CAS No.	3041-16-5
Summenformel	C4H6O3
Durchschnittliche Molmasse	102,09 g/mol
Monoisotopische Masse	102,03169405 g/mol
SMILES	O=C1COCCO1
InChIKey	VPVXHAANQNHFSF-UHFFFAOYSA-N
PubChem CID	18233
EC No.	608-477-2
DTXSID	DTXSID801336935

XLogP	-0,2
Polarare Oberfläche (TPSA)	35,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	0
Schwere Atome	7
Formalladung	0
Komplexität	79
Schmelzpunkt	28°C(lit.)
Siedepunkt	215°C(lit.)
Dichte	1.1717 (rough estimate)
Dampfdruck	11-19Pa at 20-25℃
Brechungsindex	1.4540 (estimate)
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit	Acetonitrile (Slightly), Chloroform (Sparingly), Ethyl Acetate (Slightly)
Aggregatzustand	Solid
Farbe	White to Off-White
InChI	InChI=1S/C4H6O3/c5-4-3-6-1-2-7-4/h1-3H2
InChIKey	VPVXHAANQNHFSF-UHFFFAOYSA-N
SMILES	O1CCOCC1=O
LogP (Verteilungskoeffizient)	0.3 at pH7
CAS Datenbank	3041-16-5

GHS-Einstufung	DangerH318 (99.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)Aggregated GHS information provided per 109 reports by companies from 5 notifications to the ECHA C&L Inventory.H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Regulatorische Informationen	Status: Active Update: 24-05-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/28337
Hazard Classes and Categories	Eye Dam. 1 (99.1%)Eye Dam. 1 (100%)
UN-Transportnummer	1993
Zollcode	2932.20.5050
RTECS-Nr.	JH2290000
Gefahrenklasse	3
Verpackungsgruppe	Ⅱ

1,4-Dioxan-2-one is used in the synthesis of novel copolymers and tri-block polymers.