3-(Allyloxy)propan-1,2-diol

GAE · 3-AL · NSC 59722 · -Allylglyceroether · ether,allylglyceryl · oxy-1,2-propanedioL · glycerin1-allylether · Glycerin allyl ether

Identifikatoren & physikalische Daten

CAS No.	123-34-2
Summenformel	C6H12O3
Durchschnittliche Molmasse	132,16 g/mol
Monoisotopische Masse	132,07864424 g/mol
SMILES	C=CCOCC(O)CO
InChIKey	PAKCOSURAUIXFG-UHFFFAOYSA-N
PubChem CID	78950
ChEMBL	CHEMBL3182656
EC No.	204-620-4
DTXSID	DTXSID4044375
Lokaler Name	3-(Allyloxy)propan-1,2-diol

XLogP	-0,6
Polarare Oberfläche (TPSA)	49,7
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	5
Schwere Atome	9
Formalladung	0
Komplexität	72,7
Kosmetika	Cosmetic ingredients (Glyceryl Allyl Ether) -> CIR (Cosmetic Ingredient Review)
Schmelzpunkt	-100 °C
Siedepunkt	142 °C28 mm Hg(lit.)
Dichte	1.068 g/mL at 25 °C(lit.)
Dampfdruck	0.004 hPa (20 °C)
Brechungsindex	n20/D 1.462(lit.)
Flammpunkt	132 °C
Lagerbedingungen	Store below +30°C.
Löslichkeit	Completely miscible in water163.2g/L at 25℃
pKa (Säurekonstante)	13.75±0.20(Predicted)
Aggregatzustand	Viscous Liquid
Farbe	Clear colorless to light yellow
pH	6.5-7.5 (1000g/l, H2O, 20℃)
BRN	1701144
InChI	1S/C6H12O3/c1-2-3-9-5-6(8)4-7/h2,6-8H,1,3-5H2
InChIKey	PAKCOSURAUIXFG-UHFFFAOYSA-N
SMILES	OCC(O)COCC=C
LogP (Verteilungskoeffizient)	0.29 at 23℃
CAS Datenbank	123-34-2(CAS DataBase Reference)
EPA chemische Informationen	Glycerol 1-allylether (123-34-2)

GHS-Einstufung	WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 100 reports by companies from 2 notifications to the ECHA C&L Inventory.
Regulatorische Informationen	Chemical: 1,2-Propanediol, 3-(2-propenyloxy)-1,2-Propanediol, 3-(2-propen-1-yloxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Propanediol, 3-(2-propen-1-yloxy)- 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)Status: Active Update: 04-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/226031,2-Propanediol, 3-(2-propenyloxy)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Eye Irrit. 2 (100%)
Toxizitätsübersicht	Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Wassergefährdungsklasse (WGK)	1
TSCA-Inventar-Status	TSCA listed
Zollcode	2909 49 80
RTECS-Nr.	TY2700000
R-Sätze (R)	36
Toxizität	LD50 orally in Rabbit: 5400 mg/kg LD50 dermal Rat 4300 mg/kg
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26
Lagerklasse	10 - Combustible liquids