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

Glyceryl Allyl Ether

HCID 78950CAS 123-34-2

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Grundinformationen

Standard-SMILES: C=CCOCC(O)CO
InChIKey: PAKCOSURAUIXFG-UHFFFAOYSA-N
Summenformel: C6H12O3
Durchschnittliche Molmasse: 132,16 g/mol
Monoisotopische Masse: 132,07864424

Namen und Bezeichner

Bevorzugter Name: Glyceryl Allyl Ether
IUPAC: 3-prop-2-enoxypropane-1,2-diol
Lokaler Name: 3-(Allyloxy)propan-1,2-diol
Englischer Name: 3-Allyloxy-1,2-propanediol
Summenformel: C6H12O3
Molmasse: 132.16

Namen und Synonyme

3-Allyloxy-1,2-propanediol123-34-23-(Allyloxy)propane-1,2-diolGlycerol 1-allyletherglyceryl allyl ether3-(Allyloxy)-1,2-propanediolGlycerol alpha-monoallyl etherEther, allyl glycerylGlycerin 1-allyl ether3-(Allyloxy)propanediol3-(2-Propenyloxy)-1,2-propanediol1-Allyloxy-2,3-propanediol

Weitere Namen anzeigen

GAE3-AL-Allylglyceroetherether,allylglyceryloxy-1,2-propanedioLglycerin1-allyletherGlycerin allyl ether

1,2-Propanediol, 3-(2-propen-1-yloxy)-Glycerol alpha-allyl etherGlycerol 1-allyl etheralpha-Allyl glycerol ether1,2-Propanediol, 3-(2-propenyloxy)-NSC 59722DTXSID4044375Glycerol .alpha.-monoallyl ether

Datenbank-Bezeichner

CAS: 123-34-2
PubChem CID: 78950
DTXSID: DTXSID4044375
ChEMBL: CHEMBL3182656
UNII: 085RW4Y3PU
EC Number: 204-620-4
Nikkaji: J36.836I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,6
Polarare Oberfläche (TPSA): 49,7 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 5
Schwere Atome: 9
Formalladung: 0
Komplexität: 72,7

Experimentelle und physikochemische Eigenschaften

CosmeticsCosmetic ingredients (Glyceryl Allyl Ether) -> CIR (Cosmetic Ingredient Review)

Physikochemische Eigenschaften

Schmelzpunkt: -100 °C · -100 °C
Siedepunkt: 142 °C28 · 142 °C28 mm Hg(lit.)
Dichte: 1.068 g/mL · 1.068 g/mL at 25 °C(lit.)
Dampfdruck: 0.004 hPa · 0.004 hPa (20 °C)
Brechungsindex: 20 · n20/D 1.462(lit.)
Flammpunkt: 132 °C · 132 °C
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: Completely miscible in water
pka: 13.75 · 13.75±0.20(Predicted)
Aggregatzustand: Viscous Liquid
Farbe: Clear colorless to light yellow
PH: 6.5 · 6.5-7.5 (1000g/l, H2O, 20℃)
Wasserlöslichkeit: 163.2 g/L · 163.2g/L at 25℃
BRN: 1701144 · 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: 0.29 at · 0.29 at 23℃
CAS Datenbank: 123 · 123-34-2(CAS DataBase Reference)
EPA chemische Informationen: 1 · Glycerol 1-allylether (123-34-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H319 (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.

Gefahrenhinweise

Regulatory Information · 4 Einträge

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/22603

1,2-Propanediol, 3-(2-propenyloxy)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Toxikologische Informationen

Toxicity SummarySafe 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