3,6,9,12,15,18,21-Heptaoxatricosan-1,23-diol

Octaethylene glycol

HCID 78798CAS 5117-19-1

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Grundinformationen

Standard-SMILES: OCCOCCOCCOCCOCCOCCOCCOCCO
InChIKey: GLZWNFNQMJAZGY-UHFFFAOYSA-N
Summenformel: C16H34O9
Durchschnittliche Molmasse: 370,44 g/mol
Monoisotopische Masse: 370,22028267

Überblick

Octaethylene glycol is a poly(ethylene glycol).

Namen und Bezeichner

Bevorzugter Name: Octaethylene glycol
IUPAC: 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Lokaler Name: 3,6,9,12,15,18,21-Heptaoxatricosan-1,23-diol
Englischer Name: Octaethylene glycol
Summenformel: C16H34O9
Molmasse: 370.44

Namen und Synonyme

Octaethylene glycol5117-19-13,6,9,12,15,18,21-Heptaoxatricosane-1,23-diolDTXSID3058618CHEBI:44794RefChem:1093769DTXCID8032338Octanethyl glycolHO-PEG8-OHMFCD00698694PED-diol (n=8)C16H34O9

Weitere Namen anzeigen

HO-dPEG8-OHHO-8-OHOH-PEG8-OHHO-PEG(8)-OHctaethylene glycolOctoethyleneglycol

2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol4gs9EINECS 225-856-412034-81-0PE8CS-0031650O0295Q27120582

Datenbank-Bezeichner

CAS: 5117-19-1
PubChem CID: 78798
DTXSID: DTXSID3058618
ChEBI: CHEBI:44794
EC Number: 225-856-4
Nikkaji: J97.000J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -2,2
Polarare Oberfläche (TPSA): 105 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 9
Frei drehbare Bindungen: 22
Schwere Atome: 25
Formalladung: 0
Komplexität: 210

Experimentelle und physikochemische Eigenschaften

CosmeticsHumectant; Solvent

SurfactantsSurfactant

Food Contact Substances · 2 Einträge

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Collision Cross Section179.91 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physikochemische Eigenschaften

Schmelzpunkt: 22 °C · 22 °C
Siedepunkt: 175 °C · 175 °C(Press: 0.01 Torr)
Dichte: 1.13 · 1.13
Brechungsindex: 1.464 · 1.4640-1.4680
storage temp.: -20 °C · -20°C
Aggregatzustand: powder to lump to clear liquid
pka: 14.06 · 14.06±0.10(Predicted)
Farbe: White or Colorless to Light yellow
Kosmetik-Inhaltsstoffe Funktionen: SOLVENTHUMECTANT
InChI: InChI=1S/C16H34O9/c17-1-3-19-5-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-6-20-4-2-18/h17-18H,1-16H2
InChIKey: GLZWNFNQMJAZGY-UHFFFAOYSA-N
SMILES: C(O)COCCOCCOCCOCCOCCOCCOCCO
CAS Datenbank: 5117 · 5117-19-1(CAS DataBase Reference)
EPA chemische Informationen: Octaethylene glycol (5117-19-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (116 of 116) of all reports.

Not Classified

Aggregated GHS information provided per 116 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information3,6,9,12,15,18,21-Heptaoxatricosane-1,23-diol: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

EPA Safer ChemicalChemical: Octaethylene glycol

Hazard Classes and CategoriesNot Classified

Sicherheitsdaten

wgk: 3
hs_code: 2909498090
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Verwendung und Herstellung

Household ProductsInformation on 61 consumer products that contain PEG-8 in the following categories is provided:

Use Classification · 3 Einträge

EPA Safer Chemical Functional Use Classes -> Processing Aids and Additives

Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern

Cosmetics -> Humectant; Solvent

Anwendungen

VerwendenOctaethylene Glycol is part of a leaf extract (Murdannia Bracteata) which was shown to exhibit antioxidant, antimicrobial and anti-cancer properties.Octaethylene Glycol also shows potential application as functional hydraulic fluids.