3,6,9,12,15-Pentaoxaheptadecan-1,17-diol

Hexaethylene Glycol

HCID 17472CAS 2615-15-8

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Grundinformationen

Standard-SMILES: OCCOCCOCCOCCOCCOCCO
InChIKey: IIRDTKBZINWQAW-UHFFFAOYSA-N
Summenformel: C12H26O7
Durchschnittliche Molmasse: 282,33 g/mol
Monoisotopische Masse: 282,16785317

Überblick

Hexaethylene glycol is a poly(ethylene glycol).

Namen und Bezeichner

Bevorzugter Name: Hexaethylene Glycol
IUPAC: 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Lokaler Name: 3,6,9,12,15-Pentaoxaheptadecan-1,17-diol
Englischer Name: Hexaethylene glycol
Summenformel: C12H26O7
Molmasse: 282.33

Namen und Synonyme

HEXAETHYLENE GLYCOL2615-15-83,6,9,12,15-Pentaoxaheptadecane-1,17-diolHexagolHexaoxyethylene glycol2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanolDTXSID2058629CHEBI:497932-(2-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethanolRefChem:922913DTXCID0032316220-045-1

Weitere Namen anzeigen

PEG-6PEG6-OHOH-PEG6-OHLIPOXOL 300SKL259Hexago

HexaethyleneglycolHO-PEG6-OHMFCD00002877NSC 201209BRN 1638281AI3-01457C12H26O7Ethanol, 2,2'-(oxybis(ethyleneoxyethyleneoxy))di-

Datenbank-Bezeichner

CAS: 2615-15-8
PubChem CID: 17472
DTXSID: DTXSID2058629
ChEMBL: CHEMBL1235082
ChEBI: CHEBI:49793
EC Number: 220-045-1
Nikkaji: J49.380E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,9
Polarare Oberfläche (TPSA): 86,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 16
Schwere Atome: 19
Formalladung: 0
Komplexität: 141

Experimentelle und physikochemische Eigenschaften

CosmeticsSolvent; Humectant

SurfactantsSurfactant

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

Collision Cross Section158.09 Å² [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physikochemische Eigenschaften

Schmelzpunkt: 5 · 5-7 °C (lit.)
Siedepunkt: 217 °C/4 · 217 °C/4 mmHg (lit.)
Dichte: 1.127 g/mL · 1.127 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.465(lit.)
Flammpunkt: 110 °C · >110°C
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Miscible with chloroform and methanol.
Aggregatzustand: Oil
pka: 14.06 · 14.06±0.10(Predicted)
Wichte: 1.127 · 1.127
Farbe: Clear Colourless
BRN: 1638281 · 1638281
Stabilität: Stable. Incompatible with strong oxidizing agents.
InChI: 1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2
InChIKey: IIRDTKBZINWQAW-UHFFFAOYSA-N
SMILES: OCCOCCOCCOCCOCCOCCO
CAS Datenbank: 2615 · 2615-15-8(CAS DataBase Reference)
NIST chemische Informationen: Hexaethylene glycol(2615-15-8)
EPA chemische Informationen: Hexaethylene glycol (2615-15-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 79.2% (141 of 178) of all reports.

Warning

H319 (20.8%): 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 178 reports by companies from 4 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 3,6,9,12,15-Pentaoxaheptadecane-1,17-diol

Hexaethylene glycol: 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.

Other Safety InformationIMAP assessments - 3,6,9,12,15-Pentaoxaheptadecane-1,17-diol: Human health tier I assessment

EPA Safer ChemicalChemical: Hexaethylene glycol

Hazard Classes and CategoriesEye Irrit. 2A (20.8%)

Sicherheitsdaten

F: 3
wgk: 2
hs_code: 2909498090
RTECS-Nr.: MM3670000
safety_code: 23-24/25
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Verwendung und Herstellung

Household ProductsInformation on 36 consumer products that contain PEG-6 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 -> Solvent; Humectant

Anwendungen

VerwendenHexaethylene Glycol is part of a leaf extract (Murdannia Bracteata) which exhibits antioxidant, antimicrobial and anti-cancer properties. It also shows potential application as functional hydraulic fl uids.