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Pentaethylene glycol

HCID 62551
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Grundinformationen

CAS
113894-92-1
Standard-SMILES
OCCOCCOCCOCCOCCO
InChIKey
JLFNLZLINWHATN-UHFFFAOYSA-N
Summenformel
C10H22O6
Durchschnittliche Molmasse
238,28 g/mol
Monoisotopische Masse
238,14163842

Überblick

Pentaethylene glycol is a poly(ethylene glycol).

Namen und Bezeichner

Bevorzugter Name
Pentaethylene glycol
IUPAC
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
Englischer Name
Hydroxypropyl starch phosphate
Summenformel
C10H22O6
Molmasse
238.27808

Namen und Synonyme

Pentaethylene glycol4792-15-83,6,9,12-Tetraoxatetradecane-1,14-diolDTXSID4027579DTXCID407579CHEBI:39631RefChem:171360225-341-42-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanolHO-PEG5-OHMFCD00002878Pentaglycol
Weitere Namen anzeigen
Hydroxypropyl starch phosphateAmylopectin, phosphate, 2-hydroxypropyl ether
HO[CH2CH2O]5HOH-PEG5-OHEINECS 225-341-4BRN 1635593113894-92-1Tox21_201721PENTAETHYLENEGLYCOLCAS-4792-15-8

Datenbank-Bezeichner

CAS
113894-92-1、4792-15-8
PubChem CID
62551
DTXSID
DTXSID4027579
ChEMBL
CHEMBL1229766
ChEBI
CHEBI:39631
EC Number
225-341-4
Nikkaji
J96.998B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-1,7
Polarare Oberfläche (TPSA)
77,4 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
13
Schwere Atome
16
Formalladung
0
Komplexität
108

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Ethylene Glycols
SpringerMaterials PropertiesBoiling point
SurfactantsSurfactant
Physical Description · 2 Einträge

Liquid

Liquid; [OECD SIDS - Pentaethylene Glycol] Colorless liquid; [Alfa Aesar MSDS]

Collision Cross Section · 2 Einträge

150.1 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID4027579]

149.58 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physikochemische Eigenschaften

Kosmetik-Inhaltsstoffe Funktionen
VISCOSITY CONTROLLINGBULKING
EPA chemische Informationen
2 · Amylopectin, phosphate, 2-hydroxypropyl ether (113894-92-1)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (97.3%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 146 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 6 Einträge

Chemical: 3,6,9,12-Tetraoxatetradecane-1,14-diol

Chemical: Amylopectin, phosphate, 2-hydroxypropyl ether

3,6,9,12-Tetraoxatetradecane-1,14-diol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3,6,9,12-Tetraoxatetradecane-1,14-diol 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)

FRI - indicates a polymeric substance containing no free-radical initiator in its Inventory name but is considered to cover the designated polymer made with any free-radical initiator regardless of the amount used.

Amylopectin, phosphate, 2-hydroxypropyl ether: Does not have an individual approval but may be used under an appropriate group standard

3,6,9,12-Tetraoxatetradecane-1,14-diol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety Information · 2 Einträge

IMAP assessments - Amylopectin, phosphate, 2-hydroxypropyl ether: Human health tier I assessment

IMAP assessments - 3,6,9,12-Tetraoxatetradecane-1,14-diol: Human health tier I assessment

Hazards Summary · 1 Eintrag

Causes liver and male reproductive effects in 26-week intermittent oral studies of rats; [RTECS] Ethylene glycols: Category members demonstrate decreasing potential for systemic, reproductive, and developmental toxicity as the molecular weight increases; low dermal bioavailability; no evidence of skin sensitization in humans or guinea pigs; some evidence of mutagenicity; and no evidence of carcinogenicity. Pentaethylene glycol has the highest molecular weight in the category. The lowest molecular weight members produce renal toxicity by repeated oral exposure and developmental toxicity when rapidly ingested (bolus). These effects are not expected to occur with pentaethylene glycol; [OECD SIDS - Ethylene Glycols Category] A strong eye irritant; [Alfa Aesar MSDS]

EPA Safer ChemicalChemical: Pentaethylene glycol
Hazard Classes and CategoriesSkin Irrit. 2 (97.3%)

Toxikologische Informationen

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

Sicherheitsdaten

tsca
TSCA listed

Chemie und Industrie

Verwendung und Herstellung

Uses · 2 Einträge

Used in commercial mixtures (with tri- and tetraethylene glycols) added to brake fluids and in cement grinding; [OECD SIDS - Pentaethylene Glycol] Not manufactured in the pure form in the US; Commercial mixtures with tetraethylene glycol are produced as byproducts following distillation of ethylene, diethylene, and triethylene glycols; [OECD SIDS - Ethylene Glycols Category]

Cement Producing [Category: Industry]

U.S. Production2023: 10,000,000 - <25,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesIntermediate
Household ProductsInformation on 3 consumer products that contain Pentaethylene glycol in the following categories is provided:
Use Classification · 2 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

General Manufacturing Information · 3 Einträge

All Other Chemical Product and Preparation Manufacturing

3,6,9,12-Tetraoxatetradecane-1,14-diol: ACTIVE

Amylopectin, phosphate, 2-hydroxypropyl ether: ACTIVE

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Strke

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