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HCID 76366Erstellt: 31. Oktober 2026

2,2-Bis[[(1-oxooctyl)oxy]methyl]-1,3-propandiyldioctanoat

Pentaerythritol tetracaprylate · Einecs 221-123-8 · pentaerythritol octanoate · Pentaerythritol caprylate · PENTAERYTHRITALTETRACAPRYLATE · Pentaerythritol tetraoctanoate · 2,2-Bis[(octanoyloxy)methyl]-1,3-propanediol dioctanoate · 2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl dioctanoate

https://huagongshe.com/de/chemical/76366

Molekülstruktur von 2,2-Bis[[(1-oxooctyl)oxy]methyl]-1,3-propandiyldioctanoat

Identifikatoren & physikalische Daten

CAS No.	3008-50-2
Summenformel	C37H68O8
Durchschnittliche Molmasse	640,9 g/mol
Monoisotopische Masse	640,49141912 g/mol
SMILES	CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC
InChIKey	CFRNDJFRRKMHTL-UHFFFAOYSA-N
PubChem CID	76366
EC No.	221-123-8
DTXSID	DTXSID00863076
Lokaler Name	2,2-Bis[[(1-oxooctyl)oxy]methyl]-1,3-propandiyldioctanoat

Chemische & physikalische Eigenschaften

XLogP	11,9
Polarare Oberfläche (TPSA)	105
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	8
Frei drehbare Bindungen	36
Schwere Atome	45
Formalladung	0
Komplexität	625
Siedepunkt	659.5±50.0 °C(Predicted)
Dichte	0.981±0.06 g/cm3(Predicted)
EPA chemische Informationen	Pentaerythritol tetraoctanoate (3008-50-2)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 100% (147 of 147) of all reports.Not ClassifiedAggregated GHS information provided per 147 reports by companies from 1 notifications to the ECHA C&L Inventory.
Regulatorische Informationen	Chemical: Octanoic acid, 2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl esterOctanoic acid, 2,2-bis(1-oxooctyl)oxymethyl-1,3-propanediyl ester: 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.
Weitere Sicherheitsinformationen	Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and Categories	Not Classified
TSCA-Inventar-Status	TSCA listed

2,2-Bis[[(1-oxooctyl)oxy]methyl]-1,3-propandiyldioctanoat

Identifikatoren & physikalische Daten

CAS No.

3008-50-2

Summenformel

C37H68O8

Durchschnittliche Molmasse

640,9 g/mol

Monoisotopische Masse

640,49141912 g/mol

SMILES

CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC

InChIKey

CFRNDJFRRKMHTL-UHFFFAOYSA-N

PubChem CID

76366

EC No.

221-123-8

DTXSID

DTXSID00863076

Lokaler Name

2,2-Bis[[(1-oxooctyl)oxy]methyl]-1,3-propandiyldioctanoat

XLogP

11,9

Polarare Oberfläche (TPSA)

105

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

625

Siedepunkt

659.5±50.0 °C(Predicted)

Dichte

0.981±0.06 g/cm3(Predicted)

EPA chemische Informationen

Pentaerythritol tetraoctanoate (3008-50-2)

Sicherheit & Vorschriften

GHS-Einstufung

This chemical does not meet GHS hazard criteria for 100% (147 of 147) of all reports.Not ClassifiedAggregated GHS information provided per 147 reports by companies from 1 notifications to the ECHA C&L Inventory.

Regulatorische Informationen

Chemical: Octanoic acid, 2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl esterOctanoic acid, 2,2-bis(1-oxooctyl)oxymethyl-1,3-propanediyl ester: 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.

Weitere Sicherheitsinformationen

Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazard Classes and Categories

Not Classified

TSCA-Inventar-Status

TSCA listed