3-Hydroxy-2,2-bis(hydroxymethyl)propyloleat
Pentaerythritol monooleate
Grundinformationen
- CAS
10332-32-8- Standard-SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)(CO)CO- InChIKey
QQVGEJLUEOSDBB-KTKRTIGZSA-N- Summenformel
- C23H44O5
- Durchschnittliche Molmasse
- 400,6 g/mol
- Monoisotopische Masse
- 400,31887451
Namen und Bezeichner
- Bevorzugter Name
- Pentaerythritol monooleate
- IUPAC
- [3-hydroxy-2,2-bis(hydroxymethyl)propyl] (Z)-octadec-9-enoate
- Lokaler Name
- 3-Hydroxy-2,2-bis(hydroxymethyl)propyloleat
- Englischer Name
- 3-hydroxy-2,2-bis(hydroxymethyl)propyl oleate
- Summenformel
- C23H44O5
- Molmasse
- 400.59
Namen und Synonyme
Pentaerythritol monooleate10332-32-83-Hydroxy-2,2-bis(hydroxymethyl)propyl oleatepentaerythrityl monooleate46V85GPR8M9-Octadecenoic acid (9Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl esterEINECS 233-723-7AI3-07501DTXSID308931099-Octadecenoic acid, (Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl esterRefChem:859743DTXCID301323054
Weitere Namen anzeigen
Pentaerythritol oleate (PEO)Oleic acid 2,2-bis(hydroxymethyl)-3-hydroxypropyl ester(Z)-9-Octadecenoic acid 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (Z)-octadec-9-enoateUNII-46V85GPR8Mpentaerythritol mono-oleateSCHEMBL1455473-HYDROXY-2,2-BIS(HYDROXYMETHYL)PROPYL (9Z)-OCTADEC-9-ENOATENS00086455Q27258960
Datenbank-Bezeichner
- CAS
10332-32-8- PubChem CID
- 6436366
- DTXSID
DTXSID30893109- UNII
- 46V85GPR8M
- EC Number
- 233-723-7
- Nikkaji
- J236.770J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,7
- Polarare Oberfläche (TPSA)
- 87 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 21
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 369
Experimentelle und physikochemische Eigenschaften
Physical DescriptionLiquid
Physikochemische Eigenschaften
- Siedepunkt
- 523.6 · 523.6±50.0 °C(Predicted)
- Dichte
- 1.006 · 1.006±0.06 g/cm3(Predicted)
- pka
- 13.51 · 13.51±0.10(Predicted)
- InChI
- InChI=1S/C23H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)28-21-23(18-24,19-25)20-26/h9-10,24-26H,2-8,11-21H2,1H3/b10-9-
- InChIKey
- QQVGEJLUEOSDBB-KTKRTIGZSA-N
- SMILES
- C(OCC(CO)(CO)CO)(=O)CCCCCCC/C=C\CCCCCCCC
- EPA chemische Informationen
- 9 · 9-Octadecenoic acid (9Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester (10332-32-8)
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
This chemical does not meet GHS hazard criteria for 100% (59 of 59) of all reports.
Not Classified
Aggregated GHS information provided per 59 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 9-Octadecenoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propylester, (Z)-
9-Octadecenoic acid (9Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9-Octadecenoic acid (9Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester 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)
9-Octadecenoic acid (9Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
EPA Safer ChemicalChemical: Pentaerythritol monooleate
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesLubricating agent
Industry UsesNot Known or Reasonably Ascertainable
Use Classification
EPA Safer Chemical Functional Use Classes -> Solvents
Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing
9-Octadecenoic acid (9Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester: ACTIVE
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