Pentaerythritol monooleate

HCID 6436366
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Basic information

CAS
10332-32-8
Standard SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)(CO)CO
InChIKey
QQVGEJLUEOSDBB-KTKRTIGZSA-N
Molecular formula
C23H44O5
Average molar mass
400.6 g/mol
Monoisotopic mass
400.31887451

Names & identifiers

Preferred name
Pentaerythritol monooleate
IUPAC
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (Z)-octadec-9-enoate
English name
3-hydroxy-2,2-bis(hydroxymethyl)propyl oleate
Molecular formula
C23H44O5
Molecular weight
400.59

Names & synonyms

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
Show more names
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

Database identifiers

CAS
10332-32-8
PubChem CID
6436366
DTXSID
DTXSID30893109
UNII
46V85GPR8M
EC Number
233-723-7
Nikkaji
J236.770J

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
87 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
21
Heavy atoms
28

Experimental & physicochemical properties

Physical DescriptionLiquid

Physicochemical properties

Boiling point
523.6 · 523.6±50.0 °C(Predicted)
Density
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

Safety & regulation

GHS classification

GHS Classification · 3 items

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.

Hazard information

Regulatory Information · 3 items

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

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesLubricating agent
Industry UsesNot Known or Reasonably Ascertainable
Use Classification · 2 items

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 · 2 items

Petroleum Lubricating Oil and Grease Manufacturing

9-Octadecenoic acid (9Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester: ACTIVE

Suppliers35 total

南通鲁尔化工有限公司18012215199 · [email protected]
桑达化工（南通）有限公司0513-88168817 13862717117 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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