Trimethylolpropane trioleate
Basic information
- CAS
57675-44-2- Standard SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC- InChIKey
BTGGRPUPMPLZNT-PGEUSFDPSA-N- Molecular formula
- C60H110O6
- Average molar mass
- 927.5 g/mol
- Monoisotopic mass
- 926.83024122
Names & identifiers
- Preferred name
- Trimethylolpropane trioleate
- IUPAC
- 2,2-bis[[(Z)-octadec-9-enoyl]oxymethyl]butyl (Z)-octadec-9-enoate
- English name
- 2-ethyl-2-[[(1-oxooleyl)oxy]methyl]-1,3-propanediyl dioleate
- Molecular formula
- C60H110O6
- Molecular weight
- 927.51
Names & synonyms
Trimethylolpropane trioleate57675-44-22-ethyl-2-[[(1-oxooleyl)oxy]methyl]-1,3-propanediyl dioleateUNII-S448BZW2BRS448BZW2BREINECS 260-895-0DTXSID40280442-Ethyl-2-(((1-oxooleyl)oxy)methyl)-1,3-propanediyl dioleate9-Octadecenoic acid (9Z)-, 1,1'-(2-ethyl-2-((((9Z)-1-oxo-9-octadecen-1-yl)oxy)methyl)-1,3-propanediyl) ester9-Octadecenoic acid (Z)-, 2-ethyl-2-(((1-oxo-9-octadecenyl)oxy)methyl)-1,3-propanediyl ester, (Z)-9-Octadecenoic acid (9Z)-, 1,1'-[2-ethyl-2-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]-1,3-propanediyl] esterRefChem:191800
Show more names
TMPTOTrimethylolpropan-trioleatTrimethylopropane trioleateTrimethylol propane orelate1,1,1-Trimethylolpropane trioleatePropylidynetris(methylene) trioleateTrihydroxymethylpropyl caprylic/capricate2-Ethyl-2-(oleoyloxymethyl)-1,3-propanediol dioleate(Z)-2-Ethyl-2-((oleoyloxy)Methyl)propane-1,3-diyl dioleate
DTXCID6080442,2-bis[[(Z)-octadec-9-enoyl]oxymethyl]butyl (Z)-octadec-9-enoateMFCD000726309-Octadecenoic acid (9Z)-, 2-ethyl-2-[[[(9Z)-1-oxo-9-octadecenyl]oxy]methyl]-1,3-propanediyl esterC60H110O69-Octadecenoic acid (9Z)-, 2-ethyl-2-((((9Z)-1-oxo-9-octadecenyl)oxy)methyl)-1,3-propanediyl estertrimethylolpropanetrioleateSCHEMBL9724337
Database identifiers
- CAS
57675-44-2- PubChem CID
- 6436686
- DTXSID
DTXSID4028044- UNII
- S448BZW2BR
- EC Number
- 260-895-0
- Nikkaji
- J296.764B
Properties
Computed structural properties
- XLogP
- 23.3
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 55
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,000
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- -37 °C · -37 °C
- Boiling point
- 851 · 851.0±65.0 °C(Predicted)
- Density
- 0.918 · 0.918±0.06 g/cm3(Predicted)
- LogP
- 24.895 · 24.895 (est)
- FDA UNII
- 448 BZW2BR · S448BZW2BR
- EPA Substance Registry System
- 9 · 9-Octadecenoic acid (9Z)-, 1,1'-[2-ethyl-2-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]-1,3-propanediyl] ester (57675-44-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 99.8% (571 of 572) of all reports.
Not Classified
Aggregated GHS information provided per 572 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 9-Octadecenoic acid, 2-ethyl-2-[[(1-oxo-9-octadecenyl)oxy]methyl]-1,3-propanediyl ester, (Z,Z)-
9-Octadecenoic acid (9Z)-, 1,1'-[2-ethyl-2-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]-1,3-propanediyl] ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9-Octadecenoic acid (9Z)-, 1,1'-[2-ethyl-2-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]-1,3-propanediyl] 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)-, 2-ethyl-2-(9Z)-1-oxo-9-octadecenyloxymethyl-1,3-propanediyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 10,000,000 - <25,000,000 lb
Consumer UsesLubricating agent
Industry UsesSurfactant (surface active agent)
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing
9-Octadecenoic acid (9Z)-, 1,1'-[2-ethyl-2-[[[(9Z)-1-oxo-9-octadecen-1-yl]oxy]methyl]-1,3-propanediyl] ester: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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