Basic information
- CAS
28188-24-1- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC- InChIKey
FWCDLNRNBHJDQB-UHFFFAOYSA-N- Molecular formula
- C59H114O7
- Average molar mass
- 935.5 g/mol
- Monoisotopic mass
- 934.85645597
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-2-(((1-oxooctadecyl)oxy)methyl)propane-1,3-diyl distearate
- IUPAC
- [2-(hydroxymethyl)-3-octadecanoyloxy-2-(octadecanoyloxymethyl)propyl] octadecanoate
- English name
- 2-(hydroxymethyl)-2-[[(1-oxooctadecyl)oxy]methyl]propane-1,3-diyl distearate
- Molecular formula
- C59H114O7
- Molecular weight
- 935.53
Names & synonyms
2-(HYDROXYMETHYL)-2-[[(1-OXOOCTADECYL)OXY]METHYL]PROPANE-1,3-DIYL DISTEARATEOctadecanoic acid, 2-(hydroxymethyl)-2-(((1-oxooctadecyl)oxy)methyl)-1,3-propanediyl esterOctadecanoic acid, 1,1'-[2-(hydroxymethyl)-2-[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl] esterOctadecanoic acid, 1,1'-(2-(hydroxymethyl)-2-(((1-oxooctadecyl)oxy)methyl)-1,3-propanediyl) ester2-(Hydroxymethyl)-2-(((1-oxooctadecyl)oxy)methyl)propane-1,3-diyl distearateOctadecanoic acid, 2-(hydroxymethyl)-2-[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl esterRefChem:461052Octadecanoic acid, 2-(hydroxymethyl)-2-(1-oxooctadecyl)oxymethyl-1,3-propanediyl esterPentaerythritol tristearate28188-24-1Pentaerythrityl tristearateL0001TQY25
Show more names
PETS-3Pentaerythritol trioctadecanoatePentaerythritol stearic acid triesterOCTADECANOIC ACID, 2-(HYDROXYMETHYL)-2-\\(1-OXO*2,2-Bis[(octadecanoyloxy)methyl]-1,3-propanediol 1-octadecanoate
Properties
Computed structural properties
- XLogP
- 24.6
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 58
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 893
Experimental & physicochemical properties
Physical DescriptionLarge Crystals
Physicochemical properties
- Boiling point
- 859.3 · 859.3±60.0 °C(Predicted)
- Density
- 0.925 · 0.925±0.06 g/cm3(Predicted)
- pka
- 13.68 · 13.68±0.10(Predicted)
- FDA UNII
- 1 TQY25 · L0001TQY25
- EPA Substance Registry System
- Pentaerythritol tristearate (28188-24-1)
- 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 100% (39 of 39) of all reports.
Not Classified
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Octadecanoic acid, 2-(hydroxymethyl)-2-[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl ester
Octadecanoic acid, 1,1'-[2-(hydroxymethyl)-2-[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl] ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecanoic acid, 1,1'-[2-(hydroxymethyl)-2-[[(1-oxooctadecyl)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)
Octadecanoic acid, 2-(hydroxymethyl)-2-(1-oxooctadecyl)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.
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesFlow promoter
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Octadecanoic acid, 1,1'-[2-(hydroxymethyl)-2-[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl] ester: ACTIVE
Suppliers10 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
荆州市尹杰化工有限公司18008658728 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
嘉兴中诚环保科技股份有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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