Basic information
- CAS
126-57-8- Standard SMILES
CCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC- InChIKey
KDMAJIXYCNOVJB-UHFFFAOYSA-N- Molecular formula
- C33H62O6
- Average molar mass
- 554.8 g/mol
- Monoisotopic mass
- 554.45463969
Names & identifiers
- Preferred name
- Trimethylolpropane trinonanoate
- IUPAC
- 2,2-bis(nonanoyloxymethyl)butyl nonanoate
- English name
- CELANESE ESTER NO. 9 FOR GAS CHROMATOGR&
- Molecular formula
- C33H62O6
- Molecular weight
- 554.84
Names & synonyms
Trimethylolpropane trinonanoate126-57-8TRIMETHYLOLPROPANE TRIPELARGONATEUNII-LYU05M4EOALYU05M4EOAEINECS 204-793-6TMP TRINONANOATETMP TRIPELARGONATETMP-C 9Nonanoic acid, 1,1'-(2-ethyl-2-(((1-oxononyl)oxy)methyl)-1,3-propanediyl) esterDTXSID8027038EC 204-793-6
Show more names
Trimethylolpropanetripelargonate1,1,1-Trimethylolpropane trinonanoateCELANESE ESTER NO. 9 FOR GAS CHROMATOGR&nonanoicacid2,2-bis-(nonanoyloxymethyl)-butylester2-Ethyl-2-nonyloxymethyl-1,3-propanediol di-nonylate2-ethyl-2-(hydroxymethyl)-propane-1,3-dioltrinonanoate2-Ethyl-2-[[(1-oxononyl)oxy]methyl]propan-1,3-diyldinonan-1-oatDinonanoic acid 2-ethyl-2-[(nonanoyloxy)methyl]-1,3-propanediyl ester
Nonanoic acid, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol1,3-PROPANEDIOL, 2-ETHYL-2-(HYDROXYMETHYL)-, TRINONANOATENonanoic acid, 1,1'-[2-ethyl-2-[[(1-oxononyl)oxy]methyl]-1,3-propanediyl] esterRefChem:191799DTXCID807038204-793-62,2-bis(nonanoyloxymethyl)butyl nonanoate2-Ethyl-2-[[(1-oxononyl)oxy]methyl]propane-1,3-diyl dinonan-1-oate
Properties
Computed structural properties
- XLogP
- 11.5
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 31
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 524
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 598.4 · 598.4±30.0 °C(Predicted)
- Density
- 0.948 · 0.948[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 20℃
- Viscosity
- 46.07 mm2/s · 46.07mm2/s
- Water Solubility
- 78 ng/L · 78ng/L at 22℃
- FDA UNII
- 5 M4EOA · LYU05M4EOA
- EPA Substance Registry System
- Trimethylolpropane trinonanoate (126-57-8)
- TSCA
- TSCA listed
- REACH Registrations
- Active
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% (570 of 570) of all reports.
Not Classified
Aggregated GHS information provided per 570 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Nonanoic acid, 2-ethyl-2-[[(1-oxononyl)oxy]methyl]-1,3-propanediyl ester
Nonanoic acid, 1,1'-[2-ethyl-2-[[(1-oxononyl)oxy]methyl]-1,3-propanediyl] ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Nonanoic acid, 1,1'-[2-ethyl-2-[[(1-oxononyl)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)
REACH registered substance: 2-ethyl-2-[[(1-oxononyl)oxy]methyl]propane-1,3-diyl dinonan-1-oate (EC: 204-793-6)
Nonanoic acid, 2-ethyl-2-(1-oxononyl)oxymethyl-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
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesLubricating agent
Industry UsesLubricating agent
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Nonanoic acid, 1,1'-[2-ethyl-2-[[(1-oxononyl)oxy]methyl]-1,3-propanediyl] ester: ACTIVE
Suppliers14 total
南通合润生物科技有限公司18362409333 · [email protected]
武汉贝乐叶生物医药科技有限公司18086118076; 18086118070 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
成都康巴斯生物科技有限公司18582381569 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
武汉吉鑫益邦生物科技有限公司59768661 13297943853 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…