Trimethylolpropane tricaprylate
Basic information
- CAS
4826-87-3- Standard SMILES
CCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC- InChIKey
HFWHTGSLDKKCMD-UHFFFAOYSA-N- Molecular formula
- C30H56O6
- Average molar mass
- 512.8 g/mol
- Monoisotopic mass
- 512.4076895
Names & identifiers
- Preferred name
- Trimethylolpropane tricaprylate
- IUPAC
- 2,2-bis(octanoyloxymethyl)butyl octanoate
- English name
- 2-ethyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl dioctanoate
- Molecular formula
- C30H56O6
- Molecular weight
- 512.76
Names & synonyms
Trimethylolpropane trioctanoateTrimethylolpropane tricaprylate2-ethyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl dioctanoate12SZ34PNBODTXSID201014644TRIMETHYLOPROPANE TRIOCTANOATE2-Ethyl-2-(((1-oxooctyl)oxy)methyl)-1,3-propanediyl dioctanoate1,1,1-TRIMETHYLOLPROPANE TRICAPRYLATEOctanoic acid, 2-ethyl-2-(((1-oxooctyl)oxy)methyl)-1,3-propanediyl esterOctanoic acid, 1,1'-(2-ethyl-2-(((1-oxooctyl)oxy)methyl)-1,3-propanediyl) esterOctanoic acid, 1,1'-[2-ethyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester1,3-PROPANEDIOL, 2-ETHYL-2-(HYDROXYMETHYL)-, TRIOCTANOATE
Show more names
Glytex(R) 213TRIMETHYLOLPROPANETRIOCTANOATETrimethylolpropaneTri(2-Ethylhexanoate)Trimethylol Propane Tri Caprate / CaprylateDioctanoic acid 2-ethyl-2-[(octanoyloxy)methyl]-1,3-propanediyl ester
Octanoic acid, 2-ethyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl esterRefChem:899866DTXCID401437185Octanoic acid, 2-ethyl-2-(1-oxooctyl)oxymethyl-1,3-propanediyl ester4826-87-32,2-bis(octanoyloxymethyl)butyl octanoate2,2-BIS[(OCTANOYLOXY)METHYL]BUTYL OCTANOATEOctanoic acid, triester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol
Database identifiers
- CAS
4826-87-3- PubChem CID
- 78541
- DTXSID
DTXSID201014644- UNII
- 12SZ34PNBO
- EC Number
- 225-404-6
- Nikkaji
- J114.965B
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 28
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 486
Experimental & physicochemical properties
CosmeticsEmollient; Skin conditioning
Physicochemical properties
- Boiling point
- 564.9 · 564.9±30.0 °C(Predicted)
- Density
- 0.959 · 0.959±0.06 g/cm3(Predicted)
- InChI
- InChI=1S/C30H56O6/c1-5-9-12-15-18-21-27(31)34-24-30(8-4,25-35-28(32)22-19-16-13-10-6-2)26-36-29(33)23-20-17-14-11-7-3/h5-26H2,1-4H3
- InChIKey
- HFWHTGSLDKKCMD-UHFFFAOYSA-N
- SMILES
- C(OC(=O)CCCCCCC)C(CC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC
- FDA UNII
- 12 SZ34PNBO · 12SZ34PNBO
- EPA Substance Registry System
- Trimethylolpropane trioctanoate (4826-87-3)
- 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% (10 of 10) of all reports.
Not Classified
Aggregated GHS information provided per 10 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Octanoic acid, 2-ethyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl ester
Octanoic acid, 2-ethyl-2-(1-oxooctyl)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
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Emollient; Skin conditioning
General Manufacturing InformationOctanoic acid, 1,1'-[2-ethyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester: ACTIVE
Applications
Uses2-ethyl-2-[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl dioctanoate is a low viscosity polyol ester suggested for use as a synthetic fiber processing lubricant. It is suitable for high temperature processing. Applications: low to moderate denier polyester and nylon filament and staple yarn applications. Product Data Sheet
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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