Basic information
- CAS
68957-81-3- Standard SMILES
CC(C)CCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCC(C)C- InChIKey
SBSKDQAYPPMLKA-UHFFFAOYSA-N- Molecular formula
- C69H132O8
- Average molar mass
- 1,089.8 g/mol
- Monoisotopic mass
- 1,088.99222116
Names & identifiers
- Preferred name
- Isohexadecanoic acid, 1,1'-(2,2-bis(((1-oxoisohexadecyl)oxy)methyl)-1,3-propanediyl) ester
- IUPAC
- [3-(14-methylpentadecanoyloxy)-2,2-bis(14-methylpentadecanoyloxymethyl)propyl] 14-methylpentadecanoate
- English name
- 2,2-bis[[(1-oxoisohexadecyl)oxy]methyl]-1,3-propanediyl diisohexadecanoate
- Molecular formula
- C69H132O8
- Molecular weight
- 1089.78158
Names & synonyms
Pentaerythritol tetraisopalmitate68957-81-3Isopalmitic acid, pentaerythritol tetraesterEINECS 273-366-4DTXSID50719152,2-bis[[(1-oxoisohexadecyl)oxy]methyl]-1,3-propanediyl diisohexadecanoate2,2-Bis(((1-oxoisohexadecyl)oxy)methyl)-1,3-propanediyl diisohexadecanoateIsohexadecanoic acid, 1,1'-(2,2-bis(((1-oxoisohexadecyl)oxy)methyl)-1,3-propanediyl) esterIsohexadecanoic acid, 1,1'-[2,2-bis[[(1-oxoisohexadecyl)oxy]methyl]-1,3-propanediyl] esterRefChem:149410DTXCID3046403273-366-4
Show more names
Isohexadecanoic acid, 2,2-bis(1-oxoisohexadecyl)oxymethyl-1,3-propanediyl esterBis(14-methylpentadecanoic acid)2,2-bis[[(1-oxo-14-methylpentadecyl)oxy]methyl]-1,3-propanediyl ester
SCHEMBL7937630SBSKDQAYPPMLKA-UHFFFAOYSA-NIsohexadecanoic acid, 2,2-bis(((1-oxoisohexadecyl)oxy)methyl)-1,3-propanediyl esterNS000367762,2-Bis{[(14-methylpentadecanoyl)oxy]methyl}propane-1,3-diyl bis(14-methylpentadecanoate)
Properties
Computed structural properties
- XLogP
- 28.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 64
- Heavy atoms
- 77
- Formal charge
- 0
- Complexity
- 1,110
Physicochemical properties
- EPA Substance Registry System
- Pentaerythritol tetraisopalmitate (68957-81-3)
- 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.
Hazard information
Regulatory InformationIsohexadecanoic acid, 2,2-bis(1-oxoisohexadecyl)oxymethyl-1,3-propanediyl ester: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationIsohexadecanoic acid, 1,1'-[2,2-bis[[(1-oxoisohexadecyl)oxy]methyl]-1,3-propanediyl] ester: ACTIVE
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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