Basic information
- CAS
68479-72-1- Standard SMILES
CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCC- InChIKey
AMVDHHPLWPTQMD-UHFFFAOYSA-N- Molecular formula
- C41H76O8
- Average molar mass
- 697 g/mol
- Monoisotopic mass
- 696.55401938
Names & identifiers
- Preferred name
- Decanoic acid, 1,1'-[2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester
- IUPAC
- [2-(decanoyloxymethyl)-3-octanoyloxy-2-(octanoyloxymethyl)propyl] decanoate
- English name
- 2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl didecanoate
- Molecular formula
- C41H76O8
- Molecular weight
- 697.04
Names & synonyms
Pentaerythritol dioctanoate didecanoatePentaerythritol, dicaprylate, dicaprateEINECS 270-866-4Decanoic acid, 2,2-bis(((1-oxooctyl)oxy)methyl)-1,3-propanediyl esterDecanoic acid, 1,1'-(2,2-bis(((1-oxooctyl)oxy)methyl)-1,3-propanediyl) esterDecanoic acid, 1,1'-[2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] esterRefChem:58546968479-72-12,2-bis[(octanoyloxy)methyl]propane-1,3-diyl didecanoate2,2-Bis((octanoyloxy)methyl)propane-1,3-diyl bis(decanoate)2,2-BIS[[(1-OXOOCTYL)OXY]METHYL]-1,3-PROPANEDIYL DIDECANOATE2,2-Bis(((1-oxooctyl)oxy)methyl)-1,3-propanediyl didecanoate
Show more names
Pentaerythrityl didecanoate/dioctanoate2,2-Bis[[(1-oxooctyl)oxy]methyl]-1,3-propandiyldidecanoatBisdecanoic acid 2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl ester
GKA56H7EXKDTXSID50867640AMVDHHPLWPTQMD-UHFFFAOYSA-Npentaerythritol didecanoate dioctanoate[2-(decanoyloxymethyl)-3-octanoyloxy-2-(octanoyloxymethyl)propyl] decanoateNS000613951,1'-[2,2-Bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] didecanoate1,1a(2)-[2,2-Bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] didecanoate
Properties
Computed structural properties
- XLogP
- 14
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 40
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 745
Physicochemical properties
- EPA Substance Registry System
- Pentaerythritol dioctanoate didecanoate (68479-72-1)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDecanoic acid, 1,1'-[2,2-bis[[(1-oxooctyl)oxy]methyl]-1,3-propanediyl] ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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