Basic information
- CAS
23336-49-4- Standard SMILES
CCCCCCC(=O)OCC(C)(COC(=O)CCCCCC)COC(=O)CCCCCC- InChIKey
ZMAZJSDJZUMVHX-UHFFFAOYSA-N- Molecular formula
- C26H48O6
- Average molar mass
- 456.7 g/mol
- Monoisotopic mass
- 456.34508925
Names & identifiers
- Preferred name
- Heptanoic acid, 1,1'-[2-methyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] ester
- IUPAC
- [3-heptanoyloxy-2-(heptanoyloxymethyl)-2-methylpropyl] heptanoate
- English name
- Ethylidynetris(methanol heptanoate)
- Molecular formula
- C26H48O6
- Molecular weight
- 456.66
Names & synonyms
Trimethylolethane triheptanoate23336-49-4Heptanoic acid, 2-methyl-2-(((1-oxoheptyl)oxy)methyl)-1,3-propanediyl esterHeptanoic acid, 1,1'-(2-methyl-2-(((1-oxoheptyl)oxy)methyl)-1,3-propanediyl) esterHeptanoic acid, 1,1'-[2-methyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] esterRefChem:1456672-((Heptanoyloxy)methyl)-2-methylpropane-1,3-diyl diheptanoate2-[(Heptanoyloxy)methyl]-2-methylpropane-1,3-diyl diheptanoateDTXSID10946001ZMAZJSDJZUMVHX-UHFFFAOYSA-NTrimethylolethane trienanthateEthylidynetris(methanol heptanoate)
Show more names
2-[(Heptanoyloxy)methyl]-2-methyl-1,3-propanediol diheptanoateDiheptanoic acid 2-[(heptanoyloxy)methyl]-2-methyl-1,3-propanediyl ester
Database identifiers
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 24
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 433
Physicochemical properties
- EPA Substance Registry System
- Trimethylolethane triheptanoate (23336-49-4)
- 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 InformationHeptanoic acid, 1,1'-[2-methyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl] ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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