Decyl isooctyl phthalate
Basic information
- CAS
53363-96-5- Standard SMILES
CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C- InChIKey
GMPAVBYNZCOKOX-UHFFFAOYSA-N- Molecular formula
- C26H42O4
- Average molar mass
- 418.6 g/mol
- Monoisotopic mass
- 418.30830982
Names & identifiers
- Preferred name
- Decyl isooctyl phthalate
- IUPAC
- 1-O-decyl 2-O-(6-methylheptyl) benzene-1,2-dicarboxylate
- English name
- decyl isooctyl phthalate
- Molecular formula
- C26H42O4
- Molecular weight
- 418.60928
Names & synonyms
Decyl isooctyl phthalate53363-96-5EINECS 258-498-2DTXSID30201528RefChem:131369DTXCID60124019258-498-2Isooctyl decyl phthalatedecyl 6-methylheptyl benzene-1,2-dicarboxylateSCHEMBL9359589GMPAVBYNZCOKOX-UHFFFAOYSA-NNS00032731
Database identifiers
- CAS
53363-96-5- PubChem CID
- 104473
- DTXSID
DTXSID30201528- EC Number
- 258-498-2
Properties
Computed structural properties
- XLogP
- 9.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 446
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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