4-Methyloctyl nonyl phthalate
Basic information
- CAS
85391-53-3- Standard SMILES
CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCC(C)CCCC- InChIKey
ASCIIAYCECQQJU-UHFFFAOYSA-N- Molecular formula
- C26H42O4
- Average molar mass
- 418.6 g/mol
- Monoisotopic mass
- 418.30830982
Names & identifiers
- Preferred name
- 4-Methyloctyl nonyl phthalate
- IUPAC
- 2-O-(4-methyloctyl) 1-O-nonyl benzene-1,2-dicarboxylate
- English name
- 4-methyloctyl nonyl phthalate
- Molecular formula
- C26H42O4
- Molecular weight
- 418.60928
Names & synonyms
4-Methyloctyl nonyl phthalate85391-53-3EINECS 286-808-6ASCIIAYCECQQJU-UHFFFAOYSA-NDTXSID001005869NS000634634-Methyloctyl nonyl benzene-1,2-dicarboxylate4-Methyloctylnonylphthalat1,2-Benzenedicarboxylic acid 1-(4-methyloctyl)2-nonyl ester
Database identifiers
- CAS
85391-53-3- PubChem CID
- 3020643
- DTXSID
DTXSID001005869- EC Number
- 286-808-6
- Nikkaji
- J310.358G
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
- 448
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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