Basic information
- CAS
96507-85-6- Standard SMILES
CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C- InChIKey
VXRCCQHRKSLUGE-UHFFFAOYSA-N- Molecular formula
- C25H40O4
- Average molar mass
- 404.6 g/mol
- Monoisotopic mass
- 404.29265975
Names & identifiers
- Preferred name
- Isooctyl nonyl phthalate
- IUPAC
- 2-O-(6-methylheptyl) 1-O-nonyl benzene-1,2-dicarboxylate
- English name
- isooctyl nonyl phthalate
- Molecular formula
- C25H40O4
- Molecular weight
- 404.5827
Names & synonyms
Isooctyl nonyl phthalate96507-85-6EINECS 306-164-2DTXSID30242294RefChem:149666DTXCID30164785306-164-22-O-(6-methylheptyl) 1-O-nonyl benzene-1,2-dicarboxylateVXRCCQHRKSLUGE-UHFFFAOYSA-NNS000404906-Methylheptyl nonyl benzene-1,2-dicarboxylateIsooctyl nonyl phthalate, EINECS 306-164-2, 96507-85-6
Database identifiers
- CAS
96507-85-6- PubChem CID
- 44150511
- DTXSID
DTXSID30242294- EC Number
- 306-164-2
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 433
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…