Basic information
- CAS
20198-64-5- Standard SMILES
O=C(OCCCc1ccccc1)c1ccccc1C(=O)OCCCc1ccccc1- InChIKey
YCPGFFUNLDSSRX-UHFFFAOYSA-N- Molecular formula
- C26H26O4
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.18310931
Names & identifiers
- Preferred name
- Bis(3-phenylpropyl) phthalate
- IUPAC
- bis(3-phenylpropyl) benzene-1,2-dicarboxylate
- English name
- bis(3-phenylpropyl) phthalate
- Molecular formula
- C26H26O4
- Molecular weight
- 402.48
Names & synonyms
Bis(3-phenylpropyl) phthalateJM28GF4HC7EINECS 243-583-9Phthalic acid, bis(3-phenylpropyl) esterBis-(3-phenylpropyl)phthalateDTXSID20174035BIS(3-PHENYLPROPYL)BENZENE-1,2-DICARBOXYLATE1,2-BENZENEDICARBOXYLIC ACID, 1,2-BIS(3-PHENYLPROPYL) ESTERRefChem:120125DTXCID4096526243-583-920198-64-5
Show more names
Phthalic acid bis(3-phenylpropyl) ester
UNII-JM28GF4HC7bis(3-phenylpropyl) benzene-1,2-dicarboxylateSCHEMBL20357951NS00026546
Database identifiers
- CAS
20198-64-5- PubChem CID
- 88403
- DTXSID
DTXSID20174035- UNII
- JM28GF4HC7
- EC Number
- 243-583-9
- Nikkaji
- J280.475A
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 459
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 28 GF4HC7 · JM28GF4HC7
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…