Decyl isononyl phthalate
Basic information
- CAS
96507-83-4- Standard SMILES
CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C- InChIKey
YZHDZDITQRCTQB-UHFFFAOYSA-N- Molecular formula
- C27H44O4
- Average molar mass
- 432.6 g/mol
- Monoisotopic mass
- 432.32395988
Names & identifiers
- Preferred name
- Decyl isononyl phthalate
- IUPAC
- 1-O-decyl 2-O-(7-methyloctyl) benzene-1,2-dicarboxylate
- English name
- decyl isononyl phthalate
- Molecular formula
- C27H44O4
- Molecular weight
- 432.63586
Names & synonyms
Decyl isononyl phthalate96507-83-4EINECS 306-162-1DTXSID10242292RefChem:131368DTXCID10164783306-162-13P3T9W7A5FYZHDZDITQRCTQB-UHFFFAOYSA-NNS00040488Decyl 7-methyloctyl benzene-1,2-dicarboxylate1,2-Benzenedicarboxylic acid, decyl isononyl ester
Show more names
1-O-decyl 2-O-(7-methyloctyl) benzene-1,2-dicarboxylate
Decyl isononyl phthalate, EINECS 306-162-1, 96507-83-4
Database identifiers
- CAS
96507-83-4- PubChem CID
- 44147487
- DTXSID
DTXSID10242292- UNII
- 3P3T9W7A5F
- EC Number
- 306-162-1
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 20
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 460
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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