1,2-Benzenedicarboxylic acid, 1-isodecyl 2-tridecyl ester
Basic information
- CAS
61886-60-0- Standard SMILES
CCCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C- InChIKey
TYLLMRSWXAGLFH-UHFFFAOYSA-N- Molecular formula
- C31H52O4
- Average molar mass
- 488.7 g/mol
- Monoisotopic mass
- 488.38656014
Names & identifiers
- Preferred name
- 1,2-Benzenedicarboxylic acid, 1-isodecyl 2-tridecyl ester
- IUPAC
- 2-O-(8-methylnonyl) 1-O-tridecyl benzene-1,2-dicarboxylate
- English name
- tridecyl isodecyl phthalate
- Molecular formula
- C31H52O4
- Molecular weight
- 488.74218
Names & synonyms
Isodecyl tridecyl phthalate61886-60-0EINECS 263-297-8DTXSID70695221,2-Benzenedicarboxylic acid, isodecyl tridecyl ester1,2-Benzenedicarboxylic acid, 1-isodecyl 2-tridecyl esterRefChem:71624DTXCID2043163Tridecyl isodecyl phthalate8-methylnonyl tridecyl benzene-1,2-dicarboxylateSCHEMBL2973660TYLLMRSWXAGLFH-UHFFFAOYSA-N
Show more names
NS00034830
Database identifiers
- CAS
61886-60-0、68648-95-3- PubChem CID
- 112770
- DTXSID
DTXSID7069522- EC Number
- 263-297-8
Properties
Computed structural properties
- XLogP
- 12.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 24
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 516
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- EPA Substance Registry System
- Isodecyl tridecyl phthalate (61886-60-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Benzenedicarboxylic acid, 1-isodecyl 2-tridecyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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