Basic information
- CAS
119-05-1- Standard SMILES
CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC(C)C- InChIKey
DISOBDRLYQMQDY-UHFFFAOYSA-N- Molecular formula
- C26H42O4
- Average molar mass
- 418.6 g/mol
- Monoisotopic mass
- 418.30830982
Names & identifiers
- Preferred name
- Isodecyl isooctyl phthalate
- IUPAC
- 2-O-(6-methylheptyl) 1-O-(8-methylnonyl) benzene-1,2-dicarboxylate
- English name
- isodecyl isooctyl phthalate
- Molecular formula
- C26H42O4
- Molecular weight
- 418.60928
Names & synonyms
Isodecyl isooctyl phthalateISOOCTYL ISODECYL PHTHALATE42343-35-12-O-(6-methylheptyl) 1-O-(8-methylnonyl) benzene-1,2-dicarboxylateEINECS 255-760-832XT6MMA6P1,2-Benzenedicarboxylic acid, isodecyl isooctyl esterSCHEMBL2971969DTXSID50195157NSC 6385NSC-6385NS00031158
Show more names
Nsc6385Isooctyl isodecyl phthalate SolutionIsooctyl isodecyl phthalate Solution in HexanePhthalic acid, 6-methylheptyl 8-methylnonyl ester1,2-Benzenedicarboxylic acid isodecyl isooctyl ester
1-(6-Methylheptyl) 2-(8-methylnonyl) phthalate #Q633926356-Methylheptyl 8-methylnonyl benzene-1,2-dicarboxylate1,2-Benzenedicarboxylic acid, 6-methylheptyl 8-methylnonyl ester
Database identifiers
- CAS
119-05-1、42343-35-1- PubChem CID
- 39179
- DTXSID
DTXSID50195157- UNII
- 32XT6MMA6P
- EC Number
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 458
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- FDA UNII
- 32 XT6MMA6P · 32XT6MMA6P
Chemistry & industry
Suppliers2 total
坛墨质检科技股份有限公司4008-099-669 · [email protected]
上海甄准生物科技有限公司15800340161 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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