1-O-(3-ethylpentyl) 2-O-(2-propylhexyl) benzene-1,2-dicarboxylate
Basic information
- CAS
111381-89-6- Standard SMILES
CCCCC(CCC)COC(=O)c1ccccc1C(=O)OCCC(CC)CC- InChIKey
SOONNKHXNUDREF-UHFFFAOYSA-N- Molecular formula
- C24H38O4
- Average molar mass
- 390.6 g/mol
- Monoisotopic mass
- 390.27700969
Names & identifiers
- Preferred name
- 1-O-(3-ethylpentyl) 2-O-(2-propylhexyl) benzene-1,2-dicarboxylate
- IUPAC
- 1-O-(3-ethylpentyl) 2-O-(2-propylhexyl) benzene-1,2-dicarboxylate
- English name
- 1,2-Benzenedicarboxylic acid, heptyl nonyl ester, branched and linear
- Molecular weight
- 0
Names & synonyms
1-O-(3-ethylpentyl) 2-O-(2-propylhexyl) benzene-1,2-dicarboxylateZEJZEEQJSOINEV-UHFFFAOYSA-NDI(HEPTYL,NONYL)PHTHALATEBranched and linear heptyl nonyl phthalateheptyl nonyl phthalate, branched and linear1,2-Benzenedicarboxylic acid, heptyl nonyl esterHEPTYL NONYL 1,2-BENZENEDICARBOXYLATE, BRANCHED AND LINEAR)1,2-Benzenedicarboxylic acid, heptyl nonyl ester, branched and linea1,2-Benzenedicarboxylic acid, C7,C9-branched and linear dialkyl ester1,2-Benzenedicarboxylic acid, heptyl nonyl ester, branched and linear
Database identifiers
- CAS
111381-89-6- PubChem CID
- 86117
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 430
Physicochemical properties
- EPA Substance Registry System
- Branched and linear heptyl nonyl phthalate (111381-89-6)
- 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
Suppliers
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Related reactions
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Compound notes
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