1-O-(3-ethylpentyl) 2-O-(2-propyloctyl) benzene-1,2-dicarboxylate
Basic information
- CAS
111381-90-9- Standard SMILES
CCCCCCC(CCC)COC(=O)c1ccccc1C(=O)OCCC(CC)CC- InChIKey
QFURVPJPHJDUSQ-UHFFFAOYSA-L- Molecular formula
- C26H42O4
- Average molar mass
- 418.6 g/mol
- Monoisotopic mass
- 418.30830982
Names & identifiers
- Preferred name
- 1-O-(3-ethylpentyl) 2-O-(2-propyloctyl) benzene-1,2-dicarboxylate
- IUPAC
- 1-O-(3-ethylpentyl) 2-O-(2-propyloctyl) benzene-1,2-dicarboxylate
- English name
- 1,2-Benzenedicarboxylic acid, heptyl undecyl ester, branched and linear
- Molecular weight
- 0
Names & synonyms
1-O-(3-ethylpentyl) 2-O-(2-propyloctyl) benzene-1,2-dicarboxylateGWGJJINTDSPRJM-UHFFFAOYSA-NDI(HEPTYL-UNDECYL)PHTHALATEBranched and linear heptyl undecyl phthalateheptyl undecyl phthalate, branched and linear1,2-Benzenedicarboxylic acid, heptyl undecyl ester1,2-Benzenedicarboxylic acid, C7-11-branched and linear dialkyl ester1,2-Benzenedicarboxylic acid, heptyl undecyl ester, branched and linear1,2-Benzenedicarboxylic acid, 1-heptyl 2-undecyl ester, branched and linear
Database identifiers
- CAS
111381-90-9- PubChem CID
- 86118
Properties
Computed structural properties
- XLogP
- 8.7
- 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
Physicochemical properties
- FDA UNII
- 5 U9DD5LS4K · 5U9DD5LS4K
- EPA Substance Registry System
- Branched and linear heptyl undecyl phthalate (111381-90-9)
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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