1,2-Benzenedicarboxylic acid, mono(1-ethylbutyl) ester
2-hexan-3-yloxycarbonylbenzoic acid
Also Known As: 2-hexan-3-yloxycarbonylbenzoic acid|mono(1-Ethylbutyl) Phthalate|1,2-Benzenedicarboxylic acid, mono(1-ethylbutyl) ester|2-((hexan-3-yloxy)carbonyl)benzoic acid|2-{[(Hexan-3-yl)oxy]carbonyl}benzoic acid|phthalic acid mono-((S)-1-ethyl-butyl ester)
CAS: 84489-34-9
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12051 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 250.12051 |
| Monoisotopic Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 84489-34-9 |
|---|---|
| SMILES | CCCC(CC)OC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | ABYCGAKJMGFSPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Catalysts (37 patents)
Coatings & Adhesives (3 patents)
Heterocyclic Building Blocks (1 patents)
Organic Building Blocks (4 patents)
Organometallic Reagents (4 patents)
Plastic Additives (28 patents)
Polymer Intermediates (332 patents)
Specialty Chemicals (2 patents)
Textile Chemicals (2 patents)
Product Overview
1,2-Benzenedicarboxylic acid, mono(1-ethylbutyl) ester (CAS 84489-34-9), with molecular formula C14H18O4 and molecular weight 250.12051 g/mol. IUPAC: 2-hexan-3-yloxycarbonylbenzoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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