Trimethyladipic acid
2,2,3-trimethylhexanedioic acid
Also Known As: Trimethyladipic acid|Trimethylhexanedioic acid|Hexanedioic acid, trimethyl-|2,2,3-trimethyl-adipic acid|2,2,3-trimethylhexanedioic acid
CAS: 697798-96-2
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10486 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 188.10486 |
| Monoisotopic Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 697798-96-2 |
|---|---|
| SMILES | CC(CCC(=O)O)C(C)(C)C(=O)O |
| InChIKey | GBURUDXSBYGPBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (19 patents)
Biotechnology (1 patents)
Catalysts (5 patents)
Coatings & Adhesives (158 patents)
Dyes & Pigments (1 patents)
Electronic Chemicals (58 patents)
Heterocyclic Building Blocks (31 patents)
Lubricants & Additives (73 patents)
Organic Building Blocks (106 patents)
Organometallic Reagents (9 patents)
Paper Chemicals (42 patents)
Pharmaceutical Intermediates (147 patents)
Photographic Chemicals (27 patents)
Plastic Additives (211 patents)
Polymer Intermediates (1055 patents)
Specialty Chemicals (14 patents)
Surfactants & Detergents (30 patents)
Textile Chemicals (29 patents)
Product Overview
Trimethyladipic acid (CAS 697798-96-2), with molecular formula C9H16O4 and molecular weight 188.10486 g/mol. IUPAC: 2,2,3-trimethylhexanedioic 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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