2,6,6-Trimethyloxane-2-carboxylic acid
2,6,6-trimethyloxane-2-carboxylic acid
Also Known As: r-Cinenic acid|2,6,6-trimethyloxane-2-carboxylic acid|2,6,6-trimethyltetrahydro-2h-pyran-2-carboxylic acid|2H-Pyran-2-carboxylic acid, tetrahydro-2,6,6-trimethyl-|tetrahydro-2,6,6-trimethyl-2H-pyran-2-carboxylic acid
CAS: 4787-98-8
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.10994 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.10994 |
| Monoisotopic Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 4787-98-8 |
|---|---|
| SMILES | CC1(CCCC(O1)(C)C(=O)O)C |
| InChIKey | JPFVEUNQMVVIDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (4 patents)
Pharmaceutical Intermediates (2 patents)
Product Overview
2,6,6-Trimethyloxane-2-carboxylic acid (CAS 4787-98-8), with molecular formula C9H16O3 and molecular weight 172.10994 g/mol. IUPAC: 2,6,6-trimethyloxane-2-carboxylic 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 →
2,6,6-Trimethyloxane-2-carboxylic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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