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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!
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Bulk Quote| IUPAC name | 2-hydroxybenzaldehyde |
| canonical smiles | C1=CC=C(C(=C1)C=O)O |
| inchi | InChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H |
| inchi key | SMQUZDBALVYZAC-UHFFFAOYSA-N |
| molecular formula | C7H6O2 |
| synonyms | |
| Compound Description |
| Molecular Weight: | 122.12 g/mol |
| XLogP3: | 1.8 |
| Hydrogen Bond Donor Count: | 1 |
| Hydrogen Bond Acceptor Count: | 2 |
| Rotatable Bond Count: | 1 |
| Exact Mass: | 122.036779430 g/mol |
| Monoisotopic Mass: | 122.036779430 g/mol |
| Topological Polar Surface Area: | 37.3 Ų |
| Heavy Atom Count: | 9 |
| Formal Charge: | 0 |
| Complexity: | 101 |
| Isotope Atom Count: | 0 |
| Defined Atom Stereocenter Count: | 0 |
| Undefined Atom Stereocenter Count: | 0 |
| Defined Bond Stereocenter Count: | 0 |
| Undefined Bond Stereocenter Count: | 0 |
| Covalently-Bonded Unit Count: | 1 |
| Compound Is Canonicalized: | Yes |
| Related Compounds |
| hazard signal | Warning |
| hazard classes and categories | |
| precautionary statement codes | P203, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P317, P318, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 |
| hazard statements | |
| hazards summary | A skin and eye irritant. A skin irritant. Included in list of established contact allergens in humans. An irritant. Can be absorbed through skin. |
| toxicity summary | IDENTIFICATION AND USE: Salicylaldehyde is a liquid. It is used in analytical chemistry, perfumery , synthesis of coumarin, as an auxiliary fumigant, and flavoring. HUMAN STUDIES: An elk researcher who had handled leaves from various trees presented with eczema of the hands, face, flexures, trunk and extremities. Patch testing showed sensitivity to salicyl alcohol, salicylaldehyde, balsam of Peru , aspen wood dust and an extract prepared from the bark of aspen . Besides salicyl alcohol, salicylaldehyde is also recommended to be used to screen for contact allergy to aspen. Both of these chemicals should be tested in forest workers in areas where aspen is growing. ANIMAL STUDIES: Salicylaldehyde fed to male rats for 10 days or more caused an increase in the number and size of hepatic and renal microbodies and caused fibrillar material to appear. The drug did not cause fibrillar material to appear in hepatic microbodies of mice or microbodies of transplantable rat hepatomas. Salicylaldehyde evoked a hypocalcemia in rats and mice. Salicylaldehyde and its acetyl derivatives are all less potent analgesics and antinflammatory agents in rodents than salicylic acid and aspirin. |
| symptoms | |
| carcinogen classification | default_key: No indication of carcinogenicity to humans . |
