| Canonical Smiles | CC1=CC(=C(C=C1)OC)C=O |
|---|---|
| IUPAC Name | 2-methoxy-5-methylbenzaldehyde |
| InChIKey | CJVIGQCGJUDKOE-UHFFFAOYSA-N |
| INCHI | 1S/C9H10O2/c1-7-3-4-9(11-2)8(5-7)6-10/h3-6H,1-2H3 |
| Isomeric SMILES | CC1=CC(=C(C=C1)OC)C=O |
| PubChem CID | 591398 |
| Molecular Weight | 150.18 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoyl derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoyl derivatives |
| Alternative Parents | Phenoxy compounds Methoxybenzenes Benzaldehydes Anisoles Toluenes Alkyl aryl ethers Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Anisole - Benzaldehyde - Benzoyl - Phenol ether - Methoxybenzene - Phenoxy compound - Toluene - Aryl-aldehyde - Alkyl aryl ether - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aldehyde - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 A2607460 | Certificate of Analysis | Nov 15, 2025 | M698265 |
| A2607461 | Certificate of Analysis | Nov 15, 2025 | M698265 |
| A2607462 | Certificate of Analysis | Nov 15, 2025 | M698265 |
| A2607463 | Certificate of Analysis | Nov 15, 2025 | M698265 |
| Sensitivity | Air sensitive |
|---|---|
| Boil Point(°C) | 82/1mm |
| Molecular Weight | 150.170 g/mol |
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 150.068 Da |
| Monoisotopic Mass | 150.068 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 134.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
