3-Methylsalicylic acid
216
Reference
3-Methylsalicylic acid Structure
Systematic / IUPAC Name: 2-Hydroxy-3-methylbenzoic acid
ID: Reference216
Other Names:
Hydroxytoluic acid;
2-Hydroxy-m-toluic acid;
Benzoic acid, 2-hydroxy-3-methyl-;
3-Methyl-2-hydroxybenzoic acid;
2-Hydroxy-m-toluate
; more
Formula: C8H8O3
Spectral Data
3-Methylsalicylic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Elite; Q Exactive Orbitrap |
| No. of Spectral Trees | 3 |
| No. of Spectra | 340 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 10/10/2016 1:12:20 PM |
Identificators
| InChI | InChI=1S/C8H8O3/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4,9H,1H3,(H,10,11) |
| InChI Key | WHSXTWFYRGOBGO-UHFFFAOYSA-N |
| Canonical SMILES | O=C(O)c1cccc(c1O)C |
| CAS | 83409 |
| Splash | |
| Other Names |
Hydroxytoluic acid; 2-Hydroxy-m-toluic acid; Benzoic acid, 2-hydroxy-3-methyl-; 3-Methyl-2-hydroxybenzoic acid; 2-Hydroxy-m-toluate; 3-Methyl-2-hydroxybenzoate; 2-Hydroxy-3-methyl-benzoate; o-Cresotic acid; o-Cresotinic acid; 2,3-Cresotic acid; Homosalicylic acid; 3-Cresotinic acid; β-Cresotinic acid; β-Cresotinate; 3-Cresotinate; 2,3-Cresotinate; 2,3-Cresotate |
In Other Databases
| PubChem | 6738 |
| ChemIDPlus | 000083409; 032768200; 094825602 |
| ChemSpider | 6482 |
| KEGG | C14088 |
| ChEMBL | CHEMBL448399 |
| ChEBI | CHEBI:20141 |
| HMDb | HMDB02390 |