| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 11 | Yes |
Popular Name: 2-Hydroxy-6-methylbenzoic acid 2-Hydroxy-6-methylbenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 567-61-3 , 603-80-5 , [567-61-3]
2,6-Cresotic acid; 2-hydroxy-6-methylbenzoic acid; 6-Hydroxy-o-toluic acid
2-hydroxy-6-methyl benzoic acid
6-Methyl 2-hydroxybenzenecarboxylate; 6-methylsalicylate; CPD-637; Methylsalicylic acid
Benzoic acid, 2-hydroxy-6-methyl-
CHEBI:1165; CHEBI:2218; CHEBI:20743; CHEBI:28178; CHEBI:19649
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.85 | 1.98 | -56.13 | 1 | 3 | -1 | 60 | 151.141 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.86 | 4.6 | -92.37 | 7 | 8 | 2 | 126 | 423.496 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 170-171° | Oakwood Chemical |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| UniProt Database Links | MSAS_PENPA | ChEBI |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P340: IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing; P305 + P35 | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.