| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 10 | Yes |
Popular Name: o-Toluic acid o-Toluic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 118-90-1 , 207742-73-2
118-90-1; 2-Methylbenzoic acid; C07215; o-Methylbenzoate; o-Toluate; o-Toluic Acid
2-(Difluoromethoxy)Benzoic Acid [97914-59-5]
2-(Difluoromethylthio)Benzoic Acid [79676-56-5]
2-methylbenzoate; 2-toluate; CPD-10574; o-methylbenzoate; o-toluate
| 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) | 1.91 | 5.69 | -50.35 | 0 | 2 | -1 | 40 | 135.142 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 103 - 105 | Acros Organics |
| Melting_Point | 103-106? | Alfa-Aesar |
| Melting_Point | 103-106° | Alfa-Aesar |
| MP | 104 | TCI |
| BP [°C] | 258 - 259 | Acros Organics |
| Boiling_Point | 258-259? | Alfa-Aesar |
| Boiling_Point | 258-259° | Alfa-Aesar |
| BP | 259 | TCI |
| Purity | 95% | Fluorochem |
| Purity | 97% | Fluorochem |
| UniProt Database Links | ANDAC_BURCE; ANDAD_BURCE | ChEBI |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H319: Causes serious eye irritation; H315: Causes skin irritation; H302: Harmful if swallowed | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
