| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 10 | Yes |
Popular Name: Methyl benzoate Methyl benzoate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 12125-87-0 , 93-58-3
(Methyl benzoate)chromium tricarbonyl
(Methyl benzoate)tricarbonylchromium
(Methyl benzoate)tricarbonylchromium, 98%
Benzoic acid, methyl ester; Methyl benzenecarboxylate; methyl benzoate
| 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) | 2.11 | 5.13 | -6.01 | 0 | 2 | 0 | 26 | 136.15 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 12 | Acros Organics |
| Melting_Point | 12? | Alfa-Aesar |
| Melting_Point | 12° | Alfa-Aesar |
| BP [°C] | 198 - 199 | Acros Organics |
| BP | 198-199° | Oakwood Chemical |
| Boiling_Point | 198-200? | Alfa-Aesar |
| Boiling_Point | 198-200° | Alfa-Aesar |
| Purity | 95% | Fluorochem |
| Melting_Point | 95-96? | Alfa-Aesar |
| Melting_Point | 95-96° | Alfa-Aesar |
| UniProt Database Links | AAMT3_MAIZE; AHK4_ARATH; OMT8_MAIZE | ChEBI |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
