| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 12th, 2006 | 6 | No |
Popular Name: methyl sulfate methyl sulfate
75-93-4; C02704; Methyl sulfate; Monomethyl sulfate
75-93-4; CPD-545; Methyl sulfate; monomethyl sulfate
CHEBI:6982; CHEBI:14615; CHEBI:25259
methyl sulfate anion; monomethyl sulfate
| 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) | -2.65 | -6.61 | -39.74 | 0 | 4 | -1 | 66 | 111.098 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 212 - 217 | Acros Organics |
| Mp [°C] | 92 - 94 | Acros Organics |
| Patent Database Links | EP1415993; US2002100127; US2002172651; US2004167343; US2004204583; US2005235433; US2007248551; US2007270394; WO2005087742; WO2008109156 | ChEBI |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| H phrase | H350: May cause cancer | Acros Organics |
| H phrase | H350: May cause cancer; H332: Harmful if inhaled; H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation; H302: Harmful if swallowed | Acros Organics |
| P phrase | P201: Obtain special instructions before use | Acros Organics |
| P phrase | P201: Obtain special instructions before use; P308 + P313: IF exposed or concerned: Get medical advice/attention; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | 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; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| R phrase | R45: May cause cancer. | Acros Organics |
| R phrase | R45: May cause cancer.; R20/22: Harmful by inhalation and 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 |
| S phrase | S53: Avoid exposure - obtain special instructions before use. | Acros Organics |
| S phrase | S53: Avoid exposure - obtain special instructions before use.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.