| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 13 | No |
Popular Name: Ethyl p-toluenesulfonate Ethyl p-toluenesulfonate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 67217-55-4 , 80-40-0 , [80-40-0]
ethyl 4-methylbenzene-1-sulfonate
Ethyl 4-toluenesulphonate; >99%
| 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) | 2.03 | -2.95 | -9.08 | 0 | 3 | 0 | 43 | 200.259 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 158 - 162 (p=10 torr) | Acros Organics |
| BP | 173 / 15 | TCI |
| Boiling_Point | 221? | Alfa-Aesar |
| Boiling_Point | 221° | Alfa-Aesar |
| Melting_Point | 29-34? | Alfa-Aesar |
| Melting_Point | 29-34° | Alfa-Aesar |
| MP | 31 - 33 | Enamine Building Blocks |
| MP | 31...33 | Enamine Building Blocks |
| Mp [°C] | 32 - 34 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| H phrase | H341: Suspected of causing genetic defects | Acros Organics |
| H phrase | H341: Suspected of causing genetic defects; H351: Suspected of causing cancer; H302: Harmful if swallowed; H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P260: Do not breathe dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | 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.; R40: Limited evidence of a carcinogenic effect.; R68: Possible risks of irreversible effects. | 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
