| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 8 | Yes |
Popular Name: Benzyl alcohol Benzyl alcohol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 100-49-2 , 100-51-6 , 13057-53-9 , 20194-18-7 , 30584-69-1 , [100-51-6]
100-51-6; Benzyl alcohol (JP16/NF/INN); D00077; Ulesfia (TN)
Aromatic alcohol; Aromatic primary alcohol; C03485
Benzyl alcohol on polystyrene, 3.5 mmol/g
Benzyl alcohol, 98+%, Extra Dry, AcroSeal®
Benzyl alcohol, specified according to requirements of Ph.Eur.
CHEBI:22742; CHEBI:3053; CHEBI:13888
Sodium benzyloxide, 1M solution in benzyl alcohol, AcroSeal®
| 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) | 1.27 | 1.82 | -4.35 | 1 | 1 | 0 | 20 | 108.14 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 15 | Acros Organics |
| Melting_Point | 15? | Alfa-Aesar |
| Melting_Point | 15° | Alfa-Aesar |
| ALOGPS_SOLUBILITY | 2.68e+01 g/l | DrugBank-approved |
| BP | 200 | TCI |
| BP [°C] | 203 - 205 | Acros Organics |
| BP [°C] | 205 | Acros Organics |
| Boiling_Point | 205? | Alfa-Aesar |
| Boiling_Point | 205° | Alfa-Aesar |
| UniProt Database Links | ACMAT_VITLA; ADHN_RHOER; APO1_AGRAE; APO1_COPRA; CAR_NOCIO; GEOA_CASDE; HMNGT_SORBI; OR43A_DROME | ChEBI |
| therap | antimicrobial | MicroSource World Drugs |
| Therapy | antimicrobial, antipruritic | SMDC Iconix |
| Hazard | C: Corrosive | Acros Organics |
| Patent Database Links | EP1405646; EP1498406; EP1537781; EP1659110; EP1764111; EP1774965; EP1779858; EP1797875; GB2054371; GB2358583; US2002016373; US2003013772; US2003023117; US2003144275; US2004068007; US2004151763; US2004254182; US2005008746; US2005014721; US2005085555; US200 | ChEBI |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H332: Harmful if inhaled; H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H332: Harmful if inhaled | Acros Organics |
| H phrase | H332: Harmful if inhaled; H302: Harmful if swallowed; H319: Causes serious eye 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; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physici | Acros Organics |
| P phrase | P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing | Acros Organics |
| P phrase | P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P280: Wear protective gloves/protective clothing/eye protection/face protection; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vom | Acros Organics |
| R phrase | R20/22: Harmful by inhalation and if swallowed. | Acros Organics |
| R phrase | R20/22: Harmful by inhalation and if swallowed.; R34: Causes burns. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | 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.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
