| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 7 | Yes |
"Hexyl alcohol, 98% [extra pure]"
111-27-3; HEXANOL-CMPD; hexanol
| 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) | 2.13 | 1.91 | -2.37 | 1 | 1 | 0 | 20 | 102.177 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 52 | Acros Organics |
| MP | 52 - -50 | Enamine Building Blocks |
| MP | 52 - -52 | Enamine Building Blocks |
| M.P | 52 °C | Indofine |
| Melting_Point | 52? | Alfa-Aesar |
| Melting_Point | 52° | Alfa-Aesar |
| MP | 53 - -52 | Enamine Building Blocks |
| MP | 54 - -52 | Enamine Building Blocks |
| MP | 54...-52 | Enamine Building Blocks |
| BP [°C] | 156 - 157 | Acros Organics |
| BP | 157 | TCI |
| Boiling_Point | 157? | Alfa-Aesar |
| Boiling_Point | 157° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Target | Choline O-acetyltransferase(P28329) | Herbal Ingredients Targets |
| PUBCHEM_PATENT_ID | EP0468103A1; EP0468103B1 | IBM Patent Data |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H312: Harmful in contact with skin; H319: Causes serious eye irritation; H226: Flammable liquid and vapor | 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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P305 + P351 + P338: IF IN EYES: Rinse cautious | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed.; R36: Irritating to eyes. | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
