| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 13 | No |
Popular Name: 1-DODECANOL 1-DODECANOL
Find On: PubMed — Wikipedia — Google
CAS Numbers: 112-53-8 , 27342-88-7 , [112-53-8]
1-Dodecanol; 112-53-8; C02277; Dodecyl alcohol; Dodecylalcohol; Lauryl alcohol
1-Hydroxydodecane; Lauroyl alcohol; Undecyl carbinol; n-Dodecan-1-ol; n-Lauryl alcohol
| 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) | 5.16 | -0.35 | -2.25 | 1 | 1 | 0 | 20 | 186.339 | 10 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.60e-03 g/l | DrugBank-experimental |
| Mp [°C] | 22 - 27 | Acros Organics |
| Melting_Point | 24-27? | Alfa-Aesar |
| Melting_Point | 24-27° | Alfa-Aesar |
| BP [°C] | 258 - 265 | Acros Organics |
| Boiling_Point | 258-260? | Alfa-Aesar |
| Boiling_Point | 258-260° | Alfa-Aesar |
| Patent Database Links | EP0962459; EP1057822; EP1647268; EP1790335; EP1867323; GB2216124; US2002037563; US2002128521; US2003022936; US2004082042; US2004242594; US2006084154; WO2005061515; WO2005070931; WO2006050002 | ChEBI |
| UniProt Database Links | FAO1_LOTJA; FAO3_ARATH | ChEBI |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H400: Very toxic to aquatic life; H411: Toxic to aquatic life with long lasting effects | Acros Organics |
| P phrase | P273: Avoid release to the environment | Acros Organics |
| P phrase | P273: Avoid release to the environment; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P280: Wear protective gloves/protective clothing/eye protection/fa | Acros Organics |
| R phrase | R36/38: Irritating to eyes and skin. | Acros Organics |
| R phrase | R36: Irritating to eyes.; R50: Very toxic to aquatic organisms. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Hazard | XI: Irritant; N: Dangerous for the environment | Acros Organics |
