| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 9 | Yes |
Popular Name: Octan-2-ol Octan-2-ol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 123-96-6 , 4128-31-8 , 5978-70-1 , 6169-06-8 , [123-96-6] , [4128-31-8] , [5978-70-1]
(+/-)-2-Octanol;(RS)-2-Octanol;DL-2-Octanol
(2R)-2-octanol; (R)-(-)-2-octanol; (R)-2-octanol; l-octan-2-ol
LS-98140; Secondary octyl alcohol; sec-Octanol; sec-Octyl 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) | 3.00 | -0.6 | -1.77 | 1 | 1 | 0 | 20 | 130.231 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 38 | Acros Organics |
| Melting_Point | 38? | Alfa-Aesar |
| Melting_Point | 38° | Alfa-Aesar |
| BP [°C] | 174 - 181 | Acros Organics |
| BP [°C] | 175 | Acros Organics |
| BP | 179 | TCI |
| Boiling_Point | 179-180? | Alfa-Aesar |
| Boiling_Point | 179-180° | Alfa-Aesar |
| MP | 66 - 68 | Enamine Building Blocks |
| MP | 66...68 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| UniProt Database Links | ADH2_YARLI; ADHN_RHOER | ChEBI |
| Patent Database Links | EP0867431; EP1647268; US2002037563; US2004082042 | ChEBI |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H301: Toxic if swallowed | Acros Organics |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H301: Toxic if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H226: Flammable liquid and vapor | 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 |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; 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 protec | Acros Organics |
| R phrase | R25: Toxic if swallowed. | Acros Organics |
| R phrase | R25: Toxic 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.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label wher | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
