| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 9 | Yes |
Popular Name: (S)-1-Phenylethanol (S)-1-Phenylethanol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1193-81-3 , 13323-81-4 , 1445-91-6 , 1517-69-7 , 219586-41-1 , 60-12-8 , 98-85-1 , [1445-91-6] , [98-85-1]
(S)-(-)-?-Methylbenzyl alcohol
(S)-(-)-alpha-Methylbenzyl alcohol
(S)-(-)-sec-Phenethyl alcohol, 99%
(S)-(-)-^a-Methylbenzyl alcohol
(S)-1-Phenethyl alcohol; (S)-1-Phenylethanol; 1445-91-6; C11348
(S)-1-phenylethanol; (S)-alpha-methylbenzenemethanol
(S)-1-phenylethanol; S-1-PHENYLETHANOL
1-ethyl-1-cyclohexa-2,4-dienol
1-ethylcyclohexa-2,4-dien-1-ol
1-Phenylethanol; 98-85-1; C07112; Methylphenyl carbinol; alpha-Methylbenzyl 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) | 1.50 | 2.66 | -4.01 | 1 | 1 | 0 | 20 | 122.167 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 188-190? | Alfa-Aesar |
| Boiling_Point | 188-190° | Alfa-Aesar |
| Melting_Point | 19-20? | Alfa-Aesar |
| Melting_Point | 19-20° | Alfa-Aesar |
| Mp [°C] | 20 | Acros Organics |
| BP [°C] | 203 - 205 | Acros Organics |
| Boiling_Point | 203-205? | Alfa-Aesar |
| Boiling_Point | 203-205° | Alfa-Aesar |
| BP | 205 | TCI |
| Mp [°C] | 9 - 11 | Acros Organics |
| Melting_Point | 9-11? | Alfa-Aesar |
| Melting_Point | 9-11° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Boiling_Point | 97-99?/20mm | Alfa-Aesar |
| Boiling_Point | 97-99°/20mm | Alfa-Aesar |
| BP [°C] | 98 (p=20 torr) | Acros Organics |
| BP | 98 / 20 | TCI |
| Purity | 99% | Fluorochem |
| UniProt Database Links | ADHN_RHOER | ChEBI |
| Patent Database Links | EP0867431; EP0943611; EP1074548; WO2006024663 | ChEBI |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation; H302: Harmful if swallowed | 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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| UniProt Database Links | PED_AROAE | ChEBI |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful 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. | Acros Organics |
| PUBCHEM_PATENT_ID | US5508185 | IBM Patent Data |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.