| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 10 | Yes |
Popular Name: 2-(4-Hydroxyphenyl)ethanol 2-(4-Hydroxyphenyl)ethanol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 501-94-0 , [501-94-0]
"2-(4-Hydroxyphenyl)ethanol, 98%"
2-(4-Hydroxyphenyl)ethanol, 98%
4-hydroxy-Benzeneethanol;4-Hydroxyphenylethanol;beta-(4-Hydroxyphenyl)ethanol
4-Hydroxybenzeneethanol; 4-Hydroxyphenylethanol; p-Hydroxyphenethyl alcohol; tyrosol
4-Hydroxyphenethyl alcohol, 98%
4-Hydroxyphenylethanol; 501-94-0; C06044; Tyrosol
| 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) | 1.00 | -0.27 | -4.99 | 2 | 2 | 0 | 40 | 138.166 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 139?/1mm | Alfa-Aesar |
| Boiling_Point | 139°/1mm | Alfa-Aesar |
| BP | 310 | TCI |
| Mp [°C] | 89 - 92 | Acros Organics |
| Melting_Point | 89-92? | Alfa-Aesar |
| Melting_Point | 89-92° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| MP | 91 | TCI |
| MP | 92 - 94 | Enamine Building Blocks |
| MP | 92...94 | Enamine Building Blocks |
| purity | 95 | Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | APIChem |
| Purity | 99% | Fluorochem |
| Indications | antioxidant | KeyOrganics Bioactives |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautious | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | 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 |
| Patent Database Links | US2002198415; US2003108651; US2008274094 | ChEBI |
| Hazard | XI: Irritant | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH2-5-E | Carbonic Anhydrase II (cluster #5 Of 15), Eukaryotic | Eukaryotes | 8700 | 0.71 | Binding ≤ 10μM |
| Y1284-1-B | Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial | Bacteria | 850 | 0.85 | Binding ≤ 10μM |
| Q3I4V7-1-F | Carbonic Anhydrase 2 (cluster #1 Of 4), Fungal | Fungi | 1080 | 0.84 | Binding ≤ 10μM |
| Q5AJ71-2-F | Carbonic Anhydrase (cluster #2 Of 4), Fungal | Fungi | 1100 | 0.83 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Y1284_MYCTU | P64797 | Uncharacterized Protein Rv1284/MT1322, Myctu | 850 | 0.85 | Binding ≤ 1μM |
| Q5AJ71_CANAL | Q5AJ71 | Carbonic Anhydrase, Canal | 1100 | 0.83 | Binding ≤ 10μM |
| Q3I4V7_CRYNV | Q3I4V7 | Carbonic Anhydrase 2, Crynv | 1080 | 0.84 | Binding ≤ 10μM |
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 8700 | 0.71 | Binding ≤ 10μM |
| Y1284_MYCTU | P64797 | Uncharacterized Protein Rv1284/MT1322, Myctu | 850 | 0.85 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Erythrocytes take up carbon dioxide and release oxygen | |
| Erythrocytes take up oxygen and release carbon dioxide | |
| Reversible hydration of carbon dioxide |
