HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Hydroxybenzylalkohol
3-(Hydroxymethyl)phenol · 3-METHYLOLPHENOL · Metaraminol Impurity 3 · M-HYDROXYBENZYL ALCOHOL · KSD 2405 · KDS 2405 · 3-Methylolphenl · RARECHEM AL BD 0067
Identifikatoren & physikalische Daten
| CAS No. | 620-24-6 |
|---|---|
| Summenformel | C7H8O2 |
| Durchschnittliche Molmasse | 124,14 g/mol |
| Monoisotopische Masse | 124,0524295 g/mol |
| SMILES | OCc1cccc(O)c1 |
| InChIKey | OKVJCVWFVRATSG-UHFFFAOYSA-N |
| PubChem CID | 102 |
| ChEMBL | CHEMBL3337531 |
| ChEBI | CHEBI:17069 |
| EC No. | 210-633-6 |
| DTXSID | DTXSID20211035 |
| Lokaler Name | 3-Hydroxybenzylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 0,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 83 |
| LogP (Verteilungskoeffizient) | 0.5 |
| Physical Description | Solid |
| Collision Cross Section | 122.3 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]123 Ų [M-H]- |
| Schmelzpunkt | 69-72 °C (lit.) |
| Siedepunkt | 300°C |
| Dichte | 1,16 g/cm3 |
| Brechungsindex | 1.5035 (estimate) |
| Flammpunkt | 300°C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)soluble |
| pKa (Säurekonstante) | pK1:9.83 (25°C) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Pink or beige to brown |
| BRN | 2041500 |
| InChI | 1S/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2 |
| InChIKey | OKVJCVWFVRATSG-UHFFFAOYSA-N |
| SMILES | OCc1cccc(O)c1 |
| LogP (Verteilungskoeffizient) | 0.490 |
| CAS Datenbank | 620-24-6(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenemethanol, 3-hydroxy-(620-24-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29072900 |
| RTECS-Nr. | DA4796700 |
| R-Sätze (R) | 36/37/38-41 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Dam. 1Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
3-Hydroxybenzyl alcohol is used as an intermediate to produce other chemicals like 3-Oxy-1'-acetoxy-1-methyl-benzol.