HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Hydroxybenzylalkohol
4-(Hydroxymethyl)phenol · P-HYDROXYBENZYL ALCOHOL · Gastrodigenin · 4-hydroxyphenyl Methanol · p-Hydroxybenzyl · p-Methylolphenol · P-hydroxylbenzyl alcohol · 4-Hydroxybenzylic Alcohol
Identifikatoren & physikalische Daten
| CAS No. | 623-05-2 |
|---|---|
| Summenformel | C7H8O2 |
| Durchschnittliche Molmasse | 124,14 g/mol |
| Monoisotopische Masse | 124,0524295 g/mol |
| SMILES | OCc1ccc(O)cc1 |
| InChIKey | BVJSUAQZOZWCKN-UHFFFAOYSA-N |
| PubChem CID | 125 |
| ChEMBL | CHEMBL202132 |
| ChEBI | CHEBI:67410 |
| EC No. | 210-768-0 |
| DTXSID | DTXSID8073920 |
| Lokaler Name | 4-Hydroxybenzylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 75 |
| Stoffklassen | Other Classes -> Phenols |
| LogP (Verteilungskoeffizient) | 0.250.48 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | 6700 mg/L @ 20 °C (exp)slightly soluble in watersoluble in organic solventssoluble (in ethanol)6.7g/l solubleSoluble in water (6.7 mg/ml at 20°C), dioxane (100 mg/ml), 1N NaOH (50 mg/ml), DMSO, and methanol. |
| Siedepunkt | 252.00 °C. @ 760.00 mm Hg251-253°C |
| Schmelzpunkt | 124.5 °C114-122 °C(lit.) |
| Dampfdruck | 0.000825 [mmHg] |
| Physical Description | White to cream crystalline powder[Alfa Aesar MSDS]SolidWhite crystalline powderslightly fruity-sweet coconut odour |
| Dichte | 1.1006 (rough estimate) |
| Brechungsindex | 1.5035 (estimate) |
| FEMA | 3987 | 4-HYDROXYBENZYL ALCOHOL |
| Flammpunkt | 251-253°C |
| Lagerbedingungen | Store below +30°C. |
| pKa (Säurekonstante) | pK1:9.82 (25°C) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Pink to beige |
| Geruch | at 100.00 %. fruity bitter almond sweet coconut |
| Geruchsart | fruity |
| Biologische Quelle | synthetic |
| JECFA Number | 955 |
| BRN | 1858967 |
| Hauptanwendungen | flavors and fragrances |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING |
| InChI | 1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2 |
| InChIKey | BVJSUAQZOZWCKN-UHFFFAOYSA-N |
| SMILES | OCc1ccc(O)cc1 |
| LogP (Verteilungskoeffizient) | 0.21 |
| CAS Datenbank | 623-05-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenemethanol, 4-hydroxy-(623-05-2) |
| EPA chemische Informationen | 4-Hydroxybenzenemethanol (623-05-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 12.1% (24 of 198) of reports.WarningH315 (27.3%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 198 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenemethanol, 4-hydroxy-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 19-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27142Benzenemethanol, 4-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes other degenerative changes to brain and effects on other enzymes in acute intraperitoneal studies of miceHuman dermal administration causes allergic dermatitis and cutaneous sensitization in 2-day studies[RTECS] Safe when used as a flavoring agent in food[JECFA] A skin and strong eye irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (27.3%) |
| Unerwünschte Wirkungen | Skin Sensitizer - An agent that can induce an allergic reaction in the skin. |
| F | 8-9-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29072900 |
| RTECS-Nr. | DA4796800 |
| R-Sätze (R) | 36-36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant/Keep Cold/Air Sensitive/Light Sensitive |
| Sicherheitshinweise (S) | 26-24/25-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Aquatic Chronic 3Eye Irrit. 2 |
Anwendungen & Verwendung
Occurrence
Reportedly found in vanilla, Bourbon (Vanilla plantifolia Andrew
Verwenden
4-Hydroxybenzyl alcohol is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.
Herstellung & Synthese
synthetische
Prepared from p-cresol by using the microorganism, Pseudomonas putida.