HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 100733Erstellt: 1. November 2026
3,4-Dihydroxybenzyl Alcohol
RARECHEM AL BD 0069 · Dihydroxybenzylalcohol · 4-methylolpyrocatechol · 4-(Hydroxymethyl)catechol · 4-HYDROXYMETHYLPYROCATECHOL · ALPHA,3,4-TRIHYDROXYTOLUENE · 3,4-DIHYDROXYBENZYL ALCOHOL · 3,4-DihydroxybenzylAlcohol>4-Hydroxymethyl-1,2-benzenediol
https://huagongshe.com/de/chemical/100733
Identifikatoren & physikalische Daten
| CAS No. | 3897-89-0 |
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| Summenformel | C7H8O3 |
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| Durchschnittliche Molmasse | 140,14 g/mol |
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| Monoisotopische Masse | 140,04734411 g/mol |
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| SMILES | OCc1ccc(O)c(O)c1 |
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| InChIKey | PCYGLFXKCBFGPC-UHFFFAOYSA-N |
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| PubChem CID | 100733 |
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| ChEMBL | CHEMBL440107 |
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| ChEBI | CHEBI:218733 |
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| EC No. | 679-887-7 |
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| DTXSID | DTXSID30192260 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
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| Polarare Oberfläche (TPSA) | 60,7 |
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| H-Brücken-Donoren | 3 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 105 |
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| Schmelzpunkt | 117°C |
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| Siedepunkt | 362.8±27.0 °C(Predicted) |
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| Dichte | 1.399±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
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| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 9.58±0.10(Predicted) |
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| Farbe | White to Off-White |
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| Stabilität | Hygroscopic |
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| CAS Datenbank | 3897-89-0(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Zollcode | 2906.29.6000 |
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| R-Sätze (R) | 36/37/38 |
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| Sicherheitshinweise (S) | 26-36 |
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