HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 79856Erstellt: 26. Oktober 2026
2',4'-Dihydroxypropiophenon
1-(2,4-DIHYDROXYPHENYL)PROPAN-1-ONE · 4-PROPIONYLRESORCINOL · LABOTEST-BB LT00261298 · 2,4-DIHYDROXYPROPIOPHENONE · 2,4- Dihydroxy benzaidehyde · 2',4'-Dihydroxypropiophenone · 2',4'-Dihydroxypropiophenone>ETHYL 2,4-DIHYDROXYPHENYL KETONE · 2',4'-Dihydroxypropiophenone,99%
https://huagongshe.com/de/chemical/79856
Identifikatoren & physikalische Daten
| CAS No. | 5792-36-9 |
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| Summenformel | C9H10O3 |
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| Durchschnittliche Molmasse | 166,17 g/mol |
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| Monoisotopische Masse | 166,06299418 g/mol |
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| SMILES | CCC(=O)c1ccc(O)cc1O |
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| InChIKey | LLBBBYLDTDJMNU-UHFFFAOYSA-N |
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| PubChem CID | 79856 |
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| ChEMBL | CHEMBL539379 |
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| EC No. | 227-329-4 |
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| DTXSID | DTXSID90206630 |
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| Lokaler Name | 2',4'-Dihydroxypropiophenon |
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Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
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| Polarare Oberfläche (TPSA) | 57,5 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 167 |
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| Schmelzpunkt | 95-98 °C(lit.) |
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| Siedepunkt | 178 °C / 7mmHg |
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| Dichte | 1.1708 (rough estimate) |
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| Brechungsindex | 1.5260 (estimate) |
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| Lagerbedingungen | RT, stored under nitrogen |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 8.03±0.40(Predicted) |
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| Farbe | Light yellow to Yellow to Orange |
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| BRN | 1238635 |
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| Kosmetik-Inhaltsstoffe Funktionen | ANTIOXIDANT |
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| InChIKey | LLBBBYLDTDJMNU-UHFFFAOYSA-N |
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| CAS Datenbank | 5792-36-9(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29145090 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-37/39-24/25 |
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Herstellung & Synthese
synthetische
Preparation by reaction of propionic acid with resorcinol,in the presence of zinc chloride (Nencki reaction), at reflux (160–165°) for 15 min, at 150° for 20 min in the presence of boron trifluoride for 2 h at 70° (79%), at 80° (67%) or at 105–108° for 15 min (71%) in the presence of polyphosphoric acid for 10–20 min in a boiling water bath (65%) in the presence of 70% perchloric acid at reflux for 30 min (70%) in the presence of Amberlite IR-120 (cation exchange resin sulfonic acid type) at 160° for 2–3 h (76%) Preparation by reaction of propionitrile with resorcinol (Hoesch reaction) (75%) (65%) (46%)(35%) Preparation by reaction of propionic anhydride with resorcinolin the presence of Amberlite IR-120 (cation exchange resin sulfonic acid type) at 160° for 2–3 h (82%) in the presence of concentrated sulfuric acid (small drops) at 130° for some min (60%)Also obtained by Fries rearrangement of resorcinol dipropionatewith aluminium chloride at 180–185° for 90 min (25%) with boron trifluoride, in the presence of resorcinol, at 75° for 1 h (83%) Also obtained by reaction of ethylmagnesium bromide with 2,4-dihydroxy-N, N-diethylbenzamide in refluxing benzene (12%).
