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HCID 81744Erstellt: 27. Oktober 2026
2-Hydroxy-5-methylisophthalaldehyd
2,6-DIFORMYL-4-METHYLPHENOL · AKOS BC-1725 · 2,6-Diformyl-4-methylphenol,99% · 2-HYDROXY-5-METHYLISOPHTHALDEHYDE · 2-HYDROXY-5-METHYLISOPHTHALALDEHYD · 5-Methyl-2-hydroxyisophthalaldehyde · 2-Hydroxy-5-methylisophthalaldehyde · 2-Hydroxy-5-methylisophthalaldehyde>2-Hydroxy-5-methylbenzene-1,3-dicarbaldehyde
https://huagongshe.com/de/chemical/81744
Identifikatoren & physikalische Daten
| CAS No. | 7310-95-4 |
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| Summenformel | C9H8O3 |
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| Durchschnittliche Molmasse | 164,16 g/mol |
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| Monoisotopische Masse | 164,04734411 g/mol |
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| SMILES | Cc1cc(C=O)c(O)c(C=O)c1 |
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| InChIKey | ZBOUXALQDLLARY-UHFFFAOYSA-N |
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| PubChem CID | 81744 |
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| ChEMBL | CHEMBL3904097 |
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| EC No. | 230-768-4 |
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| DTXSID | DTXSID60223374 |
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| Lokaler Name | 2-Hydroxy-5-methylisophthalaldehyd |
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Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
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| Polarare Oberfläche (TPSA) | 54,4 |
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| H-Brücken-Donoren | 1 |
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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 | 161 |
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| Schmelzpunkt | 128-130 °C (lit.) |
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| Siedepunkt | 251.61°C (rough estimate) |
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| Dichte | 1.2132 (rough estimate) |
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| Brechungsindex | 1.5380 (estimate) |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 6.69±0.23(Predicted) |
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| Farbe | White to Yellow to Orange |
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| InChI | InChI=1S/C9H8O3/c1-6-2-7(4-10)9(12)8(3-6)5-11/h2-5,12H,1H3 |
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| InChIKey | ZBOUXALQDLLARY-UHFFFAOYSA-N |
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| SMILES | C1(C=O)=CC(C)=CC(C=O)=C1O |
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| CAS Datenbank | 7310-95-4(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract 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 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.7%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29124990 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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Anwendungen & Verwendung
Verwenden
2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde (2-hydroxy-5-methylisophthalaldehyde) is suitable reagent used in the synthesis of 2-(2′-vinyloxyethoxy)-5-methylisophthaldehyde and chiral calixsalen macrocycles.2-Hydroxy-5-methyl-1,3-benzenedicarboxaldehyde may be used in the synthesis of the following:3-[(2,4-Dichlorophenyl)iminomethyl]-2-hydroxy-5-methylbenzaldehyde, a Schiff base.2-Hydroxy-3-methoxymethyl-5-methylbenzaldehyde.Acyclic Schiff-base ligands.Macrobicyclic ligands (MSB).4-Methyl-2,6-divinylphenol.2-Hydroxy-3-dimethoxymethyl-5-methylbenzaldehyde.
