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2-Hydroxy-2-methylpropionsure
2-HYDROXY-2-METHYLPROPANOIC ACID · 2-hydroxyisobutyrate · Propanoic acid, 2-hydroxy-2-methyl- · ALPHA-HYDROXYISOBUTYRIC ACID · α-Hydroxyisobutyric acid · |á-Hydroxyisobutyric acid · 2-hydroxy-2-methylpropanoate · 2-HYDROXY-2-METHYLPROPIONIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 594-61-6 |
|---|---|
| Summenformel | C4H8O3 |
| Durchschnittliche Molmasse | 104,1 g/mol |
| Monoisotopische Masse | 104,04734412 g/mol |
| SMILES | CC(C)(O)C(=O)O |
| InChIKey | BWLBGMIXKSTLSX-UHFFFAOYSA-N |
| PubChem CID | 11671 |
| ChEMBL | CHEMBL1345148 |
| ChEBI | CHEBI:50129 |
| EC No. | 209-848-8 |
| DTXSID | DTXSID4032954 |
| Lokaler Name | 2-Hydroxy-2-methylpropionsure |
Chemische & physikalische Eigenschaften
| XLogP | -0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 84,9 |
| Stoffklassen | Other Classes -> Organic Acids |
| Lipide | Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Hydroxy fatty acids [FA0105] |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | -0.36 |
| Siedepunkt | 212.00 °C. @ 760.00 mm Hg212 °C @760 [mm Hg]84 °C1.5 mm Hg(lit.) |
| Schmelzpunkt | 82.5 °C76-80 °C(lit.) |
| Physical Description | White crystalline solid[Sigma-Aldrich MSDS] |
| Dichte | 11412 |
| Brechungsindex | 1.4761 (estimate) |
| Flammpunkt | 114°C/12mm |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | water: soluble10%, clear to very slightly hazy, colorlessSoluble in water, ether, alcohol, methanol and hot benzene. |
| pKa (Säurekonstante) | pK1:3.717 (25°C,μ=0.1) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| BRN | 1744739 |
| Kosmetik-Inhaltsstoffe Funktionen | FRAGRANCE |
| InChI | 1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6) |
| InChIKey | BWLBGMIXKSTLSX-UHFFFAOYSA-N |
| SMILES | CC(C)(O)C(O)=O |
| LogP (Verteilungskoeffizient) | -0.360 |
| CAS Datenbank | 594-61-6(CAS DataBase Reference) |
| NIST chemische Informationen | Propanoic acid, 2-hydroxy-2-methyl-(594-61-6) |
| EPA chemische Informationen | Propanoic acid, 2-hydroxy-2-methyl- (594-61-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 42% (55 of 131) of reports.DangerH315 (53.4%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 131 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Propanoic acid, 2-hydroxy-2-methyl-Status: Active Update: 12-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/252012-Hydroxyisobutyric acid: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment |
| Gefahrenübersicht | A skin and strong eye irritant[Sigma-Aldrich MSDS] See Butyric acid. |
| Hazard Classes and Categories | Skin Irrit. 2 (53.4%) |
| Protective Action Criteria (PAC) | 12 [mg/m3]130 [mg/m3]790 [mg/m3] |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29181980 |
| R-Sätze (R) | 37/38-41-36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-39-25-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Hydroxyisobutyric acid is used as background electrolyte for separation and detection of the metal ions by on-line cyclic voltammetry.