HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 1303Erstellt: 26. Oktober 2026
2-Phenylmilchsure
ATROLACTIC ACID · 2-HYDROXY-2-PHENYLPROPANOIC ACID · atrolacticaci · atrolactinic acid · dl-Atrolactic acid · A-PHENYLLACTIC ACID · alpha-Phenyllactic acid · 2-hydroxyhydratropic acid
https://huagongshe.com/de/chemical/1303
Identifikatoren & physikalische Daten
| CAS No. | 4607-38-9 |
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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 | CC(O)(C(=O)O)c1ccccc1 |
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| InChIKey | NWCHELUCVWSRRS-UHFFFAOYSA-N |
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| PubChem CID | 1303 |
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| ChEBI | CHEBI:50392 |
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| EC No. | 208-196-1 |
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| DTXSID | DTXSID10862090 |
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| Lokaler Name | 2-Phenylmilchsure |
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Chemische & physikalische Eigenschaften
| XLogP | 1 |
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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 | 173 |
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| Collision Cross Section | 134.36 Ų [M-H]- [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)] |
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| Schmelzpunkt | 88 °C |
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| Siedepunkt | 234.38°C (rough estimate) |
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| Dichte | 1.1097 (rough estimate) |
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| Brechungsindex | 1.4500 (estimate) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | pK1:3.532 (25°C) |
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| Farbe | White to Light yellow |
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| Merck | 14,873 |
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| BRN | 2208528 |
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| CAS Datenbank | 515-30-0(CAS DataBase Reference) |
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| EPA chemische Informationen | Benzeneacetic acid, .alpha.-hydroxy-.alpha.-methyl- (515-30-0) |
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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 (100%): 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)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%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 2918.19.3100 |
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| Sicherheitshinweise (S) | 22-24/25 |
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