HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 445144Erstellt: 26. Oktober 2026
(S)-Atrolactic acid
(S)-2-Hydroxy-2-phenylpropanoic acid · (+)-Atrolactate · (S)-(+)-Atrolacticacid · (S)-(+)-2-Phenyllacticacid · (+)-α-Methyl-L-mandelic acid · [S,(+)]-α-Hydroxyhydratropic acid · (2S)-2-hydroxy-2-phenylpropanoic acid · (S)-2-HYDROXY-2-METHYLBENZENEACETIC ACID
https://huagongshe.com/de/chemical/445144
Identifikatoren & physikalische Daten
| CAS No. | 13113-71-8 |
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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 | C[C@@](O)(C(=O)O)c1ccccc1 |
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| InChIKey | NWCHELUCVWSRRS-VIFPVBQESA-N |
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| PubChem CID | 445144 |
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| ChEBI | CHEBI:40741 |
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| EC No. | 977-222-8 |
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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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| Schmelzpunkt | 112-115 °C |
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| Siedepunkt | 254.38°C (rough estimate) |
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| Dichte | 1.1708 (rough estimate) |
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| Brechungsindex | 1.5500 (estimate) |
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| pKa (Säurekonstante) | 3.53±0.25(Predicted) |
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| BRN | 2208529 |
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| CAS Datenbank | 13113-71-8 |
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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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| R-Sätze (R) | 36 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 24/25-26 |
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