HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 95385Erstellt: 26. Oktober 2026
Butanedioic acid, 2-hydroxy-, 1,4-dibutyl ester
Nsc261107 · 2-Hydroxybutanedioic acid dibutyl ester
https://huagongshe.com/de/chemical/95385
Identifikatoren & physikalische Daten
| CAS No. | 1587-18-4 |
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| Summenformel | C12H22O5 |
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| Durchschnittliche Molmasse | 246,3 g/mol |
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| Monoisotopische Masse | 246,1467238 g/mol |
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| SMILES | CCCCOC(=O)CC(O)C(=O)OCCCC |
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| InChIKey | PDSCSYLDRHAHOX-UHFFFAOYSA-N |
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| PubChem CID | 95385 |
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| ChEBI | CHEBI:174276 |
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| EC No. | 228-485-6 |
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| DTXSID | DTXSID20862703 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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| Polarare Oberfläche (TPSA) | 72,8 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 11 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 227 |
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| Aromastoffe | EU Flavoring substances |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 22 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Butanedioic acid, hydroxy-, dibutyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| Hazard Classes and Categories | Eye Irrit. 2 (100%) |
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