HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 69957Erstellt: 26. Oktober 2026
Methylhydrogensebacat
MONOMETHYL SEBACATE · MonomethylSebacate>METHYL HYDROGEN SEBACATE · Monomethyl sebacate（MMS） · Methyl 9-carboxynonanoate · MMS (mono-methyl sebacate) · decyldiacidmonomethyl ester · SEBACIC ACID MONOMETHYL ESTER · MONOMETHYL DECANE-1,10-DIOATE
https://huagongshe.com/de/chemical/69957
Identifikatoren & physikalische Daten
| CAS No. | 818-88-2 |
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| Summenformel | C11H20O4 |
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| Durchschnittliche Molmasse | 216,27 g/mol |
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| Monoisotopische Masse | 216,13615912 g/mol |
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| SMILES | COC(=O)CCCCCCCCC(=O)O |
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| InChIKey | OSYQOBUUFRGFNG-UHFFFAOYSA-N |
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| PubChem CID | 69957 |
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| ChEBI | CHEBI:191166 |
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| EC No. | 212-458-0 |
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| DTXSID | DTXSID401002231 |
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| Lokaler Name | Methylhydrogensebacat |
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Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
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| Polarare Oberfläche (TPSA) | 63,6 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 10 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 189 |
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| Stoffklassen | Other Classes -> Other Organic Compounds |
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| Physical Description | White solid[Alfa Aesar MSDS] |
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| Schmelzpunkt | 41-44 °C(lit.) |
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| Siedepunkt | 168-170 °C3 mm Hg(lit.) |
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| Dichte | 0.9825 (rough estimate) |
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| Brechungsindex | 1.4250 (estimate) |
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| Flammpunkt | 110 °C |
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| Lagerbedingungen | Store at room temperature |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 4.78±0.10(Predicted) |
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| Farbe | White to Almost white |
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| InChI | InChI=1S/C11H20O4/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h2-9H2,1H3,(H,12,13) |
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| InChIKey | OSYQOBUUFRGFNG-UHFFFAOYSA-N |
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| SMILES | C(OC)(=O)CCCCCCCCC(O)=O |
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| CAS Datenbank | 818-88-2(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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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| Gefahrenübersicht | May cause mild eye irritation[Alfa Aesar MSDS] |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2917.19.7050 |
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| Sicherheitshinweise (S) | 22-24/25 |
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