HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 92264Erstellt: 27. Oktober 2026
4-Methoxybutyric acid
4-Methoxybutanoic acid · m-PEG1-CH2-acid · Einecs 249-366-5 · m-PEG1-(CH2)3-acid · 4-methoxybutanoicaci · 4-methoxybutyric acid · Butanoic acid, 4-methoxy- · BUTANOIC ACID DERIVATVE29006-02-08
https://huagongshe.com/de/chemical/92264
Identifikatoren & physikalische Daten
| CAS No. | 29006-02-8 |
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| Summenformel | C5H10O3 |
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| Durchschnittliche Molmasse | 118,13 g/mol |
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| Monoisotopische Masse | 118,06299418 g/mol |
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| SMILES | COCCCC(=O)O |
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| InChIKey | VRRCYIFZBSJBAT-UHFFFAOYSA-N |
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| PubChem CID | 92264 |
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| ChEMBL | CHEMBL4867734 |
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| EC No. | 249-366-5 |
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| DTXSID | DTXSID70183218 |
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Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
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| Polarare Oberfläche (TPSA) | 46,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 70,1 |
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| Siedepunkt | 146-147 °C(Press: 767 Torr) |
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| Dichte | 1.0057 g/cm3 |
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| Lagerbedingungen | Store at room temperature |
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| pKa (Säurekonstante) | 4.63±0.10(Predicted) |
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| Aggregatzustand | liquid |
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| Farbe | Colourless to light yellow |
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| InChI | 1S/C5H10O3/c1-8-4-2-3-5(6)7/h2-4H2,1H3,(H,6,7) |
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| InChIKey | VRRCYIFZBSJBAT-UHFFFAOYSA-N |
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| SMILES | OC(CCCOC)=O |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH290 (33.3%): May be corrosive to metals [Warning Corrosive to Metals]P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Met. Corr. 1 (33.3%) |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| Zollcode | 2918999090 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 Oral |
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