HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 28813Erstellt: 31. Oktober 2026
Butylisobutylphthalat
butyl isobutyl phthalate · n-Butyl iso-butyl phthalate · Butyl-2-methylpropylphthalate · 1-Butyl-2-isobutyl Phthalic acid · Phthalic Acid Butyl Isobutyl Ester · Phthalic acid 1-butyl 2-isobutyl ester · Butyl isobutyl phthalate, 10 mM in DMSO · n-Butyl isobutyl phthalate in isooctane
https://huagongshe.com/de/chemical/28813
Identifikatoren & physikalische Daten
| CAS No. | 17851-53-5 |
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| Summenformel | C16H22O4 |
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| Durchschnittliche Molmasse | 278,34 g/mol |
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| Monoisotopische Masse | 278,15180918 g/mol |
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| SMILES | CCCCOC(=O)c1ccccc1C(=O)OCC(C)C |
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| InChIKey | UVIVWIFUPKGWGF-UHFFFAOYSA-N |
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| PubChem CID | 28813 |
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| ChEMBL | CHEMBL4071043 |
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| EC No. | 241-802-2 |
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| DTXSID | DTXSID80170497 |
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| Lokaler Name | Butylisobutylphthalat |
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Chemische & physikalische Eigenschaften
| XLogP | 4,8 |
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| Polarare Oberfläche (TPSA) | 52,6 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 9 |
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| Schwere Atome | 20 |
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| Formalladung | 0 |
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| Komplexität | 312 |
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| Stoffklassen | Phthalate |
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| Polymers | Plastics & Rubber -> Phthalate Esters |
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| Endocrine Disruptors | Potential endocrine disrupting compound |
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| Siedepunkt | 315.7±10.0 °C(Predicted) |
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| Dichte | 1.051±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly) |
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| Aggregatzustand | Oil |
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| Farbe | Colourless |
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| InChI | InChI=1S/C16H22O4/c1-4-5-10-19-15(17)13-8-6-7-9-14(13)16(18)20-11-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3 |
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| InChIKey | UVIVWIFUPKGWGF-UHFFFAOYSA-N |
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| SMILES | C1(C(OCCCC)=O)=CC=CC=C1C(OCC(C)C)=O |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P203, P261, P271, P273, P280, P304+P340, P318, P319, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Gefahrenübersicht | See PHTHALATE ESTERS. |
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| Hazard Classes and Categories | STOT SE 3 (50%) |
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| Alarmwort | Achtung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H261 |
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