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HCID 8064Erstellt: 25. Oktober 2026
Butan-1,4-diol
BDO · Butanediol · BUTANE-1,4-DIOL · TETRAMETHYLENE GLYCOL · 1,4-BUTYLENE GLYCOL · 1,4-Butandiol · 1,4-BD · 1,4-Butylene
https://huagongshe.com/de/chemical/8064
Identifikatoren & physikalische Daten
| CAS No. | 110-63-4 |
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| Summenformel | C4H10O2 |
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| Durchschnittliche Molmasse | 90,12 g/mol |
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| Monoisotopische Masse | 90,06807956 g/mol |
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| SMILES | OCCCCO |
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| InChIKey | WERYXYBDKMZEQL-UHFFFAOYSA-N |
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| PubChem CID | 8064 |
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| ChEMBL | CHEMBL171623 |
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| ChEBI | CHEBI:41189 |
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| EC No. | 203-786-5 |
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| DTXSID | DTXSID2024666 |
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| Lokaler Name | Butan-1,4-diol |
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Chemische & physikalische Eigenschaften
| XLogP | -0,8 |
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| Polarare Oberfläche (TPSA) | 40,5 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 6 |
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| Formalladung | 0 |
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| Komplexität | 17 |
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| Schmelzpunkt | 16 °C (lit.) |
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| Siedepunkt | 230 °C (lit.) |
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| Dichte | 1.017 g/mL at 25 °C (lit.) |
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| Dampfdichte | 3.1 (vs air) |
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| Dampfdruck | <0.1 hPa (20 °C) |
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| Brechungsindex | n20/D 1.445(lit.) |
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| Flammpunkt | 135 °C |
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| Lagerbedingungen | Store below +30°C. |
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| Aggregatzustand | Liquid |
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| pKa (Säurekonstante) | 14.73±0.10(Predicted) |
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| Farbe | Clear colorless |
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| Geruch | Odorless |
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| pH | 7-8 (500g/l, H2O, 20℃) |
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| Explosionsgrenze | 1.95-18.3%(V) |
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| Löslichkeit | Miscible |
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| Spezifische Wärmekapazität | Cp(liquid): 2.22 J/(g·K), at 25℃ |
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| BRN | 1633445 |
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| Henry-Konstante | 3.5×104 mol/(m3Pa) at 25℃, Burkholder et al. (2019) |
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| Dielektrizitätskonstante | 30.0(30℃) |
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| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents, mineral acids, acid chlorides, acid anhydrides. |
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| Kosmetik-Inhaltsstoffe Funktionen | SOLVENT |
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| InChI | 1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2 |
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| InChIKey | WERYXYBDKMZEQL-UHFFFAOYSA-N |
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| SMILES | OCCCCO |
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| LogP (Verteilungskoeffizient) | -0.88 at 25℃ |
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| Oberflächenspannung | 45.33mN/m at 298.15K |
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| CAS Datenbank | 110-63-4(CAS DataBase Reference) |
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| NIST chemische Informationen | 1,4-Butanediol(110-63-4) |
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| EPA chemische Informationen | 1,4-Butanediol (110-63-4) |
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Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 1 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29053980 |
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| RTECS-Nr. | EK0525000 |
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| R-Sätze (R) | 22-67 |
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| Toxizität | LD50 orally in Rabbit: 1525 mg/kg LD50 dermal Rabbit > 2000 mg/kg |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 36-23-24/25 |
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| Lagerklasse | 10 - Combustible liquids |
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| Gefahrstoffdaten | 110-63-4(Hazardous Substances Data) |
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| Gefahrenklasse | Acute Tox. 4 OralSTOT SE 3 |
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| Selbstentzündungstemperatur | 698 °F |
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Anwendungen & Verwendung
Verwenden
Butanediol and its derivatives is used in a broad spectrum of applications in the chemical industry; amongst others in the manufacturing of technical plastics, polyurethanes, solvents, electronic chemicals and elastic fibres. 1,4-Butanediol is used in the synthesis of epothilones, a new class of cancer drugs. Also used in the stereoselective synthesis of (-)-Brevisamide. 1,4-Butanediol's largest use is within tetrahydrofuran (THF) production, used to make polytetramethylene ether glycol, which goes mainly into spandex fibers, urethane elastomers, and copolyester ethers. It is commonly used as a solvent in the chemical industry to manufacture gamma-butyrolactone and elastic fibers like spandex. It is used as a cross-linking agent for thermoplastic urethanes, polyester plasticizers, paints and coatings. It undergoes dehydration in the presence of phosphoric acid yielded teterahydrofuran, which is an important solvent used for various applications. It acts an intermediate and is used to manufacture polytetramethylene ether glycol (PTMEG), polybutylene terephthalate (PBT) and polyurethane (PU). It finds application as an industrial cleaner and a glue remover. 1,4-butanediol is also used as a plasticiser (e.g. in polyesters and cellulosics), as a carrier solvent in printing ink, a cleaning agent, an adhesive (in leather, plastics, polyester laminates and polyurethane footwear), in agricultural and veterinary chemicals and in coatings (in paints, varnishes and films).