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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

Molekülstruktur von Butan-1,4-diol

Identifikatoren & physikalische Daten

CAS No.110-63-4
SummenformelC4H10O2
Durchschnittliche Molmasse90,12 g/mol
Monoisotopische Masse90,06807956 g/mol
SMILESOCCCCO
InChIKeyWERYXYBDKMZEQL-UHFFFAOYSA-N
PubChem CID8064
ChEMBLCHEMBL171623
ChEBICHEBI:41189
EC No.203-786-5
DTXSIDDTXSID2024666
Lokaler NameButan-1,4-diol

Chemische & physikalische Eigenschaften

XLogP-0,8
Polarare Oberfläche (TPSA)40,5
H-Brücken-Donoren2
H-Brücken-Akzeptoren2
Frei drehbare Bindungen3
Schwere Atome6
Formalladung0
Komplexität17
Schmelzpunkt16 °C (lit.)
Siedepunkt230 °C (lit.)
Dichte1.017 g/mL at 25 °C (lit.)
Dampfdichte3.1 (vs air)
Dampfdruck<0.1 hPa (20 °C)
Brechungsindexn20/D 1.445(lit.)
Flammpunkt135 °C
LagerbedingungenStore below +30°C.
AggregatzustandLiquid
pKa (Säurekonstante)14.73±0.10(Predicted)
FarbeClear colorless
GeruchOdorless
pH7-8 (500g/l, H2O, 20℃)
Explosionsgrenze1.95-18.3%(V)
LöslichkeitMiscible
Spezifische WärmekapazitätCp(liquid): 2.22 J/(g·K), at 25℃
BRN1633445
Henry-Konstante3.5×104 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
Dielektrizitätskonstante30.0(30℃)
StabilitätStable. Combustible. Incompatible with strong oxidizing agents, mineral acids, acid chlorides, acid anhydrides.
Kosmetik-Inhaltsstoffe FunktionenSOLVENT
InChI1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2
InChIKeyWERYXYBDKMZEQL-UHFFFAOYSA-N
SMILESOCCCCO
LogP (Verteilungskoeffizient)-0.88 at 25℃
Oberflächenspannung45.33mN/m at 298.15K
CAS Datenbank110-63-4(CAS DataBase Reference)
NIST chemische Informationen1,4-Butanediol(110-63-4)
EPA chemische Informationen1,4-Butanediol (110-63-4)

Sicherheit & Vorschriften

Wassergefährdungsklasse (WGK)1
TSCA-Inventar-StatusTSCA listed
Zollcode29053980
RTECS-Nr.EK0525000
R-Sätze (R)22-67
ToxizitätLD50 orally in Rabbit: 1525 mg/kg LD50 dermal Rabbit > 2000 mg/kg
GefahrensymboleXn
Sicherheitshinweise (S)36-23-24/25
Lagerklasse10 - Combustible liquids
Gefahrstoffdaten110-63-4(Hazardous Substances Data)
GefahrenklasseAcute Tox. 4 OralSTOT SE 3
Selbstentzündungstemperatur698 °F

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).