Welcome to LookChem.com Sign In|Join Free
  • or

Encyclopedia

1,4-Butanediol

Base Information Edit
  • Chemical Name:1,4-Butanediol
  • CAS No.:110-63-4
  • Deprecated CAS:732189-03-6,1204746-06-4,1400594-63-9,1400594-63-9
  • Molecular Formula:C4H10O2
  • Molecular Weight:90.1222
  • Hs Code.:2905399090
  • European Community (EC) Number:203-786-5,615-930-8
  • ICSC Number:1104
  • NSC Number:406696
  • UNII:7XOO2LE6G3
  • DSSTox Substance ID:DTXSID2024666
  • Nikkaji Number:J5.097K
  • Wikipedia:1,4-Butanediol
  • Wikidata:Q161521
  • Metabolomics Workbench ID:56409
  • ChEMBL ID:CHEMBL171623
  • Mol file:110-63-4.mol
1,4-Butanediol

Synonyms:1,4-butanediol;1,4-butylene glycol

Chemical Property of 1,4-Butanediol Edit
Chemical Property:
  • Appearance/Colour:viscous colourless liquid 
  • Vapor Pressure:0.015mmHg at 25°C 
  • Melting Point:20 °C 
  • Refractive Index:n20/D 1.445(lit.)  
  • Boiling Point:227.999 °C at 760 mmHg 
  • PKA:14.73±0.10(Predicted) 
  • Flash Point:105.909 °C 
  • PSA:40.46000 
  • Density:1.006 g/cm3 
  • LogP:-0.24880 
  • Water Solubility.:Miscible 
  • XLogP3:-0.8
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Rotatable Bond Count:3
  • Exact Mass:90.068079557
  • Heavy Atom Count:6
  • Complexity:17.5
Purity/Quality:

99% *data from raw suppliers

Safty Information:
  • Pictogram(s): HarmfulXn 
  • Hazard Codes: Xn:Harmful;
     
  • Statements: R22:; 
MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:
  • Chemical Classes:Other Classes -> Alcohols and Polyols, Other
  • Canonical SMILES:C(CCO)CO
  • Inhalation Risk:No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
  • Effects of Short Term Exposure:The substance may cause effects on the central nervous system. This may result in narcosis.
Marketing and Price of 1,4-Butanediol
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
Total 278 raw suppliers
Technology Process of 1,4-Butanediol

There total 314 articles about 1,4-Butanediol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:
Guidance literature:
With hydrogen; copper-palladium; silica gel; In ethanol; at 25 ℃; under 760 Torr; Kinetics;
DOI:10.1021/jo001246p
Guidance literature:
With hydrogen; copper catalyst, T 4489, Sud-Chemie AG, Munich; at 150 - 280 ℃; under 187519 Torr; Neat liquid(s) and gas(es)/vapour(s);
Guidance literature:
With C25H19BrMnN2O2P; potassium tert-butylate; hydrogen; In tetrahydrofuran; at 130 ℃; for 48h; under 22502.3 Torr; Inert atmosphere; Glovebox; Autoclave; Green chemistry;
DOI:10.1039/d0gc00570c
Refernces Edit
Post RFQ for Price