Butane-1,4-diol;hexanedioic acid

Base Information

• Chemical Name: Butane-1,4-diol;hexanedioic acid
• CAS No.: 25103-87-1
• Deprecated CAS: 105866-32-8,1401923-69-0
• Molecular Formula: (C6H10O4.C4H10O2)x
• Molecular Weight: 236.2622
• Hs Code.: 39079999
• European Community (EC) Number: 607-548-5
• DSSTox Substance ID: DTXSID70909773
• Mol file: 25103-87-1.mol

Synonyms:25103-87-1;butane-1,4-diol;hexanedioic acid;SCHEMBL208718;DTXSID70909773;1,4-BUTANEDIOL;ADIPIC ACID;Hexanedioic acid--butane-1,4-diol (1/1);105866-32-8

Chemical Property of Butane-1,4-diol;hexanedioic acid

Chemical Property:

• Appearance/Colour: white crystalline chunks or granules
• Vapor Pressure: 1.81E-05mmHg at 25°C
• Melting Point: 56-60 °C
• Boiling Point: >350 °C(lit.)
• Flash Point: 113 °C
• PSA: 115.06000
• Density: 1.019 g/mL at 25 °C(lit.)
• LogP: 0.46720
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 236.12598835
• Heavy Atom Count: 16
• Complexity: 131

Purity/Quality:

98%,99%, ^*data from raw suppliers

Poly(1,4-butylene adipate) average Mw ~12,000 by GPC ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Plastics & Rubber -> Polymers
• Canonical SMILES: C(CCC(=O)O)CC(=O)O.C(CCO)CO
• Uses: Injection molding for automotive, mechanical and electronic industries.