2,5-Dimethyl-2,5-hexanediol

• Catalog Number: ACM-MO-110032
• Product Name: 2,5-Dimethyl-2,5-hexanediol
• CAS: 110-03-2
• Category: Heterocyclic Organic Compound
• Description: OtherSolid
• Synonyms: 2,5-Dihydroxy-2,5-dimethylhexane
• IUPAC Name: 2,5-dimethylhexane-2,5-diol
• Molecular Weight: 146.23 g/mol
• Molecular Formula: C8H18O2
• Canonical SMILES: CC(C)(CCC(C)(C)O)O
• InChI: InChI=1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3
• InChI Key: ZWNMRZQYWRLGMM-UHFFFAOYSA-N
• Boiling Point: 127 °C/32 mmHg
• Melting Point: 89 °C
• Density: 0.898 G/ML @ 20 °C
• Solubility: Soluble in water.Soluble in acetone, alcohol, chloroform.
• Appearance: White Powder to Lump
• Color/Form: PRISMS FROM ETHYL ACETATE, FLAKES FROM PETROLEUM ETHER;WHITE CRYSTALS
• Complexity: 91.8
• Covalently-Bonded Unit Count: 1
• Degree of solubility in water: 140 g/l 20 °C
• EC Number: 203-731-5
• Exact Mass: 146.13068g/mol
• Formal Charge: 0
• H-Bond Acceptor: 2
• H-Bond Donor: 2
• Heavy Atom Count: 10
• Monoisotopic Mass: 146.13068g/mol
• NSC Number: 5595
• Physical State: Solid
• Rotatable Bond Count: 3
• UNII: 3PNB2S8721
• XLogP3: 0.8