Poly(2,6-dimethyl-p-phenylene oxide)

• CAS: 25134-01-4
• Catalog Number: ACM25134014
• Category: Main Products
• Molecular Weight: 122.16g/mol
• Molecular Formula: C8H10O
• Description: 2,6-dimethylphenol is a colorless to off-white crystalline solid with a sweet tarry odor. Odor threshold concentration: 0.4 mg/L . (NTP, 1992);Liquid; OtherSolid;Solid;Colourless crystalline solid, sweet rooty odour
• IUPAC Name: 2,6-dimethylphenol
• Canonical SMILES: CC1=C(C(=CC=C1)C)O
• InChI: InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
• InChI Key: NXXYKOUNUYWIHA-UHFFFAOYSA-N
• Boiling Point: 397 °F at 760 mm Hg (NTP, 1992);201.0 °C;203 °C (also reported as 201.030 °C)
• Melting Point: 120 °F (NTP, 1992);45.7 °C;Mp 49 °;49 °C (also reported as 45.62 °C);49°C
• Flash Point: 165 °F (NTP, 1992);73 °C (closed cup)
• Density: 1.01 at 68 °F (NTP, 1992)
• Solubility: less than 1 mg/mL at 68° F (NTP, 1992);0.05 M;6.05 mg/mL at 25 °C;Sol in ethyl alcohol, ethyl ether, carbon tetrachloride;Very sol in benzene, chloroform;Sol in hot water;In water, 6.05X10+3 mg/l @ 25 °C.;5.1 x 10 (-2) mol/l, at pH 5.1 and 25 °C.;6.05 mg/mL at 25 °C;very soluble (in ethanol)
• Appearance: Powder
• Color/Form: LEAVES OR NEEDLES FROM ALCOHOL
• Complexity: 80.6
• Covalently-Bonded Unit Count: 1
• Decomposition: When heated to decomp, it emits acrid smoke and irritating fumes.
• EC Number: 209-400-1;607-561-6
• Exact Mass: 122.073165g/mol
• Formal Charge: 0
• H-Bond Acceptor: 1
• H-Bond Donor: 1
• Heavy Atom Count: 9
• LogP: 2.36 (LogP);2.36;log Kow= 2.36;2.36
• Monoisotopic Mass: 122.073165g/mol
• NSC Number: 2123
• Other Experimental: Heat of fusion: 75.31 kJ/mole @ 201.07 °C;Hydroxyl radical rate constant = 6.60X10-11 cu cm/molc sec @ 25 °C;Henry's Law constant = 6.7X10-6 atm-cu m/mol @ 25 °C
• pKa: pKa 10.62 (25 °)
• Refractive Index: Index of refraction: 1.5171 @ 60 °C
• Rotatable Bond Count: 0
• UNII: I8N0RO87OV
• UN Number: 2261
• Vapor Pressure: 0.17 mmHg;0.274 mm Hg @ 25 °C
• XLogP3: 2.4