Typical physical and chemical properties
Catalog Number ACM1879090-1
Product Name 2,4-Dimethyl-6-tert-butylphenol
CAS 1879-09-0
Synonyms 6-Tert-butyl-2,4-xylenol
IUPAC Name 2-Tert-butyl-4,6-dimethylphenol
Molecular Weight 178.27
Molecular Formula C12H18O
InChI InChI=1S/C12H18O/c1-8-6-9(2)11(13)10(7-8)12(3,4)5/h6-7,13H,1-5H3
Boiling Point 249 °C
Melting Point 22 °C
Flash Point 112 °C
Purity 99%
Complexity 169
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Exact Mass 178.135765193
Formal Charge 0
Heavy Atom Count 13
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
Isotope Atom Count 0
Monoisotopic Mass 178.135765193
Physical State Colourless liquid or white crystals
Rotatable Bond Count 1
Topological Polar Surface Area 20.2 Ų
Undefined Atom Stereocenter Count 0
Undefined Bond Stereocenter Count 0
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