3-Tert-butyl-4-hydroxyanisole

CAS	25013-16-5
Structure
Synonyms	Butylated hydroxyanisole
IUPAC Name	2-Tert-butyl-4-methoxyphenol
Molecular Weight	180.24
Canonical SMILES	CC(C)(C)C1=C(C=CC(=C1)OC)O
InChI	InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3
InChI Key	MRBKEAMVRSLQPH-UHFFFAOYSA-N
Boiling Point	264-270 °C
Melting Point	58-60 °C
Flash Point	>230 °F
Purity	95%+
Density	0.9976 g/mL at 25 °C(lit.)
Solubility	Insoluble in water, freely soluble in ethanol
Exact Mass	180.115029749
Monoisotopic Mass	180.115029749
Physical State	Crystalline flakes or crystals
Refractive Index	n20/D 1.491(lit.)
Storage Conditions	2-8 °C
Topological Polar Surface Area	29.5 Ų