3,5-Di-tert-butyl-4-hydroxycinnamic acid

Catalog	ACM22014013
CAS	22014-01-3
Structure
Synonyms	3-[4-Hydroxy-3,5-di(tert-butyl)phenyl]-2-propenoic acid
IUPAC Name	(E)-3-(3,5-Ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid
Molecular Weight	276.4
Molecular Formula	C17H24O3
Canonical SMILES	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=CC(=O)O
InChI	InChI=1S/C17H24O3/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6/h7-10,20H,1-6H3,(H,18,19)/b8-7+
InChI Key	CTYWXRDQWMRIIM-BQYQJAHWSA-N
Boiling Point	375 °C
Melting Point	193-196 °C
Flash Point	195 °C
Purity	95%+
Density	1.076 g/mL at 25 °C(lit.)
Solubility	Soluble in water
Exact Mass	276.17254462
Isomeric SMILES	CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/C(=O)O
Monoisotopic Mass	276.17254462
Physical State	Solid
Storage Conditions	2-8 °C
Topological Polar Surface Area	57.5 Ų