Musk ketone

Catalog	ACM81141
CAS	81-14-1
Structure
Description	Musk ketone (MK) is a widely used artificial fragrance. Musk ketone shows mutagenic and comutagenic effects in Hep G2 cells and induces neural stem cell proliferation and differentiation in cerebral ischemia via activation of the PI3K/Akt signaling pathway. In the brain, musk ketone is neuroprotective against stroke injury through inhibition of cell apoptosis.
Synonyms	2-Acetyl-5-tert-butyl-4,6-dinitroxylene
IUPAC Name	1-(4-Tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone
Molecular Weight	294.3
Molecular Formula	C14H18N2O5
Canonical SMILES	CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)C
InChI	InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3
InChI Key	WXCMHFPAUCOJIG-UHFFFAOYSA-N
Boiling Point	436.08 °C
Melting Point	134-137 °C
Flash Point	2 °C
Purity	99%
Density	1.2051 g/cm³
Solubility	Very soluble in chloroform
Appearance	Solid
Storage	2-8 °C
Exact Mass	294.12157168
Monoisotopic Mass	294.12157168
Physical State	Crystalline solid
Refractive Index	1.5110
Storage Conditions	2-8 °C
Topological Polar Surface Area	109 Ų