4-(4-Methoxyphenyl)-2-butanone - CAS 104-20-1

Name: 4-(4-Methoxyphenyl)-2-butanone
Brand: BOC Sciences
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Catalog:	BB001352
Product Name:	4-(4-Methoxyphenyl)-2-butanone
CAS:	104-20-1
Synonyms:	4-(p-Methoxyphenyl)-2-butanone; 1-(4-Methoxyphenyl)-3-butanone; 1-(p-Methoxyphenyl)-3-butanone; 4-Methoxybenzylacetone; 4-[4-(Methyloxy)phenyl]-2-butanone; Anisylacetone; ENT 20279; NSC 405366; Raspberry Ketone Methyl Ether; p-Anisylacetone

Technical Data

IUPAC Name:	4-(4-methoxyphenyl)butan-2-one
Molecular Weight:	178.23
Molecular Formula:	C11H14O2
Canonical SMILES:	CC(=O)CCC1=CC=C(C=C1)OC
InChI:	InChI=1S/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3
InChI Key:	PCBSXBYCASFXTM-UHFFFAOYSA-N
Boiling Point:	152-153°C at 15 mmHg
Melting Point:	8°C
Flash Point:	112°C
Purity:	95%
Density:	1.046 g/mL at 25°C
Solubility:	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance:	Pale Yellow Colorless Liquid
Storage:	Store at 2-8°C
MDL:	MFCD00008791
LogP:	2.21680
Refractive Index:	1.519-1.521
Stability:	Stable at room temperature in closed containers under normal storage and handling conditions.

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.099379685
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	178.099379685
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1