3'-Hydroxy-4'-methoxyacetophenone - CAS 6100-74-9

Name: 3'-Hydroxy-4'-methoxyacetophenone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB030895
Product Name:	3'-Hydroxy-4'-methoxyacetophenone
CAS:	6100-74-9
Synonyms:	1-(3-hydroxy-4-methoxyphenyl)ethanone
Application:	Isoacetovanillone (Diosmin EP Impurity A) is a volatile compound isolated from oak wood. Also a byproduct in the production of Acetovanillone.

Technical Data

IUPAC Name:	1-(3-hydroxy-4-methoxyphenyl)ethanone
Description:	Isoacetovanillone one of impurities of Diosmin, is a volatile compound isolated from oak wood and is alsp a byproduct in the production of Acetovanillone.
Molecular Weight:	166.17
Molecular Formula:	C9H10O3
Canonical SMILES:	CC(=O)C1=CC(=C(C=C1)OC)O
InChI:	InChI=1S/C9H10O3/c1-6(10)7-3-4-9(12-2)8(11)5-7/h3-5,11H,1-2H3
InChI Key:	YLTGFGDODHXMFB-UHFFFAOYSA-N
Boiling Point:	329.9 °C at 760 mmHg
Melting Point:	88-92 °C
Purity:	> 98 %
Density:	1.2±0.1 g/cm³
Appearance:	Powder
MDL:	MFCD00182975
LogP:	1.60340
Quality Standard:	Enterprise Standard

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
21547943	20110701	Precision studies in supramolecular chemistry: a 1H NMR study of hydroxymethoxyacetophenone/β-cyclodextrin complexes	Magnetic resonance in chemistry : MRC
14630187	20031201	1-(3-Hydroxy-4-methoxy-5-methylphenyl) ethanone, a new compound from the stem bark of Lamprothamnus zanguebaricus	Fitoterapia

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.062994177
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.062994177
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2