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100-06-1

100-06-1 structural image
Product Name: 4'-Methoxyacetophenone
Formula: C9H10O2
Synonyms: p-Acetanisole;4′-Methoxyacetophenone;4-Acetylanisole
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description White crystalline powder; mp = 36-40 deg C; [Alfa Aesar MSDS]
Color/Form Crystalline solid
Odor Pleasant odor
Taste Bitter and unpleasant taste
Boiling Point 254 °C
Melting Point 38.2 °C
Flash Point 138 °C (280 °F) - open cup
Solubility Soluble in ethanol, diethyl ether, acetone and chloroform
Density 1.0818 g/cu cm at 41 °C
Vapor Pressure 0.00644 [mmHg]
LogP log Kow = 1.74
Stability/Shelf Life Stable under recommended storage conditions.
Decomposition When heated to decomposition it emits acrid smoke and irritating fumes.
Refractive Index Index of refraction = 1.547 at 41 °C
Kovats Retention Index 1337 1337 1310.9 1314.3 1325.8 1333.4 1302 1303 1311 1327 1310
Chemical Classes Other Classes -> Other Aromatic Compounds

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 150.17 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 150.068079557 g/mol
Monoisotopic Mass 150.068079557 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 135
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

4'-Methoxyacetophenone is a monomethoxybenzene that belongs to the acetophenone group. It is prepared by the reaction of anisole and acetic anhydride in chlorobenzene. It is mainly used in catalytic reactions and can be used in biocatalytic enantioselective reduction reactions to produce (S)-1-(4-methoxyphenyl) ethanol.

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