100-06-1
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.