1.0 2010-04-08 22:09:09 UTC 2020-09-17 15:35:35 UTC FDB010502 4'-Methoxyacetophenone p-Acetanisole also known as 4'-Methoxyacetophenone, belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. p-Acetanisole is an aromatic chemical compound with an aroma described as sweet, fruity, nutty, and similar to vanilla. In addition, Acetanisole can sometimes smell like butter or caramel. At room temperature p-Acetanisole is solid and has a white crystal-like structure. Once melted, the white crystals turn into a clear liquid. p-Acetanisole is a sweet, acacia, and anisic tasting compound. p-Acetanisole is found in the highest concentration in peppermints. p-Acetanisole has also been detected, but not quantified, in several different foods, such as alcoholic beverages, fruits, garden tomato, and herbs and spices. This could make p-Acetanisole a potential biomarker for the consumption of these foods. Acetanisole can be prepared synthetically by Friedel-Crafts acylation of anisole with acetyl chloride. It is used as a cigarette additive, a fragrance, and a flavoring in food. 1-(4-Methoxyphenyl)-ethanone 1-(4-Methoxyphenyl)ethanone 4-Acetylanisole 4-Methoxy-acetophenone 4-Methoxyacetophenone 4-Methoxyphenyl methyl ketone 4'-Methoxy-acetophenone 4'-Methoxyacetophenone Acetanisole Acetophenone, 4'-methoxy- Acetophenone, p-methoxy- Ethanone, 1-(4-methoxyphenyl)- FEMA 2005 Linarodin P-acetylanisole P-Methoxy-acetophenone P-methoxyacetophenone P-metoxyacetophenone Para-methoxyacetophenone C9H10O2 150.1745 150.068079564 1-(4-methoxyphenyl)ethan-1-one P-methoxyacetophenone 100-06-1 COC1=CC=C(C=C1)C(C)=O InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3 NTPLXRHDUXRPNE-UHFFFAOYSA-N belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Alkyl-phenylketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic homomonocyclic compounds Acetophenones Alkyl aryl ethers Anisoles Aryl alkyl ketones Benzoyl derivatives Hydrocarbon derivatives Methoxybenzenes Organic oxides Phenoxy compounds Acetophenone Alkyl aryl ether Alkyl-phenylketone Anisole Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Ether Hydrocarbon derivative Methoxybenzene Monocyclic benzene moiety Organic oxide Phenol ether Phenoxy compound acetophenones monomethoxybenzene logp 1.82 ALOGPS logs -2.15 ALOGPS solubility 1.07e+00 g/l ALOGPS melting_point Mp 38-39° logp 1.37 ChemAxon pka_strongest_acidic 16.28 ChemAxon pka_strongest_basic -4.8 ChemAxon iupac 1-(4-methoxyphenyl)ethan-1-one ChemAxon average_mass 150.1745 ChemAxon mono_mass 150.068079564 ChemAxon smiles COC1=CC=C(C=C1)C(C)=O ChemAxon formula C9H10O2 ChemAxon inchi InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3 ChemAxon inchikey NTPLXRHDUXRPNE-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 42.92 ChemAxon polarizability 16.08 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5547 Specdb::MsIr 5548 Specdb::EiMs 1662 Specdb::NmrOneD 3758 Specdb::NmrOneD 4015 Specdb::CMs 21152 Specdb::CMs 28269 Specdb::CMs 29188 Specdb::CMs 29601 Specdb::CMs 29915 Specdb::CMs 101176 Specdb::CMs 101177 Specdb::CMs 101178 Specdb::CMs 101179 Specdb::CMs 169986 Specdb::MsMs 84315 Specdb::MsMs 84316 Specdb::MsMs 84317 Specdb::MsMs 146139 Specdb::MsMs 146140 Specdb::MsMs 146141 Specdb::MsMs 1474863 Specdb::MsMs 1474864 Specdb::MsMs 1474865 Specdb::MsMs 1474866 Specdb::MsMs 1474867 Specdb::MsMs 1474868 Specdb::MsMs 1474869 Specdb::MsMs 1474870 Specdb::MsMs 1474871 Specdb::MsMs 1474872 Specdb::MsMs 2449879 Specdb::MsMs 2449880 Specdb::MsMs 2449881 Specdb::MsMs 2485932 Specdb::MsMs 2485933 Specdb::MsMs 2485934 HMDB32570 #<Reference:0x000055ce333858b8> Alcoholic beverages Unknown generic Fruits Unknown generic Garden tomato Type 1 specific Solanum lycopersicum 4081 Herbs and Spices Unknown generic Peppermint Type 1 specific Mentha X piperita 34256 0.0055 0.0055 0.0055 mg/100 g acacia anisic balsamic bitter butter caramel hawthorn powdery sweet vanilla