4'-Methoxyacetophenone
Catalog Number
ACM100061
CAS
100-06-1
IUPAC Name
1-(4-Methoxyphenyl)ethanone
Synonyms
Epenone
Application
4'-Methoxyacetophenone, a compound that can be derived from anise oil, is known for its distinctive sweet aroma reminiscent of hawthorn. It typically appears as white crystals with a melting point of 38°C. The compound is synthesized through a Friedel-Crafts acetylation of anisole, with modern methods utilizing ??-zeolites as catalysts in continuous flow processes. Its primary purpose lies in its application in the fragrance and flavor industries. In perfumery, it is valued for its contribution to floral scents, making it a popular choice in soap and perfume formulations. Additionally, 4'-Methoxyacetophenone is used to impart flavors in various products, including alcohol, baked goods, chewing gum, dairy items, gelatins, and candies, with specific concentrations recommended for specific food categories to ensure optimal taste and aroma.
Molecular Weight
150.17
Molecular Formula
C9H10O2
Product Information
Description
Solid;colourless to pale yellow fused solid with a floral, powdery, vanillic, balsamic odour
Canonical SMILES
CC(=O)C1=CC=C(C=C1)OC
InChI
InChI=1S/C9H10O2/c1-7(10)8-3-5-9(11-2)6-4-8/h3-6H,1-2H3
InChI Key
NTPLXRHDUXRPNE-UHFFFAOYSA-N
Boiling Point
152-154 °C/26 mmHg(lit.)
Melting Point
36-38 °C(lit.)
Flash Point
>230 °F
Purity
99%
Density
1.08 g/cm³
Solubility
Insoluble in water
Appearance
Solid
Storage
Keep in dark place, sealed in dry, room temperature
Complexity
135
Exact Mass
150.068079557
Hazard Statements
H302 : Harmful if swallowed.H315 : Causes skin irritation.
Heavy Atom Count
11
MDL Number
MFCD00008745
Monoisotopic Mass
150.068079557
Odor
Floral, powdery, vanillic, balsamic odor
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.
Reaxys Registry Number
742313
Refractive Index
1.5470
Rotatable Bond Count
2
Signal Word
Warning
Topological Polar Surface Area
26.3 Ų
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