NAVIGATION


Acetanisole

Catalog Number
ACMA00017300
Product Name
Acetanisole
Category
Polymers
Description
Solid;colourless to pale yellow fused solid with a floral, powdery, vanillic, balsamic odour
IUPAC Name
1-(4-methoxyphenyl)ethanone
Molecular Weight
150.17g/mol
Molecular Formula
C9H10O2
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
258.0 °C;254 °C
Melting Point
38.5 °C;Mp 38-39 °;38.2 °C;38-39°C
Flash Point
138 °C (280 °F) - open cup
Density
1.0818 g/cu cm at 41 °C
Solubility
In water, 3.62X10+3 mg/L at 25 °C (est);Soluble in ethanol, diethyl ether, acetone and chloroform;Soluble in alcohol, ether, fixed oils;Soluble in fixed oils, propylene glycol; miscible with glycerin;insoluble in water; soluble in organic solvents, oils;very soluble (in ethanol)
Application
Acetanisole, known for its presence in anise oil, is characterized by its white crystalline form with a sweet odor reminiscent of hawthorn and floral notes such as heliotrope. It is synthesized through the Friedel-Crafts acetylation of anisole, often utilizing β-zeolites as catalysts in modern continuous flow technologies. Acetanisole is widely used in the formulation of perfumes, especially those with floral notes, and in the flavoring industry, where its distinctive scent enhances a variety of products. It is particularly useful in adding vanilla, nut, tobacco, and butter flavors to foods. The application of acetanisole spans a range of food categories, with its usage strictly regulated to specific maximum allowable concentrations, ensuring that it contributes its unique aromatic characteristics safely in everything from alcoholic beverages to soft candies.
Color/Form
Crystalline solid;Colorless to pale-yellow fused solid;Yellowish-white crystals
Complexity
135
Covalently-Bonded Unit Count
1
EC Number
202-815-9;922-271-2
Exact Mass
150.06808g/mol
Formal Charge
0
Heavy Atom Count
11
Log P
1.74 (LogP);1.74;log Kow = 1.74;1.74
MeSH Entry Terms
4-acetylanisole;4-methoxyacetophenone
Monoisotopic Mass
150.06808g/mol
NSC Number
209523;5601
Odor
Pleasant odor;Hawthorn odor;Similar to that of p-methylacetopheneone, suggestive of hawthorn and floral note of heliotrope
Other Experimental
Henry's Law constant = 8.88X10-6 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 2.05X10-11 cu cm/molec-sec at 25 °C (est)
Refractive Index
Index of refraction = 1.547 at 41 °C
Rotatable Bond Count
2
Stability
Stable under recommended storage conditions.
UNII
0IRH2BR587
Vapor Pressure
0.01 mmHg;6.44X10-3 mm Hg at 25 °C
XLogP3
1.7
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