CAS 100-06-1 4'-Methoxyacetophenone - Materials / Alfa Chemistry

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4'-Methoxyacetophenone

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Catalog Number

ACM100061

CAS Number

100-06-1

Product Name

4'-Methoxyacetophenone

Structure

Category

Liquid Crystal (LC) Building Blocks

Synonyms

Epenone

Description

Solid;colourless to pale yellow fused solid with a floral, powdery, vanillic, balsamic odour

IUPAC Name

1-(4-Methoxyphenyl)ethanone

Molecular Weight

150.17

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

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

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.

Storage

Keep in dark place, sealed in dry, room temperature

Color/Form

Crystalline solid;Colorless to pale-yellow fused solid;Yellowish-white crystals

Complexity

135

Covalently-Bonded Unit Count

EC Number

202-815-9;922-271-2

Exact Mass

150.068079557

Formal Charge

Hazard Statements

H302 : Harmful if swallowed.H315 : Causes skin irritation.

Heavy Atom Count

Log P

1.74 (LogP);1.74;log Kow = 1.74;1.74

MDL Number

MFCD00008745

MeSH Entry Terms

4-acetylanisole;4-methoxyacetophenone

Monoisotopic Mass

150.068079557

NSC Number

209523;5601

Odor

Floral, powdery, vanillic, balsamic odor

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)

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.

Refractive Index

1.5470

Rotatable Bond Count

Signal Word

Warning

Stability

Stable under recommended storage conditions.

Storage Conditions

Dark and dry place,Room Temperature

Topological Polar Surface Area

26.3 Å²

UNII