CAS 122-00-9 4'-Methylacetophenone - Materials / Alfa Chemistry

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4'-Methylacetophenone

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Catalog Number

ACM122009

CAS Number

122-00-9

Product Name

4'-Methylacetophenone

Structure

Category

Liquid Crystal (LC) Building Blocks

Synonyms

Esberiven

Description

Solid;low melting colourless or opaque crystalline mass (tends to supercool) with a strong fruity-floral, warm, sweet odour

IUPAC Name

1-(4-Methylphenyl)ethanone

Molecular Weight

134.18

Molecular Formula

C9H10O

Canonical SMILES

CC1=CC=C(C=C1)C(=O)C

InChI

InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3

InChI Key

GNKZMNRKLCTJAY-UHFFFAOYSA-N

Boiling Point

226 °C(lit.)

Melting Point

22-24 °C(lit.)

Flash Point

198 °F

Purity

98%

Density

1.005 g/mL at 25 °C(lit.)

Solubility

Insoluble in water, soluble in organic solvents, oils

Appearance

Clear colorless to pale yellow liquid

Application

4'-Methylacetophenone serves multiple purposes across various industries due to its unique properties. This compound, characterized by its floral, sweet odor that is milder than acetophenone, is found naturally in Brazilian rosewood oil and pepper. Commonly prepared through a Friedel-Crafts reaction using toluene and acetic anhydride or acetyl chloride, 4'-Methylacetophenone is primarily utilized in the fragrance industry for adding blossom notes to mimosa and hawthorn-type perfumes, particularly within soap perfumes. Additionally, this aromatic ketone is valued as a flavoring agent, imparting a sweet, strawberry-like flavor to food products. It also plays a significant role as an intermediate in the synthesis of active pharmaceutical ingredients, enhancements in perfume formulations, and cosmetic manufacturing. Moreover, it engages in chemical reactions, such as reacting with morpholine in the presence of sulfur to produce 4-(p-tolyl-thioacetyl)-morpholine, demonstrating its versatility and importance in chemical synthesis.

Storage

Store below +30 °C

Complexity

121

Covalently-Bonded Unit Count

EC Number

204-514-8

Exact Mass

134.073164938

Formal Charge

Hazard Statements

H302 : Harmful if swallowed.H227 : Combustible liquid.

Heavy Atom Count

Log P

2.1 (LogP);2.10;2.10

MDL Number

MFCD00008751

MeSH Entry Terms

p-methylacetophenone

Monoisotopic Mass

134.073164938

NSC Number

9401

Odor

Fruity-floral, warm, sweet 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.P210 : Keep away from heat/sparks/open flames/hot surfaces. No smoking.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P403 + P235 : Store in a well-ventilated place. Keep cool.

Refractive Index

n20/D 1.533(lit.)

Rotatable Bond Count

Signal Word

Warning

Specific Gravity

1.01

Storage Conditions

Below +30 °C

Topological Polar Surface Area

17.1 Å²

UNII