4'-Methylacetophenone

Catalog	ACM122009
CAS	122-00-9
Structure
Description	Solid;low melting colourless or opaque crystalline mass (tends to supercool) with a strong fruity-floral, warm, sweet odour
Synonyms	Esberiven
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
Exact Mass	134.073164938
Monoisotopic Mass	134.073164938
Odor	Fruity-floral, warm, sweet odor
Physical State	Liquid
Refractive Index	n20/D 1.533(lit.)
Storage Conditions	Below +30 °C
Topological Polar Surface Area	17.1 Ų