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4'-Methylacetophenone

CAS No.122-00-9
Chemical Name:4'-Methylacetophenone
CBNumber:CB5852945
Molecular Formula:C9H10O
Formula Weight:134.18
MOL File:122-00-9.mol

4'-Methylacetophenone Property

Melting point 22-24 °C (lit.)
Boiling point 226 °C (lit.)
Density 1.004 g/mL at 20 °C 1.005 g/mL at 25 °C (lit.)
vapor pressure 0.52 hPa (25 °C)
FEMA 2677 | 4'-METHYLACETOPHENONE
refractive index n20/D 1.533(lit.)
Flash point 198 °F
storage temp. Store below +30°C.
solubility 2.07g/l
form Liquid
color Clear colorless to pale yellow
Odor at 10.00 % in dipropylene glycol. hawthorn sweet mimosa coumarin cherry acetophenone
Odor Type floral
biological source synthetic
explosive limit 1.00%(V)
Water Solubility 0.37 g/L (15 ºC)
JECFA Number 807
BRN 606053
InChIKey GNKZMNRKLCTJAY-UHFFFAOYSA-N
LogP 2.1 at 25℃
Substances Added to Food (formerly EAFUS) 4'-METHYLACETOPHENONE
CAS DataBase Reference 122-00-9(CAS DataBase Reference)
FDA UNII AX66V0KX3Y
NIST Chemistry Reference Ethanone, 1-(4-methylphenyl)-(122-00-9)
EPA Substance Registry System Ethanone, 1-(4-methylphenyl)- (122-00-9)
UNSPSC Code 85151701
NACRES NA.24

Safety

Hazard Codes :Xn
Risk Statements :36/37/38-22-20/21/22
Safety Statements :26-27-37/39-24/25-23-36
RIDADR :UN 1325 4.1/PG 2
WGK Germany :3
RTECS :AM9463000
TSCA :Yes
HS Code :29143900
Toxicity :LD50 orally in Rabbit: 1400 mg/kg LD50 dermal Rabbit > 2000 mg/kg

NFPA 704:

	1
0		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordWarning
Hazard statements H302-H315
Precautionary statements P264-P270-P280-P301+P312-P302+P352-P332+P313

4'-Methylacetophenone Price More Price(15)

Brand: Sigma-Aldrich(India)
Product number: W267708
Product name : 4′-Methylacetophenone
Purity: ≥95%, FCC, FG
Packaging: 1SAMPLE-K
Price: ₹5141.88
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: W267708
Product name : 4′-Methylacetophenone
Purity: ≥95%, FCC, FG
Packaging: 1KG
Price: ₹8865.68
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: M26615
Product name : 4′-Methylacetophenone
Purity: 95%
Packaging: 100G
Price: ₹1948.5
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: M26615
Product name : 4′-Methylacetophenone
Purity: 95%
Packaging: 500G
Price: ₹8540.93
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: 8.21243
Product name : 4′-Methylacetophenone
Purity: for synthesis
Packaging: 250ML
Price: ₹5930
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4'-Methylacetophenone Chemical Properties,Usage,Production

Description 4'-Methylacetophenone has a fruity, floral odor resembling acetophenone and a sweet, strawberry-like flavor. May be prepared by slow addition of acetyl chloride to a mixture of toluene and AlCl in an ice bath and under vacuum, maintaining the temperature at +5°C and then letting it increase to +20°C.
Chemical Properties 4'-Methylacetophenone has been identified in Brazilian rosewood oil and in pepper. It occurs as colorless crystals with a floral, sweet odor that is milder than that of acetophenone. 4-Methylacetophenone is prepared from toluene and acetic anhydride or acetyl chloride by a Friedel–Crafts reaction. It is used for blossom notes in mimosaand hawthorn-type perfumes, especially soap perfumes.
Occurrence Reported found in the essential oil distilled from the wood of Myrocarpus fastigiatus, Myrocarpus frondo sus, Bois de Rose. Also reported found in sour cherry, orange and grapefruit peel oil, black currants, guava, peach, blackberry, celery, potato, tomato, mentha oils, pepper, parsley, smoked fish, cognac, parmesan cheese, cocoa, tea, soybean, cloudberry, mango, cauliflower, broccoli, rice bran, buckwheat, dried bonito, cherimoya, calabash nutmeg and mastic gum leaf oil, cooked cabbage, mandarin juice.
Uses 4'-Methylacetophenone is used as a flavoring agent. It reacts with morpholine to get 4-(p-tolyl-thioacetyl)-morpholine in the presence of sulfur as a reagent. Further, it is used as an intermediate in the manufacture of active pharmaceutical ingredients, perfumes and cosmetics.
Uses 4'-Methylacetophenone is a methylated acteophenone used in cosmetics and perfumery. The presence of 4'-Methylacetophenone has been shown to accelerate the photopolymerization of Methyl methacrylate.
Definition ChEBI: 4'-Methylacetophenone is an aromatic ketone. It is a metabolite found in or produced by Saccharomyces cerevisiae.
Preparation By slow addition of acetyl chloride to a mixture of toluene and AlCl in an ice bath and under vacuum, maintaining the temperature at +5°C and then letting it increase to +20°C.
Taste threshold values Taste characteristics at 20 ppm: sweet, creamy, fruity, cherry and heliotropine-like.
Synthesis Reference(s) Journal of the American Chemical Society, 110, p. 2560, 1988 DOI: 10.1021/ja00216a032
Tetrahedron Letters, 27, p. 2965, 1986 DOI: 10.1016/S0040-4039(00)84691-2
General Description 4′-Methylacetophenone is a clear colourless to pale yellowish liquid that occurs naturally in mango, tomato and orange.
Safety Profile Moderately toxic by ingestion. A human skin irritant. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.
Purification Methods Impurities, including the o-and m-isomers, are removed by forming the semicarbazone (m 212-213.5o) which, after repeated crystallisation, is hydrolysed to the ketone. [Brown & Marino J Am Chem Soc 84 1236 1962.] It can also be purified by distillation under reduced pressure, followed by low temperature crystallisation from isopentane. [Beilstein 7 IV 701.]