| Identification | More | [Name]
4'-Methylacetophenone | [CAS]
122-00-9 | [Synonyms]
1-(4-METHYLPHENYL)ETHAN-1-ONE
1-acetyl-4-methyl benzene
1-METHYL-4-ACETYLBENZENE
2-BROMO-1-(4-METHYLPHENYL)-1-ETHANONE
2-BROMO-1-(4-METHYLPHENYL)ETHAN-1-ONE
2-BROMO-1-(4-METHYLPHENYL)ETHANONE
2-BROMO-4'-METHYLACETOPHENONE
4-ACETYLTOLUENE
4-(BROMOACETYL)TOLUENE
4'-METHYLACETOPHENONE
4-METHYLACETOPHENONE
4-METHYLPHENACYL BROMIDE
(4-METHYLPHENYL)ETHANONE
AKOS BBS-00000936
AKOS BBS-00003271
BUTTPARK 41\03-57
FEMA 2677
METHYL 4-TOLYL KETONE
METHYLACETOPHENONE-4
METHYL P-TOLYL KETONE | [EINECS(EC#)]
204-514-8 | [Molecular Formula]
C9H10O | [MDL Number]
MFCD00000203 | [Molecular Weight]
134.18 | [MOL File]
122-00-9.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colourless to pale yellowish liquid | [Melting point ]
22-24 °C (lit.) | [Boiling point ]
226 °C (lit.) | [density ]
1.005 g/mL at 25 °C(lit.)
| [vapor pressure ]
0.52 hPa (25 °C) | [FEMA ]
2677 | [refractive index ]
n20/D 1.533(lit.)
| [Fp ]
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 | [biological source]
synthetic | [explosive limit]
1.00%(V) | [Odor Type]
floral | [Water Solubility ]
0.37 g/L (15 ºC) | [JECFA Number]
807 | [BRN ]
606053 | [Henry's Law Constant]
1.8×100 mol/(m3Pa) at 25℃, Ji et al. (2008) | [Cosmetics Ingredients Functions]
FRAGRANCE | [InChI]
1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3 | [InChIKey]
GNKZMNRKLCTJAY-UHFFFAOYSA-N | [SMILES]
CC(=O)c1ccc(C)cc1 | [LogP]
2.1 at 25℃ | [CAS DataBase Reference]
122-00-9(CAS DataBase Reference) | [NIST Chemistry Reference]
Ethanone, 1-(4-methylphenyl)-(122-00-9) | [EPA Substance Registry System]
122-00-9(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302-H315 | [Precautionary statements ]
P264-P270-P280-P301+P312-P302+P352-P332+P313 | [Hazard Codes ]
Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S37/39:Wear suitable gloves and eye/face protection .
S24/25:Avoid contact with skin and eyes .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S36:Wear suitable protective clothing . | [RIDADR ]
UN 1325 4.1/PG 2
| [WGK Germany ]
3
| [RTECS ]
AM9463000
| [TSCA ]
Yes | [REACH Registrations]
Active | [HS Code ]
29143900 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Acute Tox. 4 Oral
Skin Irrit. 2 | [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. | [Toxicity]
LD50 orally in Rabbit: 1400 mg/kg LD50 dermal Rabbit > 2000 mg/kg |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Aluminum chloride-->Acetyl chloride-->Benzyl chloride-->Semicarbazide | [Preparation Products]
4-(1,2,3-Thiadiazol-4-yl)benzoyl chloride-->4-(1,2,3-Thiadiazol-4-yl)benzylamine hydrochloride-->4-(1,2,3-Thiadiazol-4-yl)benzaldehyde-->4-[4-(Bromomethyl)phenyl]-1,2,3-thiadiazole-->5-p-Tolyl-3H-thieno[2,3-d]pyrimidin-4-one-->Ethyl 2-amino-4-(4-methylphenyl)-3-thiophenecarboxylate-->4-(4-Methylphenyl)-1,2,3-thiadiazole-->4-Acetylbenzoic acid-->4-Ethynyltoluene-->CYAZOFAMID-->Naphthalene, 1,2,3,4-tetrahydro-1,6-dimethyl-4-(1-methylethyl)-, (1R,4R)-rel--->ar-turmerone-->2-Bromo-4'-methylacetophenone-->Methyl 4-methylbenzoate-->3,5-Dibromo-4-methylbenzoic acid-->2-Amino-4-(p-tolyl)thiazole-->1-(4-(Bromomethyl)phenyl)ethanone |
| Hazard Information | Back Directory | [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 a fruity, floral odor resembling acetophenone and a sweet, strawberry-like flavor. | [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. | [Chemical Properties]
clear colourless to pale yellowish liquid | [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 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 occurs naturally in mango, tomato and orange. | [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.] |
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Alfa Aesar
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Energy Chemical
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400-0056266 |
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www.energy-chemical.com |
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