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p-Methylacetophenone

p-Methylacetophenone structure

CAS No:
122-00-9
Formula:
C9H10O
Chemical Name:
p-Methylacetophenone
Synonyms:
Ethanone,1-(4-methylphenyl)-;Acetophenone,4′-methyl-;1-(4-Methylphenyl)ethanone;p-Acetyltoluene;Melilotal;p-Methylacetophenone;4′-Methylacetophenone;Methyl p-tolyl ketone;1-Acetyl-4-methylbenzene;4-Methylphenyl methyl ketone;p-Tolyl methyl ketone;Methyl 4-methylphenyl ketone;1-p-Tolylethanone;1-(4-Methylphenyl)-1-ethanone;4-Acetyltoluene;1-(4-Tolyl)ethanone;NSC 9401;4-Methylhypnone;4-Methyl-1-acetylbenzene;1-(p-Tolyl)ethan-1-one
Categories:
Cosmetic Ingredient > Fragrance Ingredient

Description

4'-Methylacetophenone has a fruity, floral odor resembling acetophenone and a sweet, strawberry-like flavor. clear colourless to pale yellowish liquid 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 haw

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.

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

4'-Methylacetophenone is an aromatic ketone.

p-Methylacetophenone Basic Attributes

Molecular Weight：

134.18

Exact Mass：

134.18

BRN：

606053

EC Number：

204-514-8

UNII：

AX66V0KX3Y

NSC Number：

9401

DSSTox ID：

DTXSID9044374

HScode：

2914399090

Characteristics

PSA：

17.1

XLogP3：

2.1 (LogP)

Appearance：

Clear colorless to pale yellow Liquid

Density：

1.0051 g/cm³ @ Temp: 20 °C

Melting Point：

28 °C

Boiling Point：

226 °C

Flash Point：

198 °F

Refractive Index：

n 20/D 1.533(lit.)

Water Solubility：

H2O: 0.37 g/L (15 ºC)

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.52 hPa (25 °C)

Toxicity：

LD50 orally in Rabbit: 1400 mg/kg LD50 dermal Rabbit > 2000 mg/kg

Explosive limit：

1.00%(V)

Safety Information

Transport codes：

UN 1325 4.1/PG 2

wgk germany：

hazard class code：

36/37/38-22-20/21/22

safety instructions：

26-27-37/39-24/25-23-36

RTECS Number：

AM9463000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P301 + P312 + P330

Hazard Statements：

H302-H315

RIDADR：

UN 1325

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P321, P330, P332+P313, P362, and P501|Aggregated GHS information provided by 1736 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H227: Combustible liquid [Warning Flammable liquids]|P210, P264, P270, P280, P301+P312, P330, P370+P378, P403+P235, and P501

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
SKIN/EYE IRRITATION DATA	Standard Draize test	Administration onto the skin	Human	100%	--	Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,933,1974
SKIN/EYE IRRITATION DATA	Standard Draize test	Administration onto the skin	Rodent - rabbit	500 mg/24H	--	Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,933,1974
SKIN/EYE IRRITATION DATA	LD50 - Lethal dose, 50 percent kill	Oral	Rodent - rat	1400 mg/kg	Details of toxic effects not reported other than lethal dose value--	Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 12,933,1974

Drug Information

MeSH Entry Terms：

p-methylacetophenone

p-Methylacetophenone Use and Manufacturing

Methods of Manufacturing

It can be obtained by freeing essential oils: first made into semicarbazone, then decomposed with 10% oxalic acid aqueous solution and then steam distilled to obtain pure product. By the reaction of acetyl chloride, toluene and aluminum trichloride.

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.

Manufacturing Info：

Ethanone, 1-(4-methylphenyl)-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Cosmetics -> Masking

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:134.17
XLogP3:2.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:134.073164938
Monoisotopic Mass:134.073164938
Topological Polar Surface Area:17.1
Heavy Atom Count:10
Complexity:121
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

67035-84-1

Material

Benzyl chloride

Toluene

Acetic acid

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Guide of p-Methylacetophenone

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Synthesis Route
Material
Recommended Suppliers
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