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4'-Methoxyacetophenone

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CAS:100-06-1
Purity:99% Package:25KG
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CAS:100-06-1
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CAS:100-06-1
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CAS:100-06-1
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Products Intro: Product Name:4'-Methoxyacetophenone
CAS:100-06-1
Purity:98%(min,GC) Package:1G;1KG;100KG

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  • CAS:100-06-1
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  • 2024-04-20
  • CAS:100-06-1
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4'-Methoxyacetophenone Basic information
Identification Description Regulatory Status Usage Natural occurrence
Product Name:4'-Methoxyacetophenone
Synonyms:4'-Methoxyacetophenone≥ 99% (GC);4'-Methoxyacetophenone p-Acetanisole 4-Methoxyacetophenone;ACETANISOLE 98+% FCC;4-Methoxyacetophenone,>99%;Epenone;P-METHOXY ACETOPLENONE;PARA-METHOXYACETONPHENONE;ACETYLANISOLE
CAS:100-06-1
MF:C9H10O2
MW:150.17
EINECS:202-815-9
Product Categories:Azetidines;Acetophenones (Building Blocks for Liquid Crystals);Building Blocks for Liquid Crystals;Functional Materials;FINE Chemical & INTERMEDIATES;Aromatic Acetophenones & Derivatives (substituted);Acetophenone Series;100-06-1;bc0001
Mol File:100-06-1.mol
4'-Methoxyacetophenone Structure
4'-Methoxyacetophenone Chemical Properties
Melting point 36-38 °C (lit.)
Boiling point 152-154 °C/26 mmHg (lit.)
density 1.08
vapor pressure 0.42Pa at 20℃
refractive index 1.5470 (estimate)
FEMA 2005 | ACETANISOLE
Fp >230 °F
storage temp. Keep in dark place,Sealed in dry,Room Temperature
solubility H2O: soluble2.474g/L at 20°C
form Crystals or Crystalline Powder
color White
Odorat 100.00 %. sweet hawthorn anisic powdery balsamic acacia
Odor Typeanisic
Water Solubility insoluble
Sensitive Light Sensitive
JECFA Number810
BRN 742313
InChIKeyNTPLXRHDUXRPNE-UHFFFAOYSA-N
LogP1.79 at 20℃
CAS DataBase Reference100-06-1(CAS DataBase Reference)
NIST Chemistry ReferenceAcetophenone, 4'-methoxy-(100-06-1)
EPA Substance Registry System4'-Methoxyacetophenone (100-06-1)
Safety Information
Hazard Codes Xn
Risk Statements 22-38-36/38-20/21/22
Safety Statements 37-37/39-26-36
WGK Germany 2
RTECS AM9240000
TSCA Yes
HS Code 29145000
Hazardous Substances Data100-06-1(Hazardous Substances Data)
toxicityThe acute oral LD50 value in rats was reported as 1.72 g/kg (1.47-1.97 g/kg) (Moreno, 1973). The acute dermal LD50 value in rabbits was reported as > 5 g/kg (Moreno, 1973).
MSDS Information
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4'-Methoxyacetophenone English
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4'-Methoxyacetophenone Usage And Synthesis
Identification
CAS.No.: 
100-06-1 
FL.No.: 
7.038
FEMA.No.: 
2005
NAS.No.: 
2005
CoE.No.: 
570
EINECS.No.: 
202-815-9 
JECFA.No.: 
810
 
 
DescriptionYellowish-white crystals with an odor similar to that of p-methylacetopheneone, suggestive of hawthorn and floral note of heliotrope, possessing a bitter and unpleasant taste. Useful in vanilla, nut, tobacco and butter flavors.
Regulatory StatusCoE: Approved. Bev.: 10 ppm; Food: 20 ppm
FDA: 21 CFR 172.515
FDA (other): n/a
JECFA: ADI: Acceptable. No safety concern at current levels of intake when used as a flavoring agent (2001).
UsageReported uses (ppm): (FEMA, 1994)
Food Category 
Usual 
Max. 
Alcoholic.beverages 
0.0001
0.0001
Baked.goods 
1.5
2
Chewing.gum 
110
110
Frozen.dairy 
1
2
Gelatins,.puddings 
0.2
0.2
Hard.candy 
278.3
335
Meat.products 
100
100
Nonalcoholic.beverages 
7.8
150
Soft.candy 
2.1
31
Natural occurrenceReported found in European cranberry (Vaccinium oxycoccus L.), guava fruit (Psidium guajava L.), Vitis labrusca L., tomato, anise (Pimpinella anisum L.), mentha oils, grilled and roasted beef, sherry, cloudberry (Rubus chamaemorus L.), salted and pickled plums, Illicium verum and black chokeberry (Aronia melanocarpa ell.).
Chemical PropertiesWHITE CRYSTALS OR CRYSTALLINE POWDER
Chemical PropertiesYellowish-white crystals with an odor similar to that of p-methylacetopheneone, suggestive of hawthorn and floral note of heliotrope, possessing a bitter and unpleasant taste. Useful in vanilla, nut, tobacco and butter flavors
Chemical Properties4-Methoxyacetophenone occurs in anise oil. It forms white crystals (mp 38°C) with a sweet odor, reminiscent of hawthorn. 4-Methoxyacetophenone is prepared by Friedel–Crafts acetylation of anisole. A modern process uses ??-zeolites as Friedel–Crafts catalysts in combination with a continuous flow technology. 4-Methoxyacetophenone is used in soap perfumes
OccurrenceReported found in European cranberry (Vaccinium oxycoccus L.), guava fruit (Psidium guajava L.), Vitis labrusca L., tomato, anise (Pimpinella anisum L.), mentha oils, grilled and roasted beef, sherry, cloudberry (Rubus chamaemorus L.), salted and pickled plums, Illicium verum and black chokeberry (Aronia melanocarpa ell.).
Uses4'-Methoxyacetophenone is a solid, pale yellow flavoring agent with a hawthornlike odor. It is soluble in most fixed oils and propylene glycol, and it is insoluble in glycerin and mineral oil. It is obtained by chemical synthesis. This flavoring substance or its adjuvant may be safely used in food in the minimum quantity required to produce its intended flavor. It can be used alone or in combination with other flavoring substances or adjuvants. It is also termed p-methoxyacetophenone.
Uses4'-Methoxyacetophenone is used as a component of perfumes and as chemical intermediate in the manufacture of pharmaceuticals, resins, flavouring agents. And also used to study ruthenium catalyzed step growth copolymerization of 4?-methoxyacetophenone with α,ω-dienes to yield copolymers.
UsesPerfumery (for floral odors), flavoring.
PreparationFrom anisole and acetyl chloride in the presence of aluminum chloride and carbon disulfide; from anisole and acetic acid in the presence of boron trifluoride.
DefinitionChEBI: A member of the class of acetophenones that is acetophenone substituted by a methoxy group at position 4.
Taste threshold valuesTaste characteristics at 10 ppm: sweet, anisic, fruity, cherry with powdery vanilla nuances.
Synthesis Reference(s)The Journal of Organic Chemistry, 46, p. 5414, 1981 DOI: 10.1021/jo00339a036
Synthetic Communications, 26, p. 291, 1996 DOI: 10.1080/00397919608003617
Tetrahedron Letters, 35, p. 9471, 1994 DOI: 10.1016/S0040-4039(00)78574-1
General Description4′-Methoxyacetophenone undergoes biocatalytic enantioselective reduction using immobilized Rhodotorula sp. AS2.2241 cells to yield (S)-1-(4-methoxyphenyl) ethanol in a hydrophilic ionic liquid-containing co-solvent system.
Flammability and ExplosibilityNot classified
Safety ProfileModerately toxic by ingestion. Human systemic effects by inhalation: pulse rate increase without fall in blood pressure and blood pressure elevation. A skin irritant. Flammable liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also KETONES.
Purification MethodsCrystallise the ketone from diethyl ether/pet ether. [Beilstein 8 IV 340.]
Tag:4'-Methoxyacetophenone(100-06-1) Related Product Information
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