Basic information Identification Description Regulatory Status Usage Natural occurrence Safety Related Supplier
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4'-Methoxyacetophenone

Basic information Identification Description Regulatory Status Usage Natural occurrence Safety Related Supplier
4'-Methoxyacetophenone Basic information
4'-Methoxyacetophenone Chemical Properties
  • Melting point:36-38 °C (lit.)
  • Boiling point:152-154 °C/26 mmHg (lit.)
  • Density 1.08
  • refractive index 1.5470 (estimate)
  • FEMA 2005 | ACETANISOLE
  • Flash point:>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
  • Water Solubility insoluble
  • Sensitive Light Sensitive
  • JECFA Number810
  • BRN 742313
  • InChIKeyNTPLXRHDUXRPNE-UHFFFAOYSA-N
  • 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
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 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
  • 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
  • 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.
  • UsesPerfumery (for floral odors), flavoring.
  • DefinitionChEBI: A member of the class of acetophenones that is acetophenone substituted by a methoxy group at position 4.
  • 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.
  • 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
  • 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.]
4'-Methoxyacetophenone Preparation Products And Raw materials
4'-Methoxyacetophenone(100-06-1)Related Product Information
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