| 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;Para Methoxyl Acetophenone;ACETANISOLE 98+% FCC;4-Methoxyacetophenone,>99%;Epenone;P-METHOXY ACETOPLENONE;PARA-METHOXYACETONPHENONE |
| CAS: | 100-06-1 |
| MF: | C9H10O2 |
| MW: | 150.17 |
| EINECS: | 202-815-9 |
| Product Categories: | Azetidines;Acetophenones (Building Blocks for Liquid Crystals);FINE Chemical & INTERMEDIATES;Aromatic Acetophenones & Derivatives (substituted);Building Blocks for Liquid Crystals;Functional Materials;Acetophenone Series;100-06-1;bc0001 |
| Mol File: | 100-06-1.mol |
| 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 |
| Water Solubility | insoluble |
| Sensitive | Light Sensitive |
| JECFA Number | 810 |
| BRN | 742313 |
| InChIKey | NTPLXRHDUXRPNE-UHFFFAOYSA-N |
| LogP | 1.79 at 20℃ |
| CAS DataBase Reference | 100-06-1(CAS DataBase Reference) |
| NIST Chemistry Reference | Acetophenone, 4'-methoxy-(100-06-1) |
| EPA Substance Registry System | 4'-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 Data | 100-06-1(Hazardous Substances Data) |
| toxicity | The 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 |
| Provider | Language |
|---|---|
| 4'-Methoxyacetophenone | English |
| SigmaAldrich | English |
| ACROS | English |
| ALFA | English |
| 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
|
| Description | Yellowish-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 Status | CoE: 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). |
| Usage | Reported 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 occurrence | Reported 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 Properties | WHITE CRYSTALS OR CRYSTALLINE POWDER |
| Chemical Properties | 4-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 Properties | Yellowish-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 |
| Occurrence | Reported 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.). |
| Uses | 4'-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. |
| Uses | 4'-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. |
| Uses | Perfumery (for floral odors), flavoring. |
| Definition | ChEBI: A member of the class of acetophenones that is acetophenone substituted by a methoxy group at position 4. |
| Preparation | From 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 values | Taste 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/jo00339a036Synthetic Communications, 26, p. 291, 1996 DOI: 10.1080/00397919608003617Tetrahedron Letters, 35, p. 9471, 1994 DOI: 10.1016/S0040-4039(00)78574-1 |
| General Description | 4′-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 Explosibility | Notclassified |
| Safety Profile | Moderately 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 Methods | Crystallise the ketone from diethyl ether/pet ether. [Beilstein 8 IV 340.] |
| 4'-Methoxyacetophenone Preparation Products And Raw materials |
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