2'-Methylacetophenone

Base Information

• Chemical Name: 2'-Methylacetophenone
• CAS No.: 577-16-2
• Deprecated CAS: 1321-47-7
• Molecular Formula: C₉H₁₀O
• Molecular Weight: 134.178
• Hs Code.: 29143990
• European Community (EC) Number: 209-408-5,247-691-7
• NSC Number: 84233
• UNII: 23O5EV975S
• DSSTox Substance ID: DTXSID501015360
• Nikkaji Number: J45.639J
• Wikidata: Q27253770
• Mol file: 577-16-2.mol

Synonyms:2'-METHYLACETOPHENONE;577-16-2;2-Methylacetophenone;1-(o-Tolyl)ethanone;2-Acetyltoluene;o-Methylacetophenone;1-(2-Methylphenyl)ethanone;o-Acetyltoluene;2'-Methylacetylphenone;Ethanone, 1-(2-methylphenyl)-;Methyl o-tolyl ketone;1-(2-methylphenyl)ethan-1-one;Acetophenone, 2'-methyl-;1-o-tolylethanone;methyl 2-methylphenyl ketone;1-(Methylphenyl)ethan-1-one;1-o-Tolyl-ethanone;o-Methyl acetophenone;ortho-methylacetophenone;2'-methyl-acetophenone;1-(2-Tolyl)ethanone;MFCD00008734;NSC 84233;26444-19-9;Ethanone, 1-(methylphenyl)-;UNII-23O5EV975S;23O5EV975S;EINECS 209-408-5;EINECS 247-691-7;NSC-84233;methyl tolyl ketone;NSC84233;1-(o-tolyl)-ethanone;2\'-Methylacetophenone;ortho-methyl acetophenone;ortho-methylphenylethanone;Acetophenone, ar-methyl-;1-(Methylphenyl)-Ethanone;1-(o-tolyl)ethan-1-one;2?-METHYLACETOPHENONE;1-(2-Methylphenyl)-Ethanone;2'-Methylacetophenone, 98%;SCHEMBL112406;1-(2-Methyl-phenyl)-ethanone;FEMA NO. 4316;2'-Methylacetophenone, >=98%;CHEBI:145958;DTXSID501015360;Acetophenone, 2'-methyl- (8CI);2-METHYLACETOPHENONE [FHFI];STR03226;2-METHYLPHENYL METHYL KETONE;AC7820;STL146529;AKOS000120656;CS-W013374;HY-W012658;Ethanone, 1-(2-methylphenyl)- (9CI);AC-15885;SY002283;A8219;AM20040758;FT-0613001;M0172;EN300-20993;2 inverted exclamation mark -Methylacetophenone;W-105445;2'-Methylacetophenone, Vetec(TM) reagent grade, 98%;Q27253770;F0001-1503

Chemical Property of 2'-Methylacetophenone

Chemical Property:

• Appearance/Colour: clear colourless to light yellow liquid
• Melting Point: 107-108 °C
• Refractive Index: n20/D 1.5318(lit.)
• Boiling Point: 214 °C at 760 mmHg
• Flash Point: 80.6 °C
• PSA: 17.07000
• Density: 0.977 g/cm³
• LogP: 2.19760
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• Water Solubility.: Soluble in ethanol. Insoluble in water.
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 134.073164938
• Heavy Atom Count: 10
• Complexity: 129

Purity/Quality:

99% ^*data from raw suppliers

o-Acetyltoluene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aromatic Ketones
• Canonical SMILES: CC1=CC=CC=C1C(=O)C
• Description: 2’-methylacetophenone is a colorless to pale yellow clear liquid. It has sweet, hawthorn, powdery, anisic, coumarinic, phenolic, burnt, nutty, honey aroma. It is used as an odor and/or flavor in acacia, butterscotch, black currant, grape, vanilla, etc.
• Uses: 2'-Methylacetophenone is possiblely used in Vanilla, cherry, almond, coumarin and various nut nuances.

Technology Process of 2'-Methylacetophenone

There total 140 articles about 2'-Methylacetophenone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

1-O-tolyl-ethanol (7287-82-3) → 2-Methylacetophenone (577-16-2,122382-54-1)

Guidance literature:

With C₅₃H₄₆ClN₃P₂Ru; potassium tert-butylate; acetone; at 56 ℃; for 0.0833333h; under 750.075 Torr;

DOI:10.1002/chem.201201938

Reference yield: 95.0%

7-methylbicyclo[4.2.0]octa-1,3,5-trien-7-ol (19164-60-4) → 2-Methylacetophenone (577-16-2,122382-54-1)

Guidance literature:

With tert.-butyl lithium; In tetrahydrofuran; at 25 ℃; for 0.25h;

DOI:10.1002/hlca.19980810207

Reference yield: 93.0%

1-methyl-2-(prop-1-en-2-yl)benzene (7399-49-7) → 2-Methylacetophenone (577-16-2,122382-54-1)

Guidance literature:

With ozone; In methanol; at 20 ℃; for 2.91667h;

DOI:10.1021/ol100322t

upstream raw materials:

methyl magnesium iodide

2-Methylbenzonitrile

1-methyl-2-(prop-1-en-2-yl)benzene

methylmagnesium bromide

Downstream raw materials:

1-(2-methyl-phenyl)-3-phenyl-2-propen-1-one

4-(2-methylphenyl)-1,3-thiazol-2-amine

2'-methylacetophenone 2,4-dinitrophenylhydrazone

2-(2-methylphenyl)propan-2-ol

Refernces

• 1、 Huo, Jie,Xiong, Daokai,Xu, Jun,Yue, Xiaoguang,Zhang, Pengfei,Zhang, Yilan. "Selective oxidation of alkenes to carbonyls under mild conditions". supporting information. p. 5549 - 5555. Retrieved 2021/08/16.
• 2、 -. "Method for preparing carbonyl compound through oxidative cleavage of visible light excitation aqueous solution quantum dot catalytic olefin compound". Paragraph 0037. . Retrieved 2021/11/10.