4-Hydroxy-3-methoxyphenylacetone

Base Information

• Chemical Name: 4-Hydroxy-3-methoxyphenylacetone
• CAS No.: 2503-46-0
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 29145090
• European Community (EC) Number: 219-704-6
• NSC Number: 16690
• UNII: 0626DKI6FE
• DSSTox Substance ID: DTXSID1075060
• Nikkaji Number: J127.114H
• Wikidata: Q27236167
• Mol file: 2503-46-0.mol

Synonyms:1-(4-hydroxy-3-methoxyphenyl)-2-propanone;HMP-one

Chemical Property of 4-Hydroxy-3-methoxyphenylacetone

Chemical Property:

• Vapor Pressure: 0.000449mmHg at 25°C
• Refractive Index: n20/D 1.55(lit.)
• Boiling Point: 305.7 °C at 760 mmHg
• PKA: 9.90±0.20(Predicted)
• Flash Point: 119.7 °C
• PSA: 46.53000
• Density: 1.138 g/cm³
• LogP: 1.53230
• Storage Temp.: Sealed in dry,Room Temperature
• Sensitive.: Air Sensitive
• Solubility.: DMSO (Sparingly), Methanol (Slightly)
• Water Solubility.: Soluble in alcohol and water, 1.101e+004 mg/L @ 25°C (est.).
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 179

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Hydroxy-3-methoxyphenylacetone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC1=CC(=C(C=C1)O)OC
• Uses: Volatile aromatic compound released from hard woods. It is often found in wine that has been aged in wood barrels contributing to the wine’s flavor profile. It is also released during combustion, giving flavor to smoked meats.

Technology Process of 4-Hydroxy-3-methoxyphenylacetone

There total 41 articles about 4-Hydroxy-3-methoxyphenylacetone 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: 99.91%

1-(4-hydroxy-3-methoxyphenyl)-propan-2-one oxime (319914-08-4) → 1-(4-hydroxy-3-methoxyphenyl)2-propanone (2503-46-0)

Guidance literature:

With sulfuric acid; In 5,5-dimethyl-1,3-cyclohexadiene; at 20 ℃; for 3h;

Reference yield: 90.0%

4-allylguaiacol (97-53-0) → 1-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyoxypropane + 1-(4-hydroxy-3-methoxyphenyl)2-propanone (2503-46-0)

Guidance literature:

Reference yield: 85.0%

4-allylguaiacol (97-53-0) → 1-(4-hydroxy-3-methoxyphenyl)-2,2-dimethoxypropane + 1-(4-hydroxy-3-methoxyphenyl)2-propanone (2503-46-0)

Guidance literature:

bis(acetonitrile)palladium(II) dichloride;

upstream raw materials:

1-acetoxy-2-methoxy-4-(3-methyl-oxiranyl)-benzene

2-methoxy-4-propenylphenol

1-(4-hydroxy-3-methoxyphenyl)propan-1,2-diol

(E)-2-methoxy-4-(2-nitroprop-1-enyl)phenol

Downstream raw materials:

1-(3-methoxy-4-acetoxyphenyl)-2-propanone

1-bromo-1-(3-methoxy,4-acetophenyl)propanone

1-(4-hydroxy-3-methoxy-phenyl)-propane-1,2-dione

2-hydroxy-1-(4-hydroxy-3-methoxy-phenyl)-propan-1-one

Refernces

• 1、 Neethu, P. P.,Sakthivel, A.,Sreenavya, A.. "Molybdate Stabilized Magnesium‐Iron Hydrotalcite Materials: Potential Catalysts for Isoeugenol to Vanillin and Olefin Epoxidation". . . Retrieved 2021/08/03.
• 2、 Cheng, Xi-Chuang,Guo, Xin-Ran,Liu, Hua-Min,Liu, Yu-Lan,Qin, Zhao,Wang, Xue-De. "Structural features and antioxidant activities of Chinese quince (Chaenomeles sinensis) fruits lignin during auto-catalyzed ethanol organosolv pretreatment". . p. 4348 - 4358. Retrieved 2020/09/22.