4-Formyl-2,6-dimethylphenyl acetate

Base Information

• Chemical Name: 4-Formyl-2,6-dimethylphenyl acetate
• CAS No.: 95306-94-8
• Molecular Formula: C11H12O3
• Molecular Weight: 192.214
• Hs Code.: 2915390090
• DSSTox Substance ID: DTXSID40535467
• Wikidata: Q82409777
• Mol file: 95306-94-8.mol

Synonyms:4-Formyl-2,6-dimethylphenyl acetate;95306-94-8;(4-formyl-2,6-dimethylphenyl) acetate;4-Formyl-2,6-dimethylphenylacetate;CHEMBRDG-BB 9072034;SCHEMBL2392665;DTXSID40535467;MFCD08753030;AKOS006242757;F78621

Chemical Property of 4-Formyl-2,6-dimethylphenyl acetate

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Boiling Point: 292.725oC at 760 mmHg
• Flash Point: 126.492oC
• PSA: 43.37000
• Density: 1.122g/cm3
• LogP: 2.04120
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 213

Purity/Quality:

99% ^*data from raw suppliers

4-formyl-2,6-dimethylphenylacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1OC(=O)C)C)C=O

Technology Process of 4-Formyl-2,6-dimethylphenyl acetate

There total 2 articles about 4-Formyl-2,6-dimethylphenyl acetate 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: 95.0%

acetic acid-(4-bromomethyl-2,6-dimethyl-phenyl ester) (711-95-5) → 4-acetoxy-3,5-dimethyl-benzaldehyde (95306-94-8)

Guidance literature:

With dipotassium hydrogenphosphate; dimethyl selenoxide; In 1,2-dichloro-ethane; for 2.5h; Heating;

DOI:10.1055/s-1984-30956

Reference yield: 93.0%

4-hydroxy-3,5-dimethylbenzaldehyde (2233-18-3) → 4-acetoxy-3,5-dimethyl-benzaldehyde (95306-94-8)

Guidance literature:

With pyridine; acetic anhydride; In dichloromethane;

Reference yield: 98.0%

4-acetoxy-3,5-dimethyl-benzaldehyde (95306-94-8) → 4-(hydroxymethyl)-2,6-dimethylphenyl acetate (915920-75-1)

Guidance literature:

With sodium tetrahydroborate; In ethanol;

upstream raw materials:

acetic acid-(4-bromomethyl-2,6-dimethyl-phenyl ester)

4-hydroxy-3,5-dimethylbenzaldehyde

Downstream raw materials:

4-(4-acetoxy-3,5-dimethyl-benzylidene)-2-phenyl-4H-oxazol-5-one

4-(hydroxymethyl)-2,6-dimethylphenyl acetate

ethyl (E)-4-acetoxy-3,5-dimethylcinnamate