3,4-Xylylacetaldehyde

Base Information

• Chemical Name: 3,4-Xylylacetaldehyde
• CAS No.: 68844-97-3
• Molecular Formula: C10H12O
• Molecular Weight: 148.205
• European Community (EC) Number: 272-445-0
• DSSTox Substance ID: DTXSID0052673
• Nikkaji Number: J332.640C
• Wikidata: Q81985163
• Mol file: 68844-97-3.mol

Synonyms:3,4-Xylylacetaldehyde;68844-97-3;2-(3,4-dimethylphenyl)acetaldehyde;3,4-Dimethylphenylacetaldehyde;Benzeneacetaldehyde, 3,4-dimethyl-;(3,4-Dimethylphenyl)acetaldehyde;EINECS 272-445-0;4,9-Decadienal,5,9-dimethyl;SCHEMBL2560484;DTXSID0052673;3,4-Dimethyl-benzeneacetaldehyde;MFCD02261753;AKOS011897126;3,4-DIMETHYLBENZENEACETALDEHYDE;EN300-363279;Z993017804

Chemical Property of 3,4-Xylylacetaldehyde

Chemical Property:

• Vapor Pressure: 0.0299mmHg at 25°C
• Boiling Point: 244.7°Cat760mmHg
• Flash Point: 117.1°C
• PSA: 17.07000
• Density: 0.974g/cm³
• LogP: 2.04480
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 148.088815002
• Heavy Atom Count: 11
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

(3,4-Dimethylphenyl)acetaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)CC=O)C

Technology Process of 3,4-Xylylacetaldehyde

There total 5 articles about 3,4-Xylylacetaldehyde 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:

C12H14O3 → 3,4-dimethylphenylacetaldehyde (68844-97-3)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium hydroxide / water / 5 h / 15 - 20 °C

2: potassium dihydrogenphosphate / water; dichloromethane / 5 h

With potassium dihydrogenphosphate; potassium hydroxide; In dichloromethane; water;

DOI:10.1002/adsc.201500685

Reference yield:

3,4-dimethylbenzaldehyde (5973-71-7) → 3,4-dimethylphenylacetaldehyde (68844-97-3)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium methylate / 2 h / 15 - 20 °C / Inert atmosphere

2: potassium hydroxide / water / 5 h / 15 - 20 °C

3: potassium dihydrogenphosphate / water; dichloromethane / 5 h

With potassium dihydrogenphosphate; sodium methylate; potassium hydroxide; In dichloromethane; water;

DOI:10.1002/adsc.201500685

Reference yield:

C11H11O3(1-)*K(1+) → 3,4-dimethylphenylacetaldehyde (68844-97-3)

Guidance literature:

With potassium dihydrogenphosphate; In dichloromethane; water; for 5h;

DOI:10.1002/adsc.201500685

upstream raw materials:

1-(3,4-dimethyl-phenyl)-2-methoxy-ethanol

sulfuric acid

3,4-dimethylbenzaldehyde

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