2,3-Dimethylbenzaldehyde

Base Information

• Chemical Name: 2,3-Dimethylbenzaldehyde
• CAS No.: 5779-93-1
• Molecular Formula: C9H10O
• Molecular Weight: 134.178
• Hs Code.: 29122990
• European Community (EC) Number: 611-577-9
• DSSTox Substance ID: DTXSID901346389
• Nikkaji Number: J12.779E
• Wikidata: Q82929270
• Mol file: 5779-93-1.mol

Synonyms:2,3-Dimethylbenzaldehyde;5779-93-1;Hemellitaldehyde;Benzaldehyde, dimethyl-;DIMETHYLBENZALDEHYDE;Dimethylformylbenzene;28351-09-9;MFCD00798004;o-Xylene-3-carboxaldehyde;xylene-formaldehyde;2,3-dimethyl-benzaldehyde;2,3-Dimethyl benzaldehyde;SCHEMBL29444;2,3-Dimethylbenzaldehyde, 97%;DTXSID901346389;AKOS009075841;AC-3263;CS-W011069;PS-5803;SY004732;AM20060029;D3463;FT-0601221;EN300-22063;A21260;Z147641438

Chemical Property of 2,3-Dimethylbenzaldehyde

Chemical Property:

• Appearance/Colour: colorless transparent liquid
• Vapor Pressure: 0.095mmHg at 25°C
• Refractive Index: n20/D 1.553(lit.)
• Boiling Point: 223.74 °C at 760 mmHg
• Flash Point: 95.739 °C
• PSA: 17.07000
• Density: 1.004 g/cm³
• LogP: 2.11590
• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• Solubility.: Chloroform, Methanol
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 134.073164938
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

98%, ^*data from raw suppliers

2,3-Dimethylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)C=O)C
• Uses: The major component of the umbel rays oil.

Technology Process of 2,3-Dimethylbenzaldehyde

There total 24 articles about 2,3-Dimethylbenzaldehyde 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%

(2,3-dimethylphenyl)methanol (13651-14-4) → 2,3-dimethylbenzaldehyde (5779-93-1)

Guidance literature:

With pyridinium chlorochromate;

DOI:10.1016/0040-4039(81)80176-1

Reference yield: 96.0%

2,3-dimethylbromobenzene (576-23-8) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2,3-dimethylbenzaldehyde (5779-93-1)

Guidance literature:

2,3-dimethylbromobenzene; With magnesium; In tetrahydrofuran; for 1h; Inert atmosphere; Reflux;

N,N-dimethyl-formamide; In tetrahydrofuran; at 20 ℃; for 2h; Concentration; Temperature;

Reference yield: 96.0%

C11H12 + Langlois reagent (2926-29-6) → 2,3-dimethylbenzaldehyde (5779-93-1)

Guidance literature:

With dipotassium peroxodisulfate; oxygen; silver(l) oxide; In N,N-dimethyl-formamide; at 20 ℃; Sealed tube;

DOI:10.1002/chem.201805097

upstream raw materials:

formaldehyd

hexamethylenetetramine

2,3-dimethylbenzyl chloride

formaldoxime

Downstream raw materials:

3-(2,3-Dimethylphenyl)-propensaeure

3-(2,3-dimethylphenyl)acrylic acid

(5Z,10Z,14Z,19Z)-5,10,15,20-Tetrakis-(2,3-dimethyl-phenyl)-porphyrin

cis-2,2',3-trimethylstilbene