2-Methylbenzaldehyde

Base Information

• Chemical Name: 2-Methylbenzaldehyde
• CAS No.: 529-20-4
• Molecular Formula: C8H8O
• Molecular Weight: 120.151
• Hs Code.: 29122900
• European Community (EC) Number: 208-452-2
• NSC Number: 103152
• UNII: Q7E5H6W6BG
• DSSTox Substance ID: DTXSID1022051
• Nikkaji Number: J6.680J
• Wikipedia: 2-Methylbenzaldehyde
• Wikidata: Q26828655
• Metabolomics Workbench ID: 43947
• ChEMBL ID: CHEMBL1487138
• Mol file: 529-20-4.mol

Synonyms:2-methylbenzaldehyde;o-tolualdehyde

Chemical Property of 2-Methylbenzaldehyde

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 0.315mmHg at 25°C
• Melting Point: -35 °C
• Refractive Index: n20/D 1.546(lit.)
• Boiling Point: 201 °C at 760 mmHg
• Flash Point: 79.5 °C
• PSA: 17.07000
• Density: 1.023 g/cm³
• LogP: 1.80750
• Storage Temp.: Store below +30°C.
• Sensitive.: Air Sensitive
• Solubility.: Chloroform, Methanol
• Water Solubility.: slightly soluble
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 120.057514874
• Heavy Atom Count: 9
• Complexity: 98.7

Purity/Quality:

99% ^*data from raw suppliers

o-Tolylaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 22-37/38-41-36/38
• Safety Statements: 26-39-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Benzaldehydes
• Canonical SMILES: CC1=CC=CC=C1C=O
• Uses: o-Tolylaldehyde, is a simple aromatic aldehyde that has many industrial applications, and can also be used as a building block in different chemical synthesis.

Technology Process of 2-Methylbenzaldehyde

There total 306 articles about 2-Methylbenzaldehyde 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: 91.0%

carbon monoxide (201230-82-2) + toluene (108-88-3,15644-74-3,16713-13-6) → bis(p-methylphenyl)-methanone (611-97-2) + 4,4'-dimethylbenzhydrol (885-77-8) + 4-methyl-benzaldehyde (104-87-0) + 2-methylphenyl aldehyde (529-20-4)

Guidance literature:

With hydrogen fluoride; boron trifluoride; at 45 ℃; for 1h; under 37503.8 - 60006 Torr; Further byproducts.;

DOI:10.1055/s-2006-942480

Reference yield: 79.0%

1-methyl-2-vinyl-benzene (611-15-4) → 2-methylphenyl aldehyde (529-20-4) + 2-Methylacetophenone (577-16-2,122382-54-1)

Guidance literature:

With tert.-butylhydroperoxide; air; (Pd(IiPr)Cl₂)2; silver trifluoromethanesulfonate; In methanol; at 35 ℃; for 48h;

DOI:10.1021/ja043203m

Reference yield: 28.3%

o-xylene (95-47-6) → ortho-methylbenzoic acid (118-90-1) + 2-methylbenzyl acetate (17373-93-2) + 2-methylphenyl aldehyde (529-20-4)

Guidance literature:

With Marshall's acid; copper(II) sulfate; In acetic acid; at 80 - 85 ℃; for 4h;

upstream raw materials:

ortho-methylbenzoic acid

N-chloro-succinimide

2-methyl-benzyl alcohol

trans-Crotonaldehyde

Downstream raw materials:

(E)-2-methyl-3-(o-tolyl)acrylic acid

1-methyl-3,5-bis-(2-methyl-benzylidene)-piperidin-4-one

isonicotinic acid-(2-methyl-benzylidenehydrazide)

(E)-2-(2-methylbenzylidene)cyclohexanone