2,6-Trimethylbenzaldoxime

Base Information

• Chemical Name: 2,6-Trimethylbenzaldoxime
• CAS No.: 40188-34-9
• Molecular Formula: C10H13NO
• Molecular Weight: 163.219
• NSC Number: 138982
• DSSTox Substance ID: DTXSID60418728
• Nikkaji Number: J2.696.432F
• Mol file: 40188-34-9.mol

Synonyms:2,6-Trimethylbenzaldoxime;NSC138982;40188-34-9;(NE)-N-[(2,4,6-trimethylphenyl)methylidene]hydroxylamine;2,6-Trimethylbenzaldehyde oxime;DTXSID60418728;Benzaldehyde,4,6-trimethyl-, oxime;NSC-138982;2,4,6-Trimethylbenzaldehyde (Z)-oxime;Benzaldehyde, 2,4,6-trimethyl-, oxime;EN300-266355;N-[(2,4,6-trimethylphenyl)methylidene]hydroxylamine

Chemical Property of 2,6-Trimethylbenzaldoxime

Chemical Property:

• Vapor Pressure: 0.00662mmHg at 25°C
• Refractive Index: 1.513
• Boiling Point: 259.4 °C at 760 mmHg
• Flash Point: 149.1 °C
• Density: 0.99 g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 163.099714038
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)C=NO)C
• Isomeric SMILES: CC1=CC(=C(C(=C1)C)/C=N/O)C

Technology Process of 2,6-Trimethylbenzaldoxime

There total 4 articles about 2,6-Trimethylbenzaldoxime 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: 80.0%

(trichloromethyl)mesitylene (707-74-4) → 2,4,6-trimethylbenzaldehyde oxime (40188-34-9)

Guidance literature:

With pyridine; hydroxylamine hydrochloride; for 1h; Heating;

DOI:10.1016/S0040-4020(01)90502-2

Reference yield: 45.0%

(trichloromethyl)mesitylene (707-74-4) → cyanomesitylene (2571-52-0) + 2,4,6-trimethylbenzaldehyde oxime (40188-34-9)

Guidance literature:

With pyridine; hydroxylamine hydrochloride; for 2h; Heating;

DOI:10.1016/S0040-4020(01)90502-2

Reference yield: 32.0%

nitromethane (75-52-5) + 1,3,5-trimethyl-benzene (108-67-8) → 2,4,6-trimethylbenzaldehyde oxime (40188-34-9)

Guidance literature:

With aluminium trichloride; at 70 - 80 ℃; for 4h;

DOI:10.1080/00397919508015855

upstream raw materials:

(trichloromethyl)mesitylene

nitromethane

1,3,5-trimethyl-benzene

Downstream raw materials:

mesitonitrile oxide

C₁₀H₁₂NO

2,4,6-trimethylbenzohydroximoyl chloride

mesitylenecarbonitrile oxide