5435-64-3

Basic information

• Product Name: 3,5,5-TRIMETHYLHEXANAL
• Synonyms: VANDOR B;Trimethylhexanal;3 5 5-TRIMETHYLHEXANAL 95+%;ISONONYLALDEHYD;3,5,5-TRIMETHYLHEXANAL 90+%;3,5,5- three Methylhexanal;3,5,5-Trimethyl n-hexanal;3,5,5-trimethylcapronaldehyde
• CAS NO: 5435-64-3
• Molecular Formula: C₉H₁₈O
• Molecular Weight: 142.24
• EINECS: 226-603-0
• Product Categories: Alphabetical Listings;Flavors and Fragrances;Q-Z;Aldehydes;C9;Carbonyl Compounds
• Mol File: 5435-64-3.mol
• Article Data: 10

Chemical Properties

• Melting Point: -18°C (estimate)
• Boiling Point: 67-68 °C2.5 mm Hg(lit.)
• Flash Point: 116 °F
• Appearance: /
• Density: 0.817 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.14mmHg at 25°C
• Refractive Index: n20/D 1.421(lit.)
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Water Solubility: 100mg/L at 20℃
• CAS DataBase Reference: 3,5,5-TRIMETHYLHEXANAL(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5,5-TRIMETHYLHEXANAL(5435-64-3)
• EPA Substance Registry System: 3,5,5-TRIMETHYLHEXANAL(5435-64-3)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 10-36/37/38-65-52/53-43-36/38
• Safety Statements: 16-26-36/37/39-62-36/37
• RIDADR: UN 1989 3/PG 3
• WGK Germany: 1
• RTECS: MN7820000
• HazardClass: 3.2
• PackingGroup: III
• Hazardous Substances Data: 5435-64-3(Hazardous Substances Data)

Usage

Chemical Properties

3,5,5-Trimethylhexanal has an aldehydic odor.

Uses

3,5,5-Trimethylhexanal was used in preparation of gem-dithiols via reaction with hydrogen sulfide.

Preparation

From diisobutylene via the oxo reaction.

Flammability and Explosibility

Flammable

InChI:InChI=1/C9H18O/c1-8(5-6-10)7-9(2,3)4/h6,8H,5,7H2,1-4H3

Upstream product

• 3452-97-9 isononanol 
• 99175-29-8 1,1,1-trichloro-4,6,6-trimethyl-heptan-2-ol 
• 107-39-1 2,4,4-trimethyl-1-pentene 
• 201230-82-2 carbon monoxide 
• 1378479-19-6 (5S)-5-benzyl-2-(2,4,4-trimethylpentyl)imidazolidin-4-one 
• 1378479-18-5 (5S)-5-methyl-2-(2,4,4-trimethylpentyl)imidazolidin-4-one 
• 1378479-17-4 (+/-)-2-(2,4,4-trimethylpentyl)imidazolidin-4-one 
• 1378479-42-5 3-methyl-2-(2,4,4-trimethylpentyl)oxazolidine 
• 111-66-0 oct-1-ene 
• 3378-63-0 3,5,5-trimethylhexylamine 
• 3378-76-5 (3,5,5-trimethyl-hexyl)-(3,5,5-trimethyl-hexylidene)-amine 

Downstream Products

• 6284-82-8 2.2.4.8.10.10-hexamethyl-5-formyl-undecene-(5) 
• 3452-97-9 isononanol 
• 22414-70-6 2-methylidene-3,5,5-trimethylhexanal 
• 1094347-77-9 1-(4-methoxyphenyl)-3,5,5-trimethylhexan-1-one 
• 1378479-19-6 (5S)-5-benzyl-2-(2,4,4-trimethylpentyl)imidazolidin-4-one 
• 1567919-64-5 C₂₄H₄₆N₂ 
• 1281969-69-4 2,4-dimethylbenzyl 3,5,5-trimethylhexanoate 
• 1271736-30-1 C₂₉H₄₂N₂ 
• 59219-71-5 3,5,5-trimethylhexyl 3,5,5-trimethylhexanoate 

Relevant articles and documents

Pd-Catalyzed Dehydrogenative Oxidation of Alcohols to Functionalized Molecules

A dehydrogenative oxidation reaction of primary alcohols to aldehydes catalyzed by a simple Pd/Xantphos catalytic system was developed under an argon or nitrogen atmosphere without oxidizing agents or hydrogen acceptors. The reaction product could be easily changed: under aerobic conditions, esters were obtained in aprotic solvents, whereas the corresponding carboxylic acids were produced in aqueous media. These oxidizing processes were applicable to the efficient synthesis of useful nitrogen-containing heterocyclic compounds such as indole, quinazoline, and benzimidazole via intramolecular versions of this reaction from amino alcohols.

Selective hydroformylation of olefins over the rhodium supported large porous metal-organic framework MIL-101

Highly porous and crystalline metal-organic framework MIL-101 has been synthesized and used for the preparation of rhodium supported catalyst. Acetylacetonato(1,5-cyclooctadiene)rhodium(I) has been used as catalyst precursor. The material has been characterized by XRD, XPS, SAXS, FTIR, SEM, TEM, AAS, and nitrogen adsorption. The catalytic properties of Rh@MIL-101 have been investigated in the hydroformylation of olefins with different structure and chain length to the corresponding aldehydes. High conversion and selectivity to n-aldehydes have been achieved in the hydroformylation of n-alk-1-enes. The obtained results show that the rhodium species are highly dispersed and preferentially located at internal and less accessible sites at the supertetrahedral units.

PROCESS AND DEVICE FOR THE OXIDATION OF ORGANIC COMPOUNDS

The invention relates to a process for the oxidation of organic compounds by means of oxygen, in which, in a first step, the organic compound and at least part of the oxygen required for the oxidation are introduced into a first reaction zone which is operated isothermally and with backmixing and, in a second step, the reaction mixture from the first reaction zone is introduced into a second reaction zone which is operated adiabatically. The invention further relates to a reactor for carrying out the process, which comprises at least one isothermal reaction zone (3, 5) and an adiabatic reaction zone (7) which are arranged in a reactor shell (8), with each isothermal reaction zone (3, 5) being configured in the form of a jet loop reactor and the adiabatic reaction zone (7) being configured as a bubble column.