4-Methylhexanal

Base Information

• Chemical Name: 4-Methylhexanal
• CAS No.: 41065-97-8
• Molecular Formula: C7H14O
• Molecular Weight: 114.188
• Hs Code.: 2912190090
• DSSTox Substance ID: DTXSID90866031
• Nikkaji Number: J99.919I
• Mol file: 41065-97-8.mol

Synonyms:4-METHYLHEXANAL;Hexanal, 4-methyl-;41065-97-8;4-Methylhexanal #;SCHEMBL261739;DTXSID90866031;GIGNTOMJQYNUNL-UHFFFAOYSA-N;AKOS011895255

Chemical Property of 4-Methylhexanal

Chemical Property:

• Vapor Pressure: 5.92mmHg at 25°C
• Melting Point: -43.35°C (estimate)
• Refractive Index: 1.4121 (estimate)
• Boiling Point: 141.2°Cat760mmHg
• Flash Point: 32.6°C
• PSA: 17.07000
• Density: 0.805g/cm³
• LogP: 2.01160
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 114.104465066
• Heavy Atom Count: 8
• Complexity: 59.4

Purity/Quality:

4-METHYLHEXANAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)CCC=O

Technology Process of 4-Methylhexanal

There total 6 articles about 4-Methylhexanal 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: 59.0%

(10S,11R)-10,11-dihydroxy-2,6,10,14-tetramethylhexadecane (71092-37-0) → 6,10-dimethyl-undecan-2-one (1604-34-8) + 4-methylhexanal (41065-97-8)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; for 1h; Ambient temperature;

DOI:10.1021/jo00346a029

Reference yield: 33.0%

(E)-3-methyl-2-pentene (616-12-6) + carbon monoxide (201230-82-2) → 2-ethylbutyraldehyde (39992-52-4) + 4-methylhexanal (41065-97-8) + threo-2,3-dimethylpentanal (86290-33-7,3944-76-1) + erythro-2,3-dimethylpentanal (86290-35-9,3944-76-1)

Guidance literature:

With hydrogen; bis(triphenylphosphine)platinum(II) dichloride; tin(ll) chloride; In benzene; at 100 ℃; for 18h; under 60800 Torr;

DOI:10.1002/hlca.19810640620

Reference yield: 32.0%

3-Methyl-cis-2-penten (922-62-3) + carbon monoxide (201230-82-2) → 2-ethylbutyraldehyde (39992-52-4) + 4-methylhexanal (41065-97-8) + threo-2,3-dimethylpentanal (86290-33-7,3944-76-1) + erythro-2,3-dimethylpentanal (86290-35-9,3944-76-1)

Guidance literature:

With hydrogen; bis(triphenylphosphine)platinum(II) dichloride; tin(ll) chloride; In benzene; at 100 ℃; for 18h; under 60800 Torr;

DOI:10.1002/hlca.19810640620

upstream raw materials:

2,4,4,6-tetramethyl-5,6-dihydro-4H-1,3-oxazine

1-bromo-2-methyl-butane

4-methylhexan-1-ol

3-Methyl-cis-2-penten

Downstream raw materials:

2,6-Dimethyl-octansaeure-methylester