6-Methylheptanal

Base Information

• Chemical Name: 6-Methylheptanal
• CAS No.: 63885-09-6
• Molecular Formula: C₈H₁₆O
• Molecular Weight: 128.214
• European Community (EC) Number: 258-146-8
• UNII: F9U11Z3D65
• DSSTox Substance ID: DTXSID9068798
• Nikkaji Number: J73.612K
• Wikidata: Q27277861
• Mol file: 63885-09-6.mol

Synonyms:6-Methylheptanal;Isooctan-1-al;63885-09-6;Isooctanal;6-Methyl heptanal;Isocaprylic aldehyde;Heptanal, 6-methyl-;52738-99-5;FEMA No. 4498;UNII-F9U11Z3D65;F9U11Z3D65;EINECS 258-146-8;isooctane-ether;starbld0003709;SCHEMBL1409410;DTXSID9068798;AKOS013847436;FT-0671808;EN300-1870089;W-111056;Q27277861

Chemical Property of 6-Methylheptanal

Chemical Property:

• PSA: 17.07000
• LogP: 2.40170
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 67

Purity/Quality:

99% ^*data from raw suppliers

6-Methylheptanal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CCCCC=O
• Uses: An intermediate in the synthesis of Butanolide isolated from a marine actinomycete.

Technology Process of 6-Methylheptanal

There total 7 articles about 6-Methylheptanal 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: 87.0%

1-bromo-6-methylheptane (52648-04-1) → 6-methyl-heptanal (63885-09-6,117692-89-4)

Guidance literature:

With dimethyl sulfoxide; for 0.0569444h; Microwave irradiation;

Reference yield:

cis-2-Methyl-7-octadecen (35354-39-3) → 5-methylhexanal (1860-39-5) + Dodecanal (112-54-9) + 6-methyl-heptanal (63885-09-6,117692-89-4) + 7-methyloctanal (49824-43-3)

Guidance literature:

Yield given. Multistep reaction. Further byproducts given. Title compound not separated from byproducts;

DOI:10.1007/BF00565169

Reference yield:

cis-2-Methyl-7-octadecen (35354-39-3) → Dodecanal (112-54-9) + 6-methyl-heptanal (63885-09-6,117692-89-4) + 7-methyloctanal (49824-43-3) + undecylaldehyde (112-44-7)

Guidance literature:

Yield given. Multistep reaction. Further byproducts given. Title compound not separated from byproducts;

DOI:10.1007/BF00565169

upstream raw materials:

2-(4-methylpentyl)oxirane

6-methylhept-1-ene

cis-2-Methyl-7-octadecen

(7S,8R)-cis-7,8-epoxy-2-methyloctadecane

Downstream raw materials:

(2S-cis)-7,8-epoxy-2-methyloctadecane

(2R,3S)-2-Decyl-3-(5-methyl-hexyl)-2-(toluene-4-sulfinyl)-oxirane

(2R,3R)-2-Decyl-3-(5-methyl-hexyl)-2-(toluene-4-sulfinyl)-oxirane

(3R,5S)-3-((R)-1-Hydroxy-6-methyl-heptyl)-5-trityloxymethyl-dihydro-furan-2-one