4-Methyl-3-decene-5-ol

Base Information

• Chemical Name: 4-Methyl-3-decene-5-ol
• CAS No.: 81782-77-6
• Molecular Formula: C₁₁H₂₂O
• Molecular Weight: 170.295
• DSSTox Substance ID: DTXSID8052560
• Mol file: 81782-77-6.mol

Synonyms:4-methyl-3-decene-5-ol;DTXSID8052560;FT-0652921

Chemical Property of 4-Methyl-3-decene-5-ol

Chemical Property:

• Vapor Pressure: 0.0107mmHg at 25°C
• Refractive Index: 1.452
• Boiling Point: 232.9 °C at 760 mmHg
• PKA: 14.93±0.20(Predicted)
• Flash Point: 100 °C
• PSA: 20.23000
• Density: 0.845 g/cm³
• LogP: 3.28390
• Water Solubility.: 63mg/L at 20℃
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 170.167065321
• Heavy Atom Count: 12
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

4-Methyldec-3-en-5-ol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C(=CCC)C)O

Technology Process of 4-Methyl-3-decene-5-ol

There total 6 articles about 4-Methyl-3-decene-5-ol 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: 68.0%

1-Bromopentane (110-53-2) + (E)-2-methylpent-2-enal (623-36-9) → undecavertol (177772-08-6,81782-77-6)

Guidance literature:

1-Bromopentane; With magnesium; In diethyl ether;

(E)-2-methylpent-2-enal; In diethyl ether; for 1h; Heating;

DOI:10.1016/j.tetasy.2005.04.022

Reference yield:

undecavertol (177772-08-6,81782-77-6) → (5R,3E)-4-methyl-3-decen-5-ol (81782-77-6) + undecavertone

Guidance literature:

With β-nicotinamide adenine dinucleotide phosphate disodium salt; oxygen; alcohol dehydrogenase ADH-87; Streptococcus mutans NAD(P)H oxidase SmNOX; In aq. buffer; at 30 ℃; for 24h; pH=8; Reagent/catalyst; Concentration; Temperature; pH-value; Enzymatic reaction;

DOI:10.1021/acs.oprd.1c00415

Reference yield:

vinyl acetate (108-05-4,9003-20-7) + undecavertol (177772-08-6,81782-77-6) → (5S,3E)-4-methyl-3-decen-5-ol (81782-77-6) + (5S,3E)-4-methyl-3-decen-5-yl acetate + (5R,3Z)-4-methyl-3-decen-5-yl acetate + (5R,3E)-4-methyl-3-decen-5-yl acetate

Guidance literature:

Burkholderia cepacia lipase PS; In various solvent(s); at 20 ℃; for 144h; Further byproducts given. Title compound not separated from byproducts;

DOI:10.1016/j.tetasy.2005.04.022

upstream raw materials:

1-Bromopentane

(E)-2-methylpent-2-enal

undecavertol

vinyl acetate

Refernces

• 1、 Abate, Agnese,Brenna, Elisabetta,Fregosi, Ginevra. "Bio-catalysed synthesis of optically active Undecavertol enantiomers". . p. 1997 - 1999. Retrieved 2007/10/03.
• 2、 -. "Beta-ketoester compounds". . . Retrieved 2008/06/13.