3-Methyl-5-hexen-3-ol

Base Information

• Chemical Name: 3-Methyl-5-hexen-3-ol
• CAS No.: 1569-44-4
• Molecular Formula: C7H14 O
• Molecular Weight: 114.188
• Hs Code.: 2905290000
• European Community (EC) Number: 620-784-3
• DSSTox Substance ID: DTXSID00935560
• Nikkaji Number: J1.131.651D
• Mol file: 1569-44-4.mol

Synonyms:3-Methyl-5-hexen-3-ol;3-methylhex-5-en-3-ol;1569-44-4;5-HEXEN-3-OL, 3-METHYL-;Methylaethylallylcarbinol;Methylethylallylcarbinol;Methylaethylallylcarbinol [German];BRN 1699173;AI3-28625;3-Methyl-5-hexene-3-ol;SCHEMBL336188;DTXSID00935560;3-Methyl-5-hexen-3-ol, 98%;MFCD00021826;AKOS015916670;SB84475;AS-43548;LS-75603;FT-0694654;J-009358

Chemical Property of 3-Methyl-5-hexen-3-ol

Chemical Property:

• Vapor Pressure: 1.54mmHg at 25°C
• Melting Point: 26°C (estimate)
• Refractive Index: n20/D 1.437(lit.)
• Boiling Point: 149.5°Cat760mmHg
• PKA: 15.17±0.29(Predicted)
• Flash Point: 53.1°C
• PSA: 20.23000
• Density: 0.835g/cm³
• LogP: 1.72350
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 114.104465066
• Heavy Atom Count: 8
• Complexity: 78.5

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Methyl-5-hexen-3-ol ^*data from reagent suppliers

Safty Information:

• Statements: 10

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(CC=C)O

Technology Process of 3-Methyl-5-hexen-3-ol

There total 15 articles about 3-Methyl-5-hexen-3-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: 99.0%

allyl bromide (106-95-6) + butanone (78-93-3) → Methylethylallylcarbinol (1569-44-4)

Guidance literature:

With tin(ll) chloride; zinc; In water; for 2.5h;

DOI:10.1016/j.tetlet.2004.05.070

Reference yield: 97.0%

Diallyltin(IV) dibromide (17381-88-3) + butanone (78-93-3) → Methylethylallylcarbinol (1569-44-4)

Guidance literature:

In water; Ambient temperature;

DOI:10.1021/jo9901337

Reference yield: 92.0%

3-chloroprop-1-ene (107-05-1) + butanone (78-93-3) → Methylethylallylcarbinol (1569-44-4)

Guidance literature:

With copper; tin(ll) chloride; In water; at 20 ℃; for 3h;

DOI:10.1016/S0040-4039(02)02370-5

upstream raw materials:

ethylmagnesium iodide

Cyclopropyl methyl ketone

diethyl ether

3-Methyl-5-hexyn-3-ol

Downstream raw materials:

3-hydroxy-3-methylpentanoic acid

5-ethyl-5-methyl-tetrahydro-furan-3-ol

oxalic acid

butanone

Refernces

• 1、 Garibyan,Makaryan,Ogannisyan,Chobanyan. "Hydroalumination of terminal β-acetylene alcohols with lithium aluminum hydride". . p. 267 - 272. Retrieved 2016/04/20.
• 2、 Slaton, Rahiem,Petrone, Adam,Manchanayakage, Renuka. "Tin mediated Barbier type allylation in ionic liquids". experimental part. p. 5073 - 5076. Retrieved 2011/10/09.