(Z)-3-Methyl-2-octenoic acid

Base Information

• Chemical Name: (Z)-3-Methyl-2-octenoic acid
• CAS No.: 90646-67-6
• Molecular Formula: C9H16O2
• Molecular Weight: 156.2221
• NSC Number: 29888
• Nikkaji Number: J1.063.462H
• Mol file: 90646-67-6.mol

Synonyms:NSC29888;(z)-3-methyl-2-octenoicacid;(Z)-3-Methyl-2-octenoic acid;SCHEMBL15482674;90646-67-6;NSC-29888

Chemical Property of (Z)-3-Methyl-2-octenoic acid

Chemical Property:

• Vapor Pressure: 0.00367mmHg at 25°C
• Boiling Point: 260.4°Cat760mmHg
• Flash Point: 167.2°C
• Density: 0.945g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 148

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(=CC(=O)O)C
• Isomeric SMILES: CCCCC/C(=C\C(=O)O)/C

Technology Process of (Z)-3-Methyl-2-octenoic acid

There total 7 articles about (Z)-3-Methyl-2-octenoic acid 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:

3-methyl-oct-2-enenitrile (90607-85-5) → 3-methyl-oct-2-enoic acid (90646-67-6)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl

2: (saponification)

With hydrogenchloride;

Reference yield:

Ketene (463-51-4) + 2-methylhexanal (925-54-2) → 3-methyl-oct-2-enoic acid (90646-67-6)

Guidance literature:

With boron trifluoride; anfangs unter Kuehlung,dann bei Raumtemperatur,und Destillation des Reaktionsprodukts;

Reference yield:

n-pentyl methyl ketone (110-43-0) + ethyl bromoacetate (105-36-2) → 3-methyl-oct-2-enoic acid (90646-67-6)

Guidance literature:

With zinc;

upstream raw materials:

Ketene

2-methylhexanal

ethyl 3-methyloct-2-enoate

n-pentyl methyl ketone

Refernces