Isogeraniol

Base Information

• Chemical Name: Isogeraniol
• CAS No.: 5944-20-7
• Molecular Formula: C10H18O
• Molecular Weight: 154.252
• European Community (EC) Number: 801-691-9
• DSSTox Substance ID: DTXSID201017517
• Wikidata: Q67879956
• Metabolomics Workbench ID: 3217
• Mol file: 5944-20-7.mol

Synonyms:Isogeraniol;(Z)-iso-Geraniol;(3Z)-3,7-dimethylocta-3,6-dien-1-ol;(3Z)-3,7-Dimethyl-3,6-octadien-1-ol;3,7-Dimethyl-3Z,6-octadien-1-ol;3,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-;5944-20-7;(3Z)-isogeraniol;SCHEMBL1300875;CHEBI:144706;DTHIOPUFUOMHAY-POHAHGRESA-N;DTXSID201017517;LMFA05000127;Q67879956

Chemical Property of Isogeraniol

Chemical Property:

• Vapor Pressure: 0.011mmHg at 25°C
• Refractive Index: 1.47
• Boiling Point: 232.5°C at 760 mmHg
• PKA: 15.06±0.10(Predicted)
• Flash Point: 89.7°C
• PSA: 20.23000
• Density: 0.866g/cm³
• LogP: 2.67140
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 154.135765193
• Heavy Atom Count: 11
• Complexity: 150

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC=C(C)CCO)C
• Isomeric SMILES: CC(=CC/C=C(/C)\CCO)C

Technology Process of Isogeraniol

There total 3 articles about Isogeraniol 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:

2-methyl-1-buten-4-ol (763-32-6) + 2-methyl-3-buten-2-ol (115-18-4) → γ-geraniol (13066-51-8) + cis-isogeraniol (5944-20-7) + 2,6-dimethyl-2,5-octadien-8-ol (16750-94-0) + 3,7-dimethyl-3-(3-methyl-but-3-enyloxy)-oct-6-en-1-ol

Guidance literature:

With Montmorillonite K 10; at 20 ℃; for 216h; Further byproducts given;

DOI:10.1016/S0040-4039(03)01624-1

Reference yield:

2-methyl-1-buten-4-ol (763-32-6) + 3-methyl-2-buten-1-ol (556-82-1) → Geraniol (106-24-1) + γ-geraniol (13066-51-8) + cis-isogeraniol (5944-20-7) + 2,6-dimethyl-2,5-octadien-8-ol (16750-94-0)

Guidance literature:

With Montmorillonite K 10; at 20 ℃; for 216h; Further byproducts given;

DOI:10.1016/S0040-4039(03)01624-1

Reference yield:

2-methyl-1-buten-4-ol (763-32-6) + 2-methyl-3-buten-2-ol (115-18-4) → geraniol hydrate (27415-10-7) + γ-geraniol (13066-51-8) + cis-isogeraniol (5944-20-7) + 2,6-dimethyl-2,5-octadien-8-ol (16750-94-0)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 ℃; for 0.333333h; Product distribution; reaction with isopentenyl derivatives and their homologs in var. solvents;

DOI:10.1016/S0040-4020(88)90028-2

upstream raw materials:

2-methyl-1-buten-4-ol

2-methyl-3-buten-2-ol

3-methyl-2-buten-1-ol