Isoamyl geranate

Base Information

• Chemical Name: Isoamyl geranate
• CAS No.: 68133-73-3
• Molecular Formula: C15H26O2
• Molecular Weight: 238.41
• European Community (EC) Number: 268-700-0
• DSSTox Substance ID: DTXSID00887176
• Nikkaji Number: J65.640B
• Mol file: 68133-73-3.mol

Synonyms:Isoamyl geranate;68133-73-3;Iso-amyl geranyl;EINECS 268-700-0;2,6-Octadienoic acid, 3,7-dimethyl-, 3-methylbutyl ester, (2E)-;3-methylbutyl (2E)-3,7-dimethylocta-2,6-dienoate;3-Methylbutyl (E)-3,7-dimethylocta-2,6-dienoate;(E)-3,7-Dimethyl-2,6-octadienoic acid isopentyl ester;2,6-Octadienoic acid, 3,7-dimethyl-, 3-methylbutyl ester, (E)-;2,6-OCTADIENOIC ACID, 3,7-DIMETHYL-, ISOPENTYL ESTER, (E)-;SCHEMBL3505297;DTXSID00887176;UYYJNVGFCCTXSK-SDNWHVSQSA-N;LS-97793;3 - methylbutyl (E) - 3,7 - dimethylocta - 2,6 - dienoate

Chemical Property of Isoamyl geranate

Chemical Property:

• Vapor Pressure: 0.000489mmHg at 25°C
• Refractive Index: 1.4700 (estimate)
• Boiling Point: 313.7°Cat760mmHg
• Flash Point: 143.4°C
• PSA: 26.30000
• Density: 0.893g/cm³
• LogP: 4.26840
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 238.193280068
• Heavy Atom Count: 17
• Complexity: 281

Purity/Quality:

98.5% ^*data from raw suppliers

ISOAMYL GERANATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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