Linalyl phenylacetate

Base Information

• Chemical Name: Linalyl phenylacetate
• CAS No.: 7143-69-3
• Molecular Formula: C18H24 O2
• Molecular Weight: 272.42
• European Community (EC) Number: 230-444-2
• NSC Number: 72028
• UNII: N73NNZ8H94
• DSSTox Substance ID: DTXSID90864012
• Nikkaji Number: J227.391H
• Wikidata: Q27284652
• Metabolomics Workbench ID: 47691
• Mol file: 7143-69-3.mol

Synonyms:3,7-dimethyl-1,6-octadien-3-yl phenylacetate;linalyl phenylacetate

Chemical Property of Linalyl phenylacetate

Chemical Property:

• Vapor Pressure: 5.87E-05mmHg at 25°C
• Refractive Index: 1.5510 (estimate)
• Boiling Point: 346.2°C at 760 mmHg
• Flash Point: 106.5°C
• PSA: 26.30000
• Density: 0.975g/cm³
• LogP: 4.46340
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 272.177630004
• Heavy Atom Count: 20
• Complexity: 346

Purity/Quality:

99%, ^*data from raw suppliers

LINALYL PHENYL ACETATE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(C)(C=C)OC(=O)CC1=CC=CC=C1)C
• Description: Linalyl phenylacetate has a mildly floral, intensely sweet Neroli rose type odor. May be synthesized from dehydrolinalool and methyl phenylacetate in the presence of sodium methylate catalyst, followed by hydrogenation of the ester, or by any other suitable means.