Cyclopentaneacetic acid, 3-oxo-2-pentyl-, propyl ester

Base Information

• Chemical Name: Cyclopentaneacetic acid, 3-oxo-2-pentyl-, propyl ester
• CAS No.: 158474-72-7
• Molecular Formula: C15H26 O3
• Molecular Weight: 254.37
• European Community (EC) Number: 605-149-0
• DSSTox Substance ID: DTXSID30870056
• Mol file: 158474-72-7.mol

Synonyms:158474-72-7;Prohydrojasmon racemate;Cyclopentaneacetic acid, 3-oxo-2-pentyl-, propyl ester;PROPYL 2-(3-OXO-2-PENTYLCYCLOPENTYL)ACETATE;propyl dihydrojasmonate;Prohydrojasmon (racemate);Prohydrojasmon, isomer 1;SCHEMBL3245957;DTXSID30870056;IPDFPNNPBMREIF-UHFFFAOYSA-N;propyl-3-oxo-2-pentylcyclo-pentylacetate;AS-69767;Propyl (3-oxo-2-pentylcyclopentyl)acetate;HY-112101;CS-0043350

Chemical Property of Cyclopentaneacetic acid, 3-oxo-2-pentyl-, propyl ester

Chemical Property:

• Vapor Pressure: 8.76E-05mmHg at 25°C
• Refractive Index: 1.455
• Boiling Point: 340.2°Cat760mmHg
• Flash Point: 145.3°C
• PSA: 43.37000
• Density: 0.967g/cm³
• LogP: 3.50530
• Storage Temp.: 0-6°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 254.18819469
• Heavy Atom Count: 18
• Complexity: 273

Purity/Quality:

98%, ^*data from raw suppliers

Propyl2-(3-oxo-2-pentylcyclopentyl)acetate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC1C(CCC1=O)CC(=O)OCCC