sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Isopentyl cinnamate

Isopentyl cinnamate

CAS No.:
7779-65-9
Catalog Number:
AG003R27
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG003R27
Chemical Name:
Isopentyl cinnamate
CAS Number:
7779-65-9
Molecular Formula:
C14H18O2
Molecular Weight:
218.2915
MDL Number:
MFCD00026518
IUPAC Name:
3-methylbutyl (E)-3-phenylprop-2-enoate
InChI:
InChI=1S/C14H18O2/c1-12(2)10-11-16-14(15)9-8-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3/b9-8+
InChI Key:
JFHCDEYLWGVZMX-CMDGGOBGSA-N
SMILES:
CC(CCOC(=O)/C=C/c1ccccc1)C
EC Number:
231-931-2
UNII:
AB60R20S7J
FEMA Number:
2063
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
218.131g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.296g/mol
Monoisotopic Mass:
218.131g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Literature
Title Journal
Fragrance material review on isoamyl cinnamate. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20070101
Esters, amides and substituted derivatives of cinnamic acid: synthesis, antimicrobial activity and QSAR investigations. European journal of medicinal chemistry 20041001
Properties