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Home Other Building Blocks 4-Ethyloctanoic acid

4-Ethyloctanoic acid

CAS No.:
16493-80-4
Catalog Number:
AG001V5X
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$35
- +
5g
97%
In Stock USA
United States
$55
- +
10g
97%
In Stock USA
United States
$76
- +
25g
97%
In Stock USA
United States
$132
- +
Product Description
Catalog Number:
AG001V5X
Chemical Name:
4-Ethyloctanoic acid
CAS Number:
16493-80-4
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
MDL Number:
MFCD00506494
IUPAC Name:
4-ethyloctanoic acid
InChI:
InChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChI Key:
PWKJMPFEQOHBAC-UHFFFAOYSA-N
SMILES:
CCCCC(CCC(=O)O)CC
EC Number:
240-560-5
FEMA Number:
3800
Properties
Complexity:
121  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.146g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Synthesis and odor evaluation of five new sulfur-containing ester flavor compounds from 4-ethyloctanoic acid. Molecules (Basel, Switzerland) 20100729
Rapid synthesis of flavor compound 4-ethyloctanoic acid under microwave irradiation. International journal of molecular sciences 20100101
Substances derived from 4-ethyl octanoic acid account for primer pheromone activity for the 'male effect' in goats. The Journal of veterinary medical science 20030901
Properties