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Home Carboxys Ethyl cyclohexanecarboxylate

Ethyl cyclohexanecarboxylate

CAS No.:
3289-28-9
Catalog Number:
AG003P4L
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$69
- +
10g
98%
In Stock USA
United States
$125
- +
25g
98%
In Stock USA
United States
$250
- +
100g
98%
In Stock USA
United States
$800
- +
Product Description
Catalog Number:
AG003P4L
Chemical Name:
Ethyl cyclohexanecarboxylate
CAS Number:
3289-28-9
Molecular Formula:
C9H16O2
Molecular Weight:
156.2221
MDL Number:
MFCD00041734
IUPAC Name:
ethyl cyclohexanecarboxylate
InChI:
InChI=1S/C9H16O2/c1-2-11-9(10)8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChI Key:
JJOYCHKVKWDMEA-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCCC1
EC Number:
221-945-7
UNII:
87937T10YQ
NSC Number:
5298
FEMA Number:
3544
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.115g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
156.225g/mol
Monoisotopic Mass:
156.115g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
The chemical characterization of the aroma of dessert and sparkling white wines (Pedro Ximénez, Fino, Sauternes, and Cava) by gas chromatography-olfactometry and chemical quantitative analysis. Journal of agricultural and food chemistry 20080409
Solid phase extraction, multidimensional gas chromatography mass spectrometry determination of four novel aroma powerful ethyl esters. Assessment of their occurrence and importance in wine and other alcoholic beverages. Journal of chromatography. A 20070126
Multidimensional chromatographic approach applied to the identification of novel aroma compounds in wine. Identification of ethyl cyclohexanoate, ethyl 2-hydroxy-3-methylbutyrate and ethyl 2-hydroxy-4-methylpentanoate. Journal of chromatography. A 20061229
Properties