CAS 540-07-8 | Pentyl Hexanoate | CAS Number 540-07-8

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540-07-8 | Pentyl Hexanoate

CAS No: 540-07-8 Catalog No: AG003TMA MDL No:MFCD00027281

Product Description

Catalog Number:

AG003TMA

Chemical Name:

Pentyl Hexanoate

CAS Number:

540-07-8

Molecular Formula:

C11H22O2

Molecular Weight:

186.2912

MDL Number:

MFCD00027281

IUPAC Name:

pentyl hexanoate

InChI:

InChI=1S/C11H22O2/c1-3-5-7-9-11(12)13-10-8-6-4-2/h3-10H2,1-2H3

InChI Key:

WRFZKAGPPQGDDQ-UHFFFAOYSA-N

SMILES:

CCCCCOC(=O)CCCCC

EC Number:

208-732-4

UNII:

5M61M1AL1H

FEMA Number:

2074

Properties

Complexity:

121

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

186.162g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

186.295g/mol

Monoisotopic Mass:

186.162g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8

Literature

Title	Journal
Identification of fruit volatiles from green hawthorn (Crataegus viridis) and blueberry hawthorn (Crataegus brachyacantha) host plants attractive to different phenotypes of Rhagoletis pomonella flies in the southern United States.	Journal of chemical ecology 20110901
Identification of host fruit volatiles from three mayhaw species (Crataegus series Aestivales) attractive to mayhaw-origin Rhagoletis pomonella flies in the southern United States.	Journal of chemical ecology 20110901
Modelling substrate specificity and enantioselectivity for lipases and esterases by substrate-imprinted docking.	BMC structural biology 20090101
Investigations of aroma volatile biosynthesis under anoxic conditions and in different tissues of 'Redchief Delicious' apple fruit (Malus domestica Borkh.).	Journal of agricultural and food chemistry 20020424
Identification of female sex pheromone of the rice leaf bug, Trigonotylus caelestialium.	Journal of chemical ecology 20011201