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2639-63-6,MFCD00048884
Catalog No.:AA002SY5
2639-63-6 | Butanoic acid, hexyl ester
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  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA002SY5
Chemical Name:
Butanoic acid, hexyl ester
CAS Number:
2639-63-6
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
MDL Number:
MFCD00048884
IUPAC Name:
hexyl butanoate
InChI:
InChI=1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3
InChI Key:
XAPCMTMQBXLDBB-UHFFFAOYSA-N
SMILES:
CCCCCCOC(=O)CCC
EC Number:
220-136-6
UNII:
74HY6P24G7
FEMA Number:
2568
Properties
Computed Properties
 
Complexity:
110  
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:
0
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

Synonyms
 
HEXYL BUTYRATE 
2639-63-6 
Hexyl butyrate (natural) 
n-Hexyl n-butyrate 
UNII-74HY6P24G7 
FEMA No. 2568 
EINECS 220-136-6 
BRN 1754469 
n-Butyric acid n-hexyl ester 
AI3-33290 
CHEBI:87559 
74HY6P24G7 
Hexyl butanoate 
butanoic acid hexyl ester 
Butyric acid hexyl 
Hexyl Butyrate Natural 
ACMC-209gr7 
AC1L2A5T 
DSSTox_CID_27559 
DSSTox_RID_82419 
DSSTox_GSID_47559 
KSC492C6B 
SCHEMBL128437 
Butanoic acid, hexyl ester 
Hexyl butyrate, >=98%, FG 
CHEMBL3182794 
DTXSID8047559 
CTK3J2160 
KS-00000ZYT 
XAPCMTMQBXLDBB-UHFFFAOYSA-N 
Hexyl butyrate, analytical standard 
ZINC2035981 
Tox21_302445 
ANW-25985 
n-Hexyl butyrate 
LMFA07010419 
MFCD00048884 
SBB061110 
AKOS015903168 
Hexyl butyrate, natural, >=98%, FG 
LS-2810 
MCULE-8350935490 
NCGC00256849-01 
AJ-33037 
AN-18891 
Butyric Acid Hexyl Ester 
CJ-07540 
CAS-2639-63-6 
RT-000326 
FT-0686710 
ST24030761 
ST51047173 
WE(6:0/4:0) 
I14-18675 
Hexylbutyrate 
Hexyl-N-butyrate 
Butyric acid, hexyl ester 
C10H20O2 
CID17525 
C10-H20-O2 
Hexyl butyrate, 98% - 25ML 25ml 
WE(10:0) 
B1891 
4-02-00-00791 (Beilstein Handbook Reference) 
n-Hexyl butanoate 
1-Hexyl butyrate 
n-Hexyl n-butanoate 
Literature

Title: Identification and field evaluation of pear fruit volatiles attractive to the oriental fruit moth, Cydia molesta.

Journal: Journal of chemical ecology 20120801

Title: Aliphatic esters as targets of esterase activity in the parsnip webworm (Depressaria pastinacella).

Journal: Journal of chemical ecology 20120201

Title: Headspace-solid phase microextraction coupled to gas chromatography-combustion-isotope ratio mass spectrometer and to enantioselective gas chromatography for strawberry flavoured food quality control.

Journal: Journal of chromatography. A 20111021

Title: 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: Journal of chemical ecology 20110901

Title: 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: Journal of chemical ecology 20110901

Title: Attraction and antennal response of the common wasp, Vespula vulgaris (L.), to selected synthetic chemicals in New Zealand beech forests.

Journal: Pest management science 20090901

Title: Bioassay screening of the essential oil and various extracts from 4 spices medicinal plants.

Journal: Pakistan journal of pharmaceutical sciences 20090701

Title: Ethyl 1-(4-methoxy-phen-yl)-2-nitro-3-[4-oxo-3-phenyl-1-(4-methoxy-phen-yl)azetidin-2-yl]-2,3,10,10a-tetra-hydro-1H,5H-pyrrolo[1,2-b]isoquinoline-10a-carboxyl-ate.

Journal: Acta crystallographica. Section E, Structure reports online 20080501

Title: Cloning, expression, and characterization of a Baeyer-Villiger monooxygenase from Pseudomonas fluorescens DSM 50106 in E. coli.

Journal: Applied microbiology and biotechnology 20070101

Title: Chemesthesis from volatile organic compounds: Psychophysical and neural responses.

Journal: Physiology & behavior 20060730

Title: Attraction of male European tarnished plant bug, Lygus rugulipennis to components of the female sex pheromone in the field.

Journal: Journal of chemical ecology 20050601

Title: Investigation of long-range female sex pheromone of the European tarnished plant bug, Lygus rugulipennis: chemical, electrophysiological, and field studies.

Journal: Journal of chemical ecology 20040801

Title: Criteria to design green enzymatic processes in ionic liquid/supercritical carbon dioxide systems.

Journal: Biotechnology progress 20040101

Title: Male-produced anti-sex pheromone in a plant bug.

Journal: Die Naturwissenschaften 20031101

Title: Volatile compounds released by disturbed and calm adults of the tarnished plant bug, Lygus lineolaris.

Journal: Journal of chemical ecology 20030401

Title: Identification of female sex pheromone of the rice leaf bug, Trigonotylus caelestialium.

Journal: Journal of chemical ecology 20011201

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