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ScientificNameLabel
cis-hexenylbutyrate
PHCD compound ID : 639
Chemical Names :
(Z)-3-hexenyl butanoate , (Z)-3-Hexenyl butyrate , cis-Hex-3-enyl butanoate , (Z)-3-Hexen-1-yl butanoate , cis-hexenylbutyrate , cis-Hex-3-enyl butyrate , (Z)-Hex-3-en-1-yl butanoate , cis-3-Hexenyl butanoate
Molecular Formula : C10H18O2
Molecular Weight : 170.13068
More Details :
Names & Synonyms: [(Z)-hex-3-enyl] butanoate , butanoic acid [(Z)-hex-3-enyl] ester , butyric acid [(Z)-hex-3-enyl] ester
Smiles: CC/C=C\CCOC(=O)CCC
InChi : InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5-
InChi Key : InChIKey=ZCHOPXVYTWUHDS-WAYWQWQTSA-N
PubChem ID : 5352438
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.659388
Hydrogen bond donor count : 0 Electric dipole moment : 1.480
XLogP : 3.035 VDW volume : 193.823841
Molecular weight : 170.13068 HOMO-LUMO gap : 10.856000
Herb list :
Refrences & Litretures:
  
38.      Journal:'J. Agric. Food Chem'      Year:'2009'      Volume:'57'      Page:'3818'      DOI:'10.1021/jf803471n'      Title:'Evolution of Volatile Compounds during the Development of Cabernet Sauvignon Grapes (Vitis vinifera L.)'
199.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'602'      DOI:'10.1080/0972060X.2012.10644094'      Title:'Changes in Essential Oil Composition During Pistacia vera Leaves Development in Sfax Region (Tunisia)'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
485.      Journal:'J Chem Ecol'      Year:'2006'      Volume:'32'      Page:'2303'      DOI:'10.1007/s10886-006-9146-4'      Title:'Volatile Emissions from Aesculus hippocastanum Induced by Mining of Larval Stages of Cameraria ohridella Influence Oviposition by Conspecific Females'
563.      Journal:'??????'      Year:'2009'      Volume:'31'      Page:'77'      DOI:''      Title:'Essential Oil Compositions and Bioactivities of the Various Pa r t s of Cinnamomum camphora Sieb. var. linaloolifera Fujuta'
624.      Journal:'Food Chemistry 102 (2007) 1131'      Year:'2007'      Volume:'102'      Page:'1131'      DOI:'10.1016/j.foodchem.2006.06.046'      Title:'Changes on essential oil composition of coriander (Coriandrum sativum L.) fruits during three stages of maturity'
773.      Journal:'CHEMISTRY & BIODIVERSITY'      Year:'2012'      Volume:'9'      Page:'359'      DOI:'10.1002/cbdv.201100326'      Title:'Determination of the Volatile Fraction of Polygonum bistorta L. at Different Growing Stages and Evaluation of Its Antimicrobial Activity against Two Major Honeybee (Apis mellifera) Pathogens'
775.      Journal:'J. BioSci. Biotech'      Year:'2013'      Volume:'2'      Page:'39'      DOI:''      Title:'Chemical composition and antifungal activity of essential oil of Salvia sclarea L. from Bulgaria against clinical isolates of Candida species'
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