Record Information
Version1.0
Creation date2010-04-08 22:13:34 UTC
Update date2015-07-21 06:26:08 UTC
Primary IDFDB018202
Secondary Accession NumbersNot Available
Chemical Information
FooDB Name(Z)-1-(1-Ethoxyethoxy)-3-hexene
DescriptionConstit. of the volatile components of strawberries and victoria plums. Flavouring ingredient
CAS Number28069-74-1
Structure
Thumb
Synonyms
SynonymSource
(3Z)-1-(1-Ethoxyethoxy)-3-hexenebiospider
(E)-1-(1-Ethoxyethoxy)-3-hexenebiospider
(E)-1-(1-Ethoxyethoxy)hex-3-enebiospider
(Z)-1-(1-Ethoxyethoxy)hex-3-enebiospider
(Z)-1-Ethoxy-1-(3-hexenyloxy)ethanebiospider
1-(1-Ethoxyethoxy)-(3e)-3-hexeneHMDB
1-(1-Ethoxyethoxy)-(3Z)-3-hexeneHMDB
1-(1-Ethoxyethoxy)-(e)-3-hexeneHMDB
1-(1-Ethoxyethoxy)-(Z)-3-hexeneHMDB
1-(1-Ethoxyethoxy)-3-hexene, (Z)-biospider
1-Ethoxy-1-(3-hexenyloxy)-(Z)-ethaneHMDB
1-Ethoxy-1-(3-hexenyloxy)ethane, (Z)-biospider
3-Hexene, 1-(1-ethoxyethoxy)-, (3E)-biospider
3-Hexene, 1-(1-ethoxyethoxy)-, (3Z)-biospider
3-Hexene, 1-(1-ethoxyethoxy)-, (E)-biospider
3-Hexene, 1-(1-ethoxyethoxy)-, (Z)-biospider
3,5-Dioxa-4-methyl-8-cis-undecenebiospider
3,5-Dioxa-4-methyl-8-trans-undecenebiospider
3,5-Dioxa-4-methyl-8-undecene (Z)biospider
Acetaldehyde ethyl cis-3-hexenyl acetalbiospider
Acetaldehyde ethyl cis-3-hexenylacetalbiospider
Acetaldehyde ethyl trans-3-hexenyl acetalbiospider
Acetaldehyde, ethyl 3-hexenyl acetal, (Z)-biospider
Acetaldehyde, ethyl cis-3-hexenyl acetalbiospider
cis-3-Hexenyl ethyl acetalbiospider
Ethane, 1-ethoxy-1-(3-hexenyloxy)-, (Z)-biospider
Ethyl (Z)-3-hexenyl acetalbiospider
Ethyl 3-hexenyl acetal(Z)-acetaldehydeHMDB
Ethyl cis-3-hexenyl acetalbiospider
Ethyl Cis-3-hexenyl Acetal Acetaldehydebiospider
Ethyl-(cis-3-hexene)yl acetalbiospider
Leaf acetalbiospider
Leaf alcohol (ethyl) acetalbiospider
Leaf alcohol acetalbiospider
Predicted PropertiesNot Available
Chemical FormulaC10H20O2
IUPAC name
InChI IdentifierInChI=1S/C10H20O2/c1-4-6-7-8-9-12-10(3)11-5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+
InChI KeyInChIKey=PAEBAEDUARAOSG-VOTSOKGWSA-N
Isomeric SMILESCCOC(C)OCC\C=C\CC
Average Molecular Weight172
Monoisotopic Molecular Weight172
Classification
ClassificationNot classified
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionC 69.72%; H 11.70%; O 18.58%DFC
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-00dj-9000000000-6cf806fbe71972cdc865View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-00xs-9100000000-3bd3dda164b33d4e6d76View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00di-4900000000-343e87cca85686faaed2View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9200000000-416ce3cf8af880173eaaView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000w-9000000000-83bfe80a50c6ee53cb8eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-00di-5900000000-7295b9e8c7edf2015710View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0079-9200000000-2642ed16dcfda6bb3359View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-01vp-9000000000-936c675c6a836af44550View in MoNA
ChemSpider ID4576467
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID5463962
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB38783
CRC / DFC (Dictionary of Food Compounds) IDLHM70-O:LHM71-P
EAFUS ID10
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDrw1007551
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
green
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
violet
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
natural
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
leaf
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
mushroom
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
earthy
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference