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Trans-4,5-Epoxy- (E) -2-decenal

CAT: 0804-HY-120893Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-120893Size:1 Each
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Description
Trans-4,5-Epoxy- (E) -2-decenal is an oxygenated α, β-unsaturated aldehyde found in mammalian blood that gives blood its characteristic metallic odor. It is used by predators to locate blood or prey[1].
CAS Number
134454-31-2
UNSPSC
12352005
Hazard Statement
H225-H319-H336
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/trans-4-5-epoxy-e-2-decenal.html
Solubility
10 mM in DMSO
Smiles
CCCCC[C@H]1[C@@H](O1)/C=C/C=O
Molecular Formula
C10H16O2
Molecular Weight
168.23
Precautions
P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P370+P378-P403+P233-P403+P235-P405-P501
References & Citations
[1]Lee SH, et al. 4,5-Epoxy-2 (E) -decenal-induced formation of 1, N (6) -etheno-2'-deoxyadenosine and 1, N (2) -etheno-2'-deoxyguanosine adducts. Chem Res Toxicol. 2002 Mar;15 (3) :300-4.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4,5-Epoxy-2-decenal, (2E)-
CAS Number134454-31-2
PubChem CID15825667
IUPAC Name(E)-3-[(2S,3S)-3-pentyloxiran-2-yl]prop-2-enal
Molecular FormulaC10H16O2
Molecular Weight168.23
XLogP2
Topological Polar Surface Area29.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count12
Formal Charge0
Complexity163
SMILES
CCCCC[C@H]1[C@@H](O1)/C=C/C=O
InChI
InChI=1S/C10H16O2/c1-2-3-4-6-9-10(12-9)7-5-8-11/h5,7-10H,2-4,6H2,1H3/b7-5+/t9-,10-/m0/s1
InChIKey
HIOMEXREAUSUBP-MLXLLJIISA-N
Chemical Structure
2D Structure
2D structure of 4,5-Epoxy-2-decenal, (2E)-
CAS: 134454-31-2
CID: 15825667
Formula: C10H16O2
MW: 168.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight168.23
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass168.115029749
Monoisotopic Mass168.115029749
Topological Polar Surface Area29.6 Ų
Heavy Atom Count12
Formal Charge0
Complexity163
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes