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20407-84-5

20407-84-5 structural image
Product Name: TRANS-2-DODECENAL
Formula: C12H22O
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Boiling Point 73.00 to 74.00 °C. @ 0.50 mm Hg
Solubility Soluble in most fixed oils; Insoluble in water
Density 0.839-0.849
LogP 4.510
Refractive Index 1.454-1.460
Kovats Retention Index 1442 1442 1448 1444 1445 1439 1444 1445 1448.8 1444 1445 1445 1449 1432 1449
Chemical Classes Other Classes -> Aldehydes

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H314:Skin corrosion/irritation
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P310:Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 182.30 g/mol
XLogP3 4.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 9
Exact Mass 182.167065321 g/mol
Monoisotopic Mass 182.167065321 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 127
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

(E)-dodec-2-enal is a trans-2,3-unsaturated fatty aldehyde that is (E)-dodec-2-ene in which the allylic methyl group has been oxidised to the corresponding aldehyde. It has a role as an anthelminthic drug, a plant metabolite and an antibacterial agent. It is a trans-2,3-unsaturated fatty aldehyde and a long-chain fatty aldehyde. It derives from a hydride of an (E)-2-dodecene.

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