(E,Z)-2,6-Nonadienal

(E,Z)-2,6-Nonadienal
Compound Structure:
Synonyms: trans-2,cis-6-Nonadienal;(2E,6Z)-nona-2,6-dienal;trans,cis-2,6-Nonadienal;Nona-2,6-dienal;2,6-Nonadienal, (2E,6Z)-;(E,Z)-2,6-nonadienal;(2E,6Z)-Nonadienal;(2E,6Z)-Nona-2,6-dien-1-al;(2E,6Z)-2,6-Nonadienal;2-trans-6-cis-Nonadienal
Compound ID: NMPC-057
PubChem ID:

643731
Molecular Formula: C9H14O
Canonical SMILES: CCC=CCCC=CC=O
InChIKey: HZYHMHHBBBSGHB-ODYTWBPASA-N
About the compound:

trans,cis-2,6-Nonadienal is an organic compound characterized as a doubly unsaturated derivative of nonanal. It is an α,β-unsaturated aldehyde with an isolated alkene group and is known for its cucumber-like aroma. This compound is found not only in cucumbers but also in bread crust and freshly cut watermelon. On the other hand, (2E,6Z)-nona-2,6-dienal is an enal that consists of (2E,6Z)-nona-2,6-diene with an oxo group at position 1. It functions as a plant metabolite and belongs to the category of enals and trans-2,3-unsaturated fatty aldehydes. trans-2,cis-6-Nonadienal, the compound found in Vaccinium vitis-idaea, is known for its characteristic aroma, which resembles the scent of cucumbers. It is used in the fragrance and flavor industry to create fresh and cucumber-like scents, making it valuable in various applications.

https://en.wikipedia.org/wiki/Trans,cis-2,6-Nonadienal

GHS Hazard Statements

• H315 (99.93%): Causes skin irritation [Warning Skin corrosion/irritation]

• H317 (99.58%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

138.21 g/mol

XLogP3-AA

2.2

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

5

Exact Mass

138.104465066 g/mol

Monoisotopic Mass

138.104465066 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

10

Formal Charge

0

Complexity

123

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

2

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Slightly yellow liquid; powerful, violet, cucumber

Boiling Point

94.00 to 95.00 °C. @ 18.00 mm Hg

Density

0.850-0.870

Solubility 

Soluble in most fixed oils; Insoluble in water

Source: PubChem
Source Species: Pachira glabra
Luffa cylindrica
Plumeria alba
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