(E,E)-2,4-Heptadienal

(E,E)-2,4-Heptadienal
Compound Structure:
Synonyms: 2,4-HEPTADIENA;(2E,4E)-Hepta-2,4-dienal;trans,trans-2,4-Heptadienal;Trans-2-trans-4-Heptadienal;(E,E)-2,4-Heptadienal;2,4-Heptadienal, (2E,4E)-;2,4-Heptadienal, (E,E)-;(E,E)-2,4-Heptadien-1-al
Compound ID: NMPC-053
PubChem ID:

5283321
Molecular Formula: C7H10O
Canonical SMILES: CCC=CC=CC=O
InChIKey: SATICYYAWWYRAM-VNKDHWASSA-N
About the compound:

(E,E)-hepta-2,4-dienal is a heptadienal compound with double bonds at positions 2 and 4 in the E,E geometric configuration. This compound primarily functions as a flavoring agent, contributing to the taste and aroma of certain foods or products. 2,4-Heptadienal is a natural product found in various organisms, including Vaccinium macrocarpon and Vaccinium vitis-idaea. It likely contributes to the flavor profiles of the sources in which it is naturally present. In the food industry, compounds like (E,E)-hepta-2,4-dienal are often used to enhance or impart specific flavors to various products, and they play a crucial role in creating the diverse range of tastes and scents found in food and beverages.

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

• H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

110.15 g/mol

XLogP3-AA

1.6

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

3

Exact Mass              

110.073164938 g/mol

Monoisotopic Mass

110.073164938 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

8

Formal Charge

0

Complexity

101

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; fatty, green aroma

Density

0.822-0.828

Solubility 

Soluble in fixed oils; Insoluble in water

Source: PubChem
Source Species: Plumeria alba
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