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CAS 18829-55-5

trans-2-Heptenal TCI H0579

trans-2-Heptenal TCI H0579

Chemical Identity

CAS No.
18829-55-5
Formula
C7H12O
Molecular weight
112.17 g/mol
Purity
>95.0%(GC)
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
(E)-hept-2-enal
SMILES
CCCCC=CC=O
InChIKey
NDFKTBCGKNOHPJ-AATRIKPKSA-N
MDL
MDL00007010
PubChem
CID 5283316
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trans-2-Heptenal is a seven-carbon unsaturated aldehyde carrying a conjugated double bond at the alpha-beta position relative to the carbonyl group. The compound occurs naturally as an aroma component in a wide range of food materials and is also recognised as one of the products of lipid oxidation. Because of this dual identity, its role in the laboratory branches in two directions: it serves as a building block for organic synthesis, and it acts as a reference compound in flavour analysis and in studies of oxidative deterioration in oils and fats. It is supplied as a liquid packaged in small volumes that match ordinary bench-scale consumption patterns.

The property that makes this material a preferred choice is its conjugated enal system, which is electrophilically reactive at two positions at once: at the carbonyl carbon and at the beta carbon. This duality opens the way to both 1,2-addition and 1,4-conjugate addition, so a synthetic chemist can steer the reaction according to the nucleophile chosen and the conditions applied. The defined trans geometry matters as well, because many downstream reactions preserve that configuration in the final product. The reasonably long heptenal chain contributes lipophilic character that is useful when a target compound needs to resemble a natural lipid fragment.

In Indonesian laboratories this compound is typically drawn on at bench scale, where small packaged volumes suit the working pattern of academic and industrial research groups. It is handled in synthetic chemistry groups developing carbon-carbon bond formation routes, and in food and oils analysis laboratories where flavour profiles and oxidative degradation are under study. The small pack format reduces the amount of reactive aldehyde held in the chemical store at any one time, which fits the way most institutional laboratories manage their inventory of sensitive reagents.

  • Organic synthesis building block, where the seven-carbon unsaturated aldehyde skeleton supplies both a carbonyl handle and an activated double bond for constructing more elaborate target molecules.
  • Conjugate addition chemistry, because the beta carbon of the enal system is electrophilic and accepts soft nucleophiles in 1,4-fashion under conditions selected by the chemist.
  • Carbonyl addition and condensation work, where the aldehyde carbon supports 1,2-addition, giving access to alternative products from the very same starting material.
  • Flavour and aroma analysis, since the compound occurs naturally as an aroma component in foods and therefore serves as a reference substance during profiling work.
  • Lipid oxidation studies, where trans-2-Heptenal functions as a known oxidation product and acts as a marker compound in assessing oxidative deterioration of oils and fats.

Brand TCI
CAS number 18829-55-5
Molecular formula —
Purity —
Category Chemistry > Building Blocks > Non-Heterocyclic Building Blocks
Pack sizes small volumes suited to bench-scale laboratory use
Physical form liquid
Storage keep in a closed container under conditions appropriate for a reactive unsaturated aldehyde

Store the container tightly closed in a cool, well-ventilated chemical store away from heat, ignition sources and strong oxidising agents, since unsaturated aldehydes are reactive materials. Keep the product in its original supplier container wherever possible, or transfer it to a compatible, well-sealed glass vessel with a chemically resistant closure and a clear label. Handle and dispense inside a fume hood, wearing safety glasses, chemically resistant gloves and a laboratory coat. Minimise exposure to air during transfer, close the container promptly after use, and consult the manufacturer's safety data sheet before first handling and before disposal.

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