cis-3-Hexen-1-yl Hexanoate TCI C0917

Chemical Identity

Other names: Hexanoic Acid cis-3-Hexen-1-yl Ester
CAS No.: 31501-11-8
PubChem: CID 5352543·SID 87565970
Formula: C12H22O2
Molecular weight: 198.31 g/mol
Purity: >98.0%(GC)
Reference databases: ChEBI·ChemSpider·ECHA

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: [(Z)-hex-3-enyl] hexanoate
SMILES: CCCCCC(=O)OCCC=CCC
InChIKey: RGACQXBDYBCJCY-ALCCZGGFSA-N
MDL: MDL00036552

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Dokumen Keamanan & Mutu

↓ Unduh SDS / MSDS (PDF resmi TCI)

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cis-3-Hexen-1-yl Hexanoate from TCI, product code C0917, is an ester formed from cis-3-hexen-1-ol, widely known as "leaf alcohol", and hexanoic acid. It belongs to the non-heterocyclic building block group. In the laboratory, this ester is best known for its role in aroma and flavor chemistry, because it gives a green, fruity odor that recalls freshly cut leaves or fruit that is not yet fully ripe. Researchers can use it as a reference compound, as an ingredient in experimental formulations, or as a substrate in studies of ester and alkene reactions.

Its structure combines two useful features: a cis-configured double bond on the hexenyl chain and an ester group that can be hydrolyzed or transesterified readily. The cis configuration has a strong influence on the compound's aroma character, so it is useful in research that compares how molecular geometry affects odor perception. Because it is a liquid, it dissolves and dilutes easily for gas chromatography analysis and sensory testing. Detailed purity data is given in TCI's analytical documentation. Its well-defined structure also makes it a good model compound for teaching and method development.

The food, beverage, cosmetics, and fragrance industries in Indonesia continue to grow. University research groups, quality control laboratories, and product development teams working on flavors and fragrances can use this ester as an analytical reference when identifying volatile compounds in natural extracts or finished products. Synthetic chemistry laboratories can also use it as a starting material or model substrate when studying reactions that involve esters and cis-alkenes.

Related TCI products

Flavor and fragrance research: its green, fruity aroma makes it a relevant reference material for studying leafy and unripe-fruit notes in experimental flavor and fragrance formulations.
Gas chromatography reference standard: as a liquid ester it dilutes easily in common solvents, so it helps with retention-time comparison and identification of volatile compounds in GC analysis.
Structure–odor relationship studies: its cis-configured double bond lets researchers examine how molecular geometry affects odor perception when they compare it with related isomers or analogues.
Ester hydrolysis and transesterification studies: its readily reactive ester group makes it a practical model substrate for studying reaction conditions, catalysts, and the kinetics of ester transformations.
Alkene reaction research: the cis double bond on the hexenyl chain gives a defined site for studying addition, isomerization, or other alkene reactions in synthetic chemistry work.

Brand	TCI (product code C0917)
CAS number	31501-11-8
Molecular formula	—
Purity	—
Category	Chemistry > Building Blocks > Non-Heterocyclic Building Blocks
Pack sizes	see the current product listing for available sizes
Physical form	liquid
Storage	keep the container tightly closed in a cool, dry, well-ventilated place; follow the storage conditions on the TCI label and safety data sheet

Store cis-3-Hexen-1-yl Hexanoate in its original, tightly sealed container, in a cool, dry, well-ventilated area away from direct sunlight, heat sources, and ignition sources. Keep it apart from strong oxidizing agents, strong acids, and strong bases, which could react with the ester or the double bond. Glass containers with chemically resistant caps are suitable for any portion you transfer out of the original pack. Handle it in a fume hood or well-ventilated area, and wear safety glasses, chemical-resistant gloves, and a lab coat. Because the compound has a noticeable odor, keep containers closed when not in use to avoid cross-contamination of nearby samples, especially in sensory or trace analysis work. Always check the safety data sheet from TCI for specific hazard, handling, and disposal information before use.

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