Isoamyl Isobutyrate TCI I0676

Chemical Identity

CAS No.: 2050-01-3
Formula: C9H18O2
Molecular weight: 158.24 g/mol
Purity: >98.0%(GC)

Full identifiers (IUPAC, SMILES, InChIKey)

IUPAC: 3-methylbutyl 2-methylpropanoate
SMILES: CC(C)CCOC(=O)C(C)C
InChIKey: VFTGLSWXJMRZNB-UHFFFAOYSA-N
PubChem: CID 519786

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TCI I0676 Isoamyl Isobutyrate is an organic ester formed from isobutyric acid and isoamyl alcohol, producing a compound with a characteristic fruity aroma. It belongs to the non-heterocyclic building block family and is also a material frequently studied in flavour and fragrance research. In the laboratory, this material is used as a reference standard compound in aroma analysis, as a test substance in research on esters and esterification reactions, and as an organic solvent for non-polar materials. Supplied under the TCI brand, it is catalogued within Chemistry > Building Blocks > Non-Heterocyclic Building Blocks and is identified by CAS number 2050-01-3.

The properties that make this compound a preferred choice are its branched-chain ester character, which gives it a sweet fruity aroma, together with its volatile nature. As an ester, the compound is relatively non-polar, dissolving well in organic solvents such as ethanol and hydrocarbons while showing low solubility in water. These characteristics make it ideal for analysis by gas chromatography and for use as a comparison component in aroma profiling. The ester group can also undergo hydrolysis as well as transesterification, so the compound is often adopted as a model reaction in chemical kinetics experiments in teaching laboratories.

Laboratories in Indonesia draw on this material primarily in work that combines analytical and preparative demands. Its role as a reference compound supports aroma analysis, while its behaviour as an ester supports esterification and reaction studies. Because it is volatile and non-polar, it fits established gas chromatography workflows, and its predictable ester chemistry makes it a convenient teaching material for kinetics experiments in academic laboratories.

Aroma analysis reference standard: the compound serves as a comparison substance in aroma profiling, allowing analysts to anchor their results against a material with a well-defined fruity ester character.
Gas chromatography work: its volatility and relatively non-polar nature make this ester well suited to separation and identification by gas chromatography in routine analytical laboratories.
Ester and esterification research: as a product of isobutyric acid and isoamyl alcohol, it functions directly as a test substance in studies of ester formation and related reaction chemistry.
Chemical kinetics model reaction: the ester group undergoes hydrolysis and transesterification, so the compound is often used as a model system for kinetics experiments in teaching laboratories.
Organic solvent for non-polar materials: its good solubility in organic solvents such as ethanol and hydrocarbons allows it to dissolve non-polar substances during sample preparation and experimental work.

Brand	TCI
CAS number	2050-01-3
Molecular formula	—
Purity	—
Category	Chemistry > Building Blocks > Non-Heterocyclic Building Blocks
Pack sizes	please refer to the catalogue listing for the available pack configurations
Physical form	—
Storage	—

Chemical class: organic ester of isobutyric acid and isoamyl alcohol, non-heterocyclic building block
Solubility: soluble in organic solvents such as ethanol and hydrocarbons, low solubility in water

Because this material is a volatile ester, it should be stored in a tightly closed container to limit evaporation and loss of aroma character, and kept in a cool, well-ventilated area away from heat sources and direct sunlight. Compatible glass containers with secure closures are appropriate for both storage and dispensing. The ester group is susceptible to hydrolysis, so contact with moisture should be minimised and containers resealed promptly after use. Handle the material in a fume hood or a well-ventilated workspace, and wear standard laboratory personal protective equipment including safety glasses, gloves, and a laboratory coat. Always consult the manufacturer's safety data sheet before use.

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