Isobutyl butyrate, 98%

Name: Isobutyl butyrate, 98%
Brand: Vaqora Chemicals
SKU: VQ-019226

About Isobutyl butyrate, 98%

Listed under CAS 539-90-2, Isobutyl butyrate is an aroma chemical available from Vaqora Chemicals in Synthesis grade with a typical assay of 98%. The compound has the formula C8H16O2, corresponding to a molecular weight of 144.21 g/mol. The IUPAC name is 2-methylpropyl butanoate. Alternative names: Isobutyl n-butyrate and Butanoic acid, 2-methylpropyl ester.

It is supplied as a liquid. Reported physical data include a boiling point of 157-158 °C and a density of 0.861 g/mL at 25 °C. Store in a cool, well-ventilated place, away from sources of ignition, with the container tightly sealed. Under GHS it is labelled “Warning”, so handle it with suitable PPE and consult the SDS.

Typical applications include flavour formulation, fragrance compounding, aroma research and food and flavour applications. Our customers for this product work in food and beverage processing and cosmetics and personal care.

Available in 500 g, 1 kg, 5 kg and 4 x 25 kg packs, Isobutyl butyrate is dispatched with a Certificate of Analysis (COA) to destinations worldwide.

Typical applications

Flavour formulation
Fragrance compounding
Aroma research
Food & flavour applications

Industries

Specifications & identifiers

Chemical identifiers
Product name	Isobutyl butyrate, 98%
Catalogue No.	VQ-019226
CAS Number	539-90-2
IUPAC name	2-methylpropyl butanoate
Molecular formula	C₈H₁₆O₂
Molecular weight	144.21 g/mol
Exact mass	144.115
Grade	Synthesis
Purity / assay	98%
HSN code	29420090
InChIKey	RGFNRWTWDWVHDD-UHFFFAOYSA-N
SMILES	CCCC(=O)OCC(C)C
PubChem CID	10885

Physical properties
Physical form	Liquid
Appearance	Liquid
Boiling point	157-158 °C
Density	0.861 g/mL at 25 °C
LogP (XLogP3)	2.3
H-bond donors / acceptors	0 / 2
TPSA	26.3 Å²
UN number	UN 3272
Synonyms	Isobutyl n-butyrate, Butanoic acid, 2-methylpropyl ester, Isobutyl butyrate (natural), iso-Butyl n-butyrate, 4-02-00-00790 (Beilstein Handbook Reference), Isobutyl butanoic acid, Isobutyl N-butyric acid, Butyrate, isobutyl ester, Butanoate, isobutyl ester, 2-Methylpropyl butyric acid, 2-Methylpropyl butanoic acid, Butanoate, methyl propyl ester

Safety & hazard information (GHS)

Flammable

Signal word: Warning

Hazard statements

H226Flammable liquid and vapor

Precautionary statements: P210, P233, P240, P241, P242, P243, P280, P303 + P361 + P353, P370 + P378, P403 + P235, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of Isobutyl butyrate, 98%?

The CAS Registry Number of Isobutyl butyrate, 98% is 539-90-2. It is also known as Isobutyl n-butyrate, Butanoic acid, 2-methylpropyl ester, Isobutyl butyrate (natural).

What is the molecular formula and molecular weight of Isobutyl butyrate, 98%?

Isobutyl butyrate, 98% has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-methylpropyl butanoate.

Which grade and pack sizes of Isobutyl butyrate, 98% can I order?

We supply Isobutyl butyrate, 98% in Synthesis (98%) grade, in 500 g, 1 kg, 5 kg, 4 x 25 kg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Isobutyl butyrate, 98%?

Yes. Every lot of Isobutyl butyrate, 98% is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Isobutyl butyrate, 98% be shipped internationally?

Yes. Isobutyl butyrate, 98% is classified as hazardous (UN 3272), so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.