Isobutyl butyrate
- CAS No.
- 539-90-2
- Chemical Name:
- Isobutyl butyrate
- Synonyms
- 2-METHYLPROPYL BUTANOATE;FEMA 2187;isobutyl butanoate;Natural Isobutyl butyrate;Butanoicacid,2-methylpropylester;NSC 406938;Isobutylbutyrat;methyt butyrate;Isobuyl Butyrate;ISOBUTYL BUTYRATE
- CBNumber:
- CB2389790
- Molecular Formula:
- C8H16O2
- Molecular Weight:
- 144.21
- MDL Number:
- MFCD00027134
- MOL File:
- 539-90-2.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Melting point | -88.07°C (estimate) |
|---|---|
| Boiling point | 157-158 °C(lit.) |
| Density | 0.861 g/mL at 25 °C(lit.) |
| vapor density | 5 (vs air) |
| refractive index |
n |
| FEMA | 2187 | ISOBUTYL BUTYRATE |
| FLAVIS Number | 09.043 | Isobutyl butyrate |
| Flash point | 114 °F |
| solubility | Very slightly soluble in water, miscible with alcohol and oils |
| color | Colorless to Almost colorless |
| Odor | at 100.00 %. sweet fruity pineapple tutti frutti rum cherry apple overripe fruit bubble gum |
| Odor Type | fruity |
| biological source | synthetic |
| Odor Threshold | 0.0016ppm |
| Merck | 14,5136 |
| JECFA Number | 158 |
| Henry's Law Constant | 1.3×10-2 mol/(m3Pa) at 25℃, Hilal et al. (2008) |
| Dielectric constant | 4.0(20℃) |
| Major Application | flavors and fragrances |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C8H16O2/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3 |
| InChIKey | RGFNRWTWDWVHDD-UHFFFAOYSA-N |
| SMILES | CCCC(=O)OCC(C)C |
| LogP | 2.76 |
| CAS DataBase Reference | 539-90-2(CAS DataBase Reference) |
| Substances Added to Food (formerly EAFUS) | ISOBUTYL BUTYRATE |
| FDA 21 CFR | 172.515 |
| EWG's Food Scores | 1 |
| FDA UNII | 827NDQ0P0W |
| NIST Chemistry Reference | Butanoic acid, 2-methylpropyl ester(539-90-2) |
| EPA Substance Registry System | Isobutyl butyrate (539-90-2) |
| UNSPSC Code | 12164502 |
| NACRES | NA.21 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS02 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H226-H412 | |||||||||
| Precautionary statements | P210-P273 | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | N | |||||||||
| Risk Statements | 10-50/53-52/53 | |||||||||
| Safety Statements | 16-27-36/37/39-61-60 | |||||||||
| RIDADR | UN 3272 3/PG 3 | |||||||||
| WGK Germany | 2 | |||||||||
| RTECS | ET5020000 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 3.2 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29156000 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications | Aquatic Chronic 2 Flam. Liq. 3 |
|||||||||
| Limited Quantities | 5.0 L (1.3 gallons) (liquid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) | |||||||||
| NFPA 704 |
|
Isobutyl butyrate price More Price(38)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | W218715 | Isobutyl butyrate natural, ≥98%, FCC, FG | 539-90-2 | 1 each | $63.7 | 2026-04-30 | Buy |
| Sigma-Aldrich | W218715 | Isobutyl Butyrate natural, ≥98%, FCC, FG | 539-90-2 | 100g | $90.1 | 2026-04-30 | Buy |
| Sigma-Aldrich | W218715 | Isobutyl Butyrate natural, ≥98%, FCC, FG | 539-90-2 | 1kg | $201 | 2026-04-30 | Buy |
| Sigma-Aldrich | W218707 | Isobutyl butyrate ≥98%, FCC, FG | 539-90-2 | 1 each | $58 | 2026-04-30 | Buy |
| Sigma-Aldrich | W218707 | Isobutyl Butyrate ≥98%, FCC, FG | 539-90-2 | 1kg | $77.8 | 2026-04-30 | Buy |
Isobutyl butyrate Chemical Properties, Uses, Production
Usee
Isobutyl butyrate is a metabolite of Rifampicin, a Rifamycin antibiotic.
Description
Isobutyl butyrate has a fruity odor reminiscent of apple or pineapple and a sweet flavor reminiscent of rum. May be prepared by esterification of butyric acid with isobutyl alcohol in the presence of concentrated H2S04; or by enzymatic action of hog pancreas on a mixture of isobutyl alcohol and butyric acid in the absence of water.
Chemical Properties
Isobutyl butyrate has a fruity, ethereal odor reminiscent of apple or pineapple and a sweet flavor reminiscent of rum.
Uses
GB 27601-1996 specifies isobutyl butyrate as a permitted edible flavoring. It is mainly used to formulate peach, apricot, and berry flavorings.
Preparation
By esterification of butyric acid with isobutyl alcohol in the presence of concentrated H2SO4, or by enzymatic action of hog pancreas on a mixture of isobutyl alcohol and butyric acid in the absence of water.
Definition
ChEBI: A butyrate ester resulting from the formal condensation of butanoic acid with isobutanol. It is used as a food flavour ingredient for apple, banana, peach and pinapple flavours in ice cream and confectionery.
Taste threshold values
Taste characteristics at 20 ppm: sweet, fruity, pineapple, apple, bubble gum and tutti-frutti. Natural occurrence: Reported found in apricot, banana, apple, strawberry, blue and Gruyere cheeses, cognac, port wine, rum, honey, olive, passion fruit, plum, beans, mushrooms, mango, apple brandy, quince, cherimoya, kiwifruit and Chinese quince pee
Synthesis Reference(s)
The Journal of Organic Chemistry, 56, p. 5307, 1991 DOI: 10.1021/jo00018a019
General Description
Isobutyl butyrate is an aliphatic ester that can be used as a food flavoring agent. It is one of the volatile flavor compounds produced in ripening bananas.
Safety Profile
Mdly toxic by ingestion and intraduodenal routes. A skin irritant. See also ESTERS. When heated to decomposition it emits acrid smoke and irritating fumes.
Isobutyl butyrate Preparation Products And Raw materials
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Hubei Xingyao Biomedical Technology Co., Ltd | 17871673970 | 63857756@qq.com | China | 4995 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| 3B Pharmachem (Wuhan) International Co.,Ltd. | 18930552037 | 3bsc@sina.com | China | 15813 | 69 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| jiliang chemicals | 21-62165282 | bidingchem@163.com | China | 1395 | 60 |
| Shandong Xiya Chemical Co., Ltd | 13355009207 13355009207 | 3007715519@qq.com | China | 18722 | 57 |
| Sichuan Kulinan Technology Co., Ltd | 400-1166-196 18981987031 | cdhxsj@163.com | China | 11674 | 57 |
| Tianjin heowns Biochemical Technology Co., Ltd. | 400 638 7771 | sales@heowns.com | China | 14412 | 57 |
View Latest Price from Isobutyl butyrate manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-09-15 | Isobutyl butyrate
539-90-2
|
25KG | 98%min | 10tons/month | WUHAN FORTUNA CHEMICAL CO., LTD | ||
 |
2026-09-15 | Isobutyl butyrate
539-90-2
|
$66.00-99.00 | 99% | 5000 | HEBEI SHENGSUAN CHEMICAL INDUSTRY CO.,LTD | ||
 |
2026-03-20 | Isobutyl butyrate
539-90-2
|
$1.00 | 1kg | 99% | 10 mt | Hebei Chuanghai Biotechnology Co., Ltd |
-
- Isobutyl butyrate
539-90-2
- 98%min
- WUHAN FORTUNA CHEMICAL CO., LTD
-
- Isobutyl butyrate
539-90-2
- $66.00-99.00
- 99%
- HEBEI SHENGSUAN CHEMICAL INDUSTRY CO.,LTD
-
- Isobutyl butyrate
539-90-2
- $1.00
- 99%
- Hebei Chuanghai Biotechnology Co., Ltd
