| Identification | More | [Name]
Isobutyl butyrate | [CAS]
539-90-2 | [Synonyms]
2-METHYL-1-PROPYL BUTYRATE
2-METHYLPROPYL BUTANOATE
2-METHYLPROPYL BUTYRATE
FEMA 2187
isobutyl butanoate
ISOBUTYL BUTYRATE
ISOBUTYL BUTYRATE(N-)
ISOBUTYL N-BUTYRATE
N-BUTYRIC ACID ISOBUTYL ESTER
2-methyl-1-butylbutanoate
Butanoic acid, methyl propyl ester
Butanoicacid,2-methylpropylester
butanoicacid2-methylpropylester
Butyric acid, isobutyl ester
butyricacid,isobutylester
butyricacidisobutylester
Isobutyl ester of butanoic acid
Isobutyl butylate
ISOBUTYL BUTYRATE 98+% NATURAL FCC
ISOBUTYL BUTYRATE 98+% FCC | [EINECS(EC#)]
208-729-8 | [Molecular Formula]
C8H16O2 | [MDL Number]
MFCD00027134 | [Molecular Weight]
144.21 | [MOL File]
539-90-2.mol |
| Chemical Properties | Back Directory | [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)
| [FEMA ]
2187 | [refractive index ]
n20/D 1.403(lit.)
| [Fp ]
114 °F
| [solubility ]
Very slightly soluble in water, miscible with alcohol and oils | [form ]
neat | [color ]
Colorless to Almost colorless | [Odor]
at 100.00 %. sweet fruity pineapple tutti frutti rum cherry apple overripe fruit bubble gum | [biological source]
synthetic | [Odor Threshold]
0.0016ppm | [Odor Type]
fruity | [JECFA Number]
158 | [Merck ]
5136 | [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) | [NIST Chemistry Reference]
Butanoic acid, 2-methylpropyl ester(539-90-2) | [EPA Substance Registry System]
539-90-2(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS02 | [Signal word ]
Warning | [Hazard statements ]
H226-H412 | [Precautionary statements ]
P210-P273 | [Hazard Codes ]
N | [Risk Statements ]
R10:Flammable.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S60:This material and/or its container must be disposed of as hazardous waste . | [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 | [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. |
| Hazard Information | Back Directory | [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. | [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. | [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. | [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. |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Energy Chemical
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| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
jiliang chemicals
|
| Telephone: |
21-62165282 |
| Website: |
http://www.jiliangchem.com |
| Company Name: |
Maya High Purity Chemicals
|
| Telephone: |
+86 (573) 82222445 (0)18006601000 452520369 |
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www.chemicalbook.com/ShowSupplierProductsList15221/0_EN.htm |
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