| Identification | More | [Name]
Isoamyl butyrate | [CAS]
106-27-4 | [Synonyms]
2-METHYLBUTYL BUTANOATE
3-methylbutyl butanoate
3-METHYLBUTYL BUTYRATE
AMYL BUTYRATE
Butyric acid 3-methylbutyl ester
BUTYRIC ACID ISOAMYL ESTER
FEMA 2060
ISOAMYL BUTANOATE
ISOAMYL BUTYRATE
ISOAMYL N-BUTYRATE
ISOPENTYL BUTYRATE
ISOPENTYL N-BUTYRATE
N-BUTYRIC ACID ISOAMYL ESTER
Pentyl butancate
3-methyl-1-butylbutanoate
3-methylbutyl
Butanoicacid,3-methylbutylester
butanoicacid3-methylbutylester
Butyric acid, isopentyl ester
butyricacid,isopentylester | [EINECS(EC#)]
203-380-8 | [Molecular Formula]
C9H18O2 | [MDL Number]
MFCD00044888 | [Molecular Weight]
158.24 | [MOL File]
106-27-4.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLOURLESS LIQUID | [Melting point ]
-73 °C | [Boiling point ]
184-185 °C (lit.) | [density ]
0.862 g/mL at 25 °C(lit.)
| [vapor density ]
5.45 (vs air)
| [vapor pressure ]
1.1 hPa (20 °C) | [FEMA ]
2060 | [refractive index ]
n20/D 1.411(lit.)
| [Fp ]
136 °F
| [storage temp. ]
Store below +30°C. | [solubility ]
0.5g/l | [form ]
neat | [color ]
Colorless to Almost colorless | [Specific Gravity]
0.866 (20/4℃) | [Odor]
at 100.00 %. fruity green apricot pear banana | [biological source]
synthetic | [Odor Type]
fruity | [Water Solubility ]
184.7mg/L at 20℃ | [JECFA Number]
45 | [Merck ]
14,5115 | [Henry's Law Constant]
1.1×10-2 mol/(m3Pa) at 25℃, Brockbank (2013) | [Dielectric constant]
3.9（20℃） | [Major Application]
flavors and fragrances | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C9H18O2/c1-4-5-9(10)11-7-6-8(2)3/h8H,4-7H2,1-3H3 | [InChIKey]
PQLMXFQTAMDXIZ-UHFFFAOYSA-N | [SMILES]
CCCC(=O)OCCC(C)C | [LogP]
3.99 at 22.4℃ | [Uses]
Isoamyl Butyrate is a synthetic flavoring agent that is a stable, col-
orless liquid of strong fruity odor. it is usually prepared by esterifica-
tion of isoamyl alcohols with butyric acid. it is soluble in most fixed
oils and mineral oil and is insoluble in glycerin and propylene gly-
col. storage should be in glass, tin, or resin-lined containers. it is
used in fruit flavors such as pineapple, raspberry, and strawberry
and has application in dessert gels, puddings, and baked goods at
50–60 ppm. | [CAS DataBase Reference]
106-27-4(CAS DataBase Reference) | [NIST Chemistry Reference]
Butanoic acid, 3-methylbutyl ester(106-27-4) | [EPA Substance Registry System]
106-27-4(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS02 | [Signal word ]
Warning | [Hazard statements ]
H226-H412 | [Precautionary statements ]
P210-P233-P240-P241-P242-P273 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S24/25:Avoid contact with skin and eyes . | [RIDADR ]
UN 3272 3/PG 3
| [WGK Germany ]
1
| [RTECS ]
ET5034000
| [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
3 | [PackingGroup ]
III | [HS Code ]
29156019 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Aquatic Chronic 3
Flam. Liq. 3 | [Toxicity]
LD50 orally in Rabbit: > 5000 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
| Questions And Answer | Back Directory | [Description]
Isoamyl Butyrate is a chemical ester of butyrate. It is a kind of
flavoring agent that widely used in the preparation of a variety of
fruit juice flavor, such as apricots, bananas, pears, apples and
other flavor. It is high-demand flavor and fragrance compounds
widely used in the food, beverage, cosmetic, and pharmaceutical
industries. It is also a kind of solvent for extracting natural
spices and the solvent of acetate fiber. Its synthesis can be
mediated by the lipase (from various sources) catalyzed
esterfication of isoamyl alcohol and butyrate. | [References]
Macedo, G. A., G. M. Pastore, and M. I. Rodrigues. "Optimising the synthesis of isoamyl butyrate using Rhizopus sp. lipase with a central composite rotatable design." Process Biochemistry 39.6 (2004): 687-693.
Krishna, S. Hari, et al. "Lipase-catalyzed synthesis of isoamyl butyrate: optimization by response surface methodology." Journal of the American Oil Chemists' Society 76.12 (1999): 1483- 1488.
Langrand, G., C. Triantaphylides, and J. Baratti. "Lipase catalyzed formation of flavour esters." Biotechnology Letters 10.8 (1988): 549-554.
|
| Hazard Information | Back Directory | [Chemical Properties]
CLEAR COLOURLESS LIQUID | [Chemical Properties]
Isoamyl butyrate has a fruity, apricot, pineapple, banana, strong, characteristic odor and a sweet, corresponding taste | [Chemical Properties]
Isoamyl Butyrate is a liquid with
strongly fruity odor that occurs, for example, in banana. It is used mainly in fruit
flavors. | [Occurrence]
Reported found in the oil of Eucalyptus macarthuri and in coconut oil. Also reported found in apple, apricot,
banana, kumquat peel oil, guava, grapes, melon, strawberry, tomato, cheeses, beer, cognac, rum, Scotch whiskey, cider, grape wines,
port, honey, yellow passion fruit, plum, mango, plum wine, cashew apple, cherimoya, bilberry wine, mountain papaya, Roman
chamomile, mastic gum leaf and fruit oil. | [Definition]
ChEBI: The butanoate ester of isoamylol. | [Preparation]
Usually prepared by esterification of commercial isoamyl alcohols with butyric acid by heating in the presence of
Twitchell’s reagent; or by fermentation from butyric acid and isoamyl alcohol | [Taste threshold values]
Taste characteristics at 10 ppm: ripe fruity, fatty, banana, apple, melon and fermented whiskey | [General Description]
Natural occurrence: Melon, papaya, hop oil, grape brandy, bourbon whiskey, honey, jack fruit. | [Biochem/physiol Actions]
Taste at 5 ppm |
|
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J & K SCIENTIFIC LTD.
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