Molecular formula
C11H22O2

SMILES
CC(C)CCCC(=O)OCC(C)C

Fragrance
Fruity	91.71%
Apple	59.91%
Oily	53.89%
Winey	52.04%
Herbal	50.11%
Sweet	46.31%
Fatty	38.6%
Pineapple	37.54%
Green	36.86%
Fermented	34.95%

 

Flavor
Fruity	78.46%
Green	68.72%
Apple	52.15%
Pineapple	48.96%
Sweet	48.8%
Tropical	48.45%
Banana	39.03%
Herbal	35.4%
Berry	34.01%
Pear	31.69%

 

Odor impact est.
High

XLogP3-AA
3.6

pKa est.
8.32 (weak base)

Molecular weight
186.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
211°C

Flash point

• 77.81 ˚C est.

• isobutanol isoam ylacetate
• SCHEMBL127995

This ester is widely used as a flavor and fragrance ingredient, providing a banana-like note in foods, candies, and beverages, and also used in perfumery and cosmetic formulations. It serves as a useful solvent in coatings, varnishes, printing inks, and adhesives, offering moderate polarity and a pleasant odor. It is encountered in cleaning formulations and industrial degreasers as an effective solvent option, and used as an intermediate in organic synthesis for making other esters and functional intermediates. In polymer and plastics processing, it can be used as a processing solvent or additive in specific formulations. In some cases, isoamyl acetate is evaluated for flavor and fragrance research and development, with usage governed by local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2677.19
methanol	2436.09
isopropanol	2547.84
water	0.99
ethyl acetate	2223.88
n-propanol	1897.32
acetone	2676.82
n-butanol	2032.01
acetonitrile	1455.6
DMF	1914.23
toluene	709.87
isobutanol	1715.11
1,4-dioxane	2316.41
methyl acetate	1586.89
THF	3493.52
2-butanone	1893.05
n-pentanol	1336.01
sec-butanol	2070.79
n-hexane	602.24
ethylene glycol	296.84
NMP	1801.96
cyclohexane	719.47
DMSO	1632.12
n-butyl acetate	2602.2
n-octanol	919.24
chloroform	4371.13
n-propyl acetate	1373.16
acetic acid	2317.64
dichloromethane	3171.73
cyclohexanone	2956.28
propylene glycol	625.72
isopropyl acetate	1686.92
DMAc	1653.68
2-ethoxyethanol	1295.55
isopentanol	2067.69
n-heptane	306.64
ethyl formate	1141.98
1,2-dichloroethane	2122.61
n-hexanol	1988.7
2-methoxyethanol	1887.39
isobutyl acetate	1046.45
tetrachloromethane	805.91
n-pentyl acetate	1248.86
transcutol	4058.6
n-heptanol	849.12
ethylbenzene	551.44
MIBK	1287.02
2-propoxyethanol	2160.23
tert-butanol	3109.75
MTBE	2723.7
2-butoxyethanol	1278.32
propionic acid	1496.89
o-xylene	572.57
formic acid	493.59
diethyl ether	1810.59
m-xylene	632.39
p-xylene	843.18
chlorobenzene	1153.51
dimethyl carbonate	364.83
n-octane	135.82
formamide	497.13
cyclopentanone	2445.35
2-pentanone	1832.5
anisole	900.13
cyclopentyl methyl ether	1698.84
gamma-butyrolactone	2450.49
1-methoxy-2-propanol	1695.53
pyridine	1705.79
3-pentanone	1095.31
furfural	1882.72
n-dodecane	97.05
diethylene glycol	1098.23
diisopropyl ether	810.22
tert-amyl alcohol	2568.86
acetylacetone	1826.17
n-hexadecane	110.29
acetophenone	911.51
methyl propionate	1113.61
isopentyl acetate	2447.68
trichloroethylene	3946.79
n-nonanol	764.18
cyclohexanol	1926.0
benzyl alcohol	752.17
2-ethylhexanol	1253.04
isooctanol	720.89
dipropyl ether	1222.66
1,2-dichlorobenzene	1072.63
ethyl lactate	511.89
propylene carbonate	1731.72
n-methylformamide	901.19
2-pentanol	1706.46
n-pentane	389.35
1-propoxy-2-propanol	1868.16
1-methoxy-2-propyl acetate	1680.35
2-(2-methoxypropoxy) propanol	1065.12
mesitylene	471.96
ε-caprolactone	2541.04
p-cymene	472.22
epichlorohydrin	2666.63
1,1,1-trichloroethane	2671.65
2-aminoethanol	739.52
morpholine-4-carbaldehyde	1845.47
sulfolane	2231.63
2,2,4-trimethylpentane	234.13
2-methyltetrahydrofuran	2822.72
n-hexyl acetate	1833.83
isooctane	202.77
2-(2-butoxyethoxy)ethanol	1505.88
sec-butyl acetate	1139.16
tert-butyl acetate	1676.12
decalin	331.64
glycerin	646.0
diglyme	2380.37
acrylic acid	1009.51
isopropyl myristate	616.83
n-butyric acid	2871.63
acetyl acetate	1325.96
di(2-ethylhexyl) phthalate	531.6
ethyl propionate	1030.01
nitromethane	2183.1
1,2-diethoxyethane	1606.35
benzonitrile	1186.05
trioctyl phosphate	422.76
1-bromopropane	1601.36
gamma-valerolactone	2925.91
n-decanol	534.5
triethyl phosphate	471.56
4-methyl-2-pentanol	1030.18
propionitrile	1228.19
vinylene carbonate	1342.32
1,1,2-trichlorotrifluoroethane	1962.06
DMS	899.23
cumene	437.95
2-octanol	656.67
2-hexanone	1403.34
octyl acetate	762.36
limonene	834.23
1,2-dimethoxyethane	2178.7
ethyl orthosilicate	510.63
tributyl phosphate	563.97
diacetone alcohol	1619.6
N,N-dimethylaniline	644.54
acrylonitrile	1159.04
aniline	828.69
1,3-propanediol	1261.38
bromobenzene	1262.3
dibromomethane	2395.42
1,1,2,2-tetrachloroethane	3562.62
2-methyl-cyclohexyl acetate	1079.55
tetrabutyl urea	615.69
diisobutyl methanol	726.94
2-phenylethanol	974.72
styrene	631.57
dioctyl adipate	829.21
dimethyl sulfate	550.03
ethyl butyrate	1317.95
methyl lactate	561.57
butyl lactate	972.39
diethyl carbonate	773.57
propanediol butyl ether	1239.4
triethyl orthoformate	846.28
p-tert-butyltoluene	466.58
methyl 4-tert-butylbenzoate	871.29
morpholine	2882.83
tert-butylamine	2143.79
n-dodecanol	401.8
dimethoxymethane	1088.72
ethylene carbonate	1248.27
cyrene	744.18
2-ethoxyethyl acetate	1276.34
2-ethylhexyl acetate	1776.89
1,2,4-trichlorobenzene	1240.77
4-methylpyridine	1865.77
dibutyl ether	1169.79
2,6-dimethyl-4-heptanol	726.94
DEF	1648.52
dimethyl isosorbide	1501.28
tetrachloroethylene	2190.28
eugenol	835.38
triacetin	1154.31
span 80	1137.59
1,4-butanediol	576.36
1,1-dichloroethane	2749.43
2-methyl-1-pentanol	1371.21
methyl formate	662.03
2-methyl-1-butanol	1691.94
n-decane	173.98
butyronitrile	1878.21
3,7-dimethyl-1-octanol	998.28
1-chlorooctane	636.25
1-chlorotetradecane	256.16
n-nonane	184.38
undecane	124.65
tert-butylcyclohexane	327.58
cyclooctane	207.6
cyclopentanol	1744.69
tetrahydropyran	2927.63
tert-amyl methyl ether	1736.67
2,5,8-trioxanonane	1452.98
1-hexene	1360.87
2-isopropoxyethanol	1112.2
2,2,2-trifluoroethanol	596.72
methyl butyrate	1606.4

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