Molecular formula
C11H22O2

SMILES
CCC(C)CC(=O)OCCC(C)C

Fragrance
Fruity	94.19%
Apple	70.58%
Herbal	58.95%
Winey	46.49%
Green	45.84%
Banana	41.76%
Oily	40.41%
Pineapple	39.97%
Sweet	39.95%
Ripe	31.65%

 

Flavor
Fruity	82.34%
Green	69.51%
Apple	49.55%
Pineapple	49.0%
Tropical	46.03%
Sweet	40.06%
Banana	35.97%
Herbal	34.43%
Berry	33.35%
Pear	32.23%

 

Odor impact est.
Medium

XLogP3-AA
3.6

pKa est.
8.21 (weak base)

Molecular weight
186.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
210°C

Flash point

• 76.22 ˚C est.

• ISOPENTYL 3-METHYLPENTANOATE

Isopentyl 3-methylpentanoate is an ester of isovaleric acid and isopentyl alcohol, widely used in fragrance and flavor applications to impart fruity, light aroma notes; in perfumery it serves as a fragrance ingredient and odorant, and in the flavor sector it may be used as a flavor additive for foods and beverages; in cosmetics and personal care as well as in household products and cleaners it contributes to scent formulations; it can also act as an intermediate in the synthesis of fragrance compounds for industrial manufacturing; its use is typically subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2005.46
methanol	1718.15
isopropanol	2091.29
water	1.02
ethyl acetate	1148.04
n-propanol	1496.61
acetone	1794.77
n-butanol	1457.32
acetonitrile	1036.77
DMF	1440.48
toluene	454.73
isobutanol	1273.03
1,4-dioxane	2276.42
methyl acetate	970.85
THF	3138.12
2-butanone	1242.11
n-pentanol	928.08
sec-butanol	1628.05
n-hexane	384.07
ethylene glycol	227.23
NMP	1385.96
cyclohexane	678.92
DMSO	1381.22
n-butyl acetate	1407.61
n-octanol	670.36
chloroform	3757.44
n-propyl acetate	755.32
acetic acid	1799.3
dichloromethane	2443.33
cyclohexanone	2400.06
propylene glycol	602.7
isopropyl acetate	789.68
DMAc	1034.2
2-ethoxyethanol	805.36
isopentanol	1306.59
n-heptane	220.76
ethyl formate	724.51
1,2-dichloroethane	1487.29
n-hexanol	1481.24
2-methoxyethanol	1466.96
isobutyl acetate	553.34
tetrachloromethane	510.42
n-pentyl acetate	697.83
transcutol	3026.52
n-heptanol	593.03
ethylbenzene	353.87
MIBK	658.62
2-propoxyethanol	1403.19
tert-butanol	2441.27
MTBE	1454.36
2-butoxyethanol	810.63
propionic acid	1131.22
o-xylene	359.6
formic acid	364.48
diethyl ether	1040.0
m-xylene	378.77
p-xylene	554.82
chlorobenzene	912.43
dimethyl carbonate	217.14
n-octane	90.39
formamide	390.59
cyclopentanone	1991.53
2-pentanone	985.24
anisole	629.55
cyclopentyl methyl ether	1148.3
gamma-butyrolactone	1983.84
1-methoxy-2-propanol	1269.62
pyridine	1526.15
3-pentanone	634.21
furfural	1548.31
n-dodecane	70.6
diethylene glycol	776.01
diisopropyl ether	388.29
tert-amyl alcohol	1801.96
acetylacetone	1056.71
n-hexadecane	80.79
acetophenone	610.41
methyl propionate	647.87
isopentyl acetate	1275.62
trichloroethylene	2860.73
n-nonanol	550.62
cyclohexanol	1676.48
benzyl alcohol	584.07
2-ethylhexanol	857.61
isooctanol	497.49
dipropyl ether	741.68
1,2-dichlorobenzene	854.45
ethyl lactate	346.89
propylene carbonate	1249.25
n-methylformamide	645.06
2-pentanol	1136.33
n-pentane	237.34
1-propoxy-2-propanol	1232.93
1-methoxy-2-propyl acetate	939.66
2-(2-methoxypropoxy) propanol	806.54
mesitylene	286.07
ε-caprolactone	1783.36
p-cymene	307.25
epichlorohydrin	1999.0
1,1,1-trichloroethane	1893.34
2-aminoethanol	574.93
morpholine-4-carbaldehyde	1383.17
sulfolane	1933.09
2,2,4-trimethylpentane	139.85
2-methyltetrahydrofuran	2179.56
n-hexyl acetate	1128.39
isooctane	117.37
2-(2-butoxyethoxy)ethanol	1104.2
sec-butyl acetate	545.61
tert-butyl acetate	880.15
decalin	231.58
glycerin	565.28
diglyme	1625.24
acrylic acid	783.61
isopropyl myristate	423.06
n-butyric acid	2036.23
acetyl acetate	737.84
di(2-ethylhexyl) phthalate	386.87
ethyl propionate	565.93
nitromethane	1634.05
1,2-diethoxyethane	1024.69
benzonitrile	899.68
trioctyl phosphate	295.22
1-bromopropane	1051.44
gamma-valerolactone	2336.82
n-decanol	408.36
triethyl phosphate	321.6
4-methyl-2-pentanol	621.69
propionitrile	902.25
vinylene carbonate	1014.92
1,1,2-trichlorotrifluoroethane	1417.1
DMS	553.73
cumene	297.55
2-octanol	477.23
2-hexanone	836.2
octyl acetate	530.08
limonene	540.28
1,2-dimethoxyethane	1505.53
ethyl orthosilicate	316.75
tributyl phosphate	372.9
diacetone alcohol	978.75
N,N-dimethylaniline	435.53
acrylonitrile	848.7
aniline	711.09
1,3-propanediol	1105.89
bromobenzene	966.98
dibromomethane	1841.53
1,1,2,2-tetrachloroethane	2778.35
2-methyl-cyclohexyl acetate	692.51
tetrabutyl urea	436.62
diisobutyl methanol	500.15
2-phenylethanol	770.36
styrene	430.62
dioctyl adipate	570.97
dimethyl sulfate	345.07
ethyl butyrate	765.24
methyl lactate	412.6
butyl lactate	603.48
diethyl carbonate	498.14
propanediol butyl ether	927.2
triethyl orthoformate	518.49
p-tert-butyltoluene	315.04
methyl 4-tert-butylbenzoate	628.48
morpholine	2659.39
tert-butylamine	1472.04
n-dodecanol	315.29
dimethoxymethane	715.05
ethylene carbonate	949.47
cyrene	562.52
2-ethoxyethyl acetate	734.09
2-ethylhexyl acetate	911.35
1,2,4-trichlorobenzene	994.36
4-methylpyridine	1465.35
dibutyl ether	777.44
2,6-dimethyl-4-heptanol	500.15
DEF	930.05
dimethyl isosorbide	1153.02
tetrachloroethylene	1666.55
eugenol	627.37
triacetin	727.88
span 80	942.63
1,4-butanediol	391.35
1,1-dichloroethane	1938.66
2-methyl-1-pentanol	861.03
methyl formate	478.61
2-methyl-1-butanol	1104.09
n-decane	122.16
butyronitrile	1242.22
3,7-dimethyl-1-octanol	705.53
1-chlorooctane	429.55
1-chlorotetradecane	179.72
n-nonane	129.25
undecane	88.97
tert-butylcyclohexane	217.73
cyclooctane	168.02
cyclopentanol	1580.33
tetrahydropyran	2637.21
tert-amyl methyl ether	860.91
2,5,8-trioxanonane	1113.43
1-hexene	863.91
2-isopropoxyethanol	642.66
2,2,2-trifluoroethanol	416.49
methyl butyrate	891.85

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