Molecular formula
C9H16O2

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

Fragrance
Fruity	97.84%
Green	79.43%
Apple	72.35%
Tropical	66.18%
Pineapple	63.29%
Sweet	61.23%
Banana	52.05%
Berry	44.42%
Pear	44.19%
Ripe	43.59%

 

Flavor
Fruity	86.03%
Sweet	71.16%
Green	58.52%
Tropical	49.58%
Apple	48.33%
Berry	44.84%
Floral	39.35%
Rose	33.0%
Pineapple	32.98%
Banana	32.82%

 

Odor impact est.
High

XLogP3-AA
2.7

pKa est.
8.84 (weak base)

Molecular weight
156.22 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Fast

Boiling point est.
187°C

Flash point

• 62.83 ˚C est.

Solubility expt.

• Practically insoluble to insoluble in water
• Soluble (in ethanol)

• Prenyl isobutyrate
• 76649-23-5
• 3-methylbut-2-enyl 2-methylpropanoate
• 3-Methylbut-2-enyl isobutyrate
• Propanoic acid, 2-methyl-, 3-methyl-2-butenyl ester
• UNII-6W5A030WDT
• 6W5A030WDT
• Propanoic acid, 2-methyl-, 3-methyl-2-buten-1-yl ester
• EINECS 278-516-2
• Propanoic acid,2-methyl-, 3-methyl-2-buten-1-yl ester
• DTXSID6072841
• FEMA NO. 4206
• PRENYL ISOBUTYRATE [FHFI]
• 3-methylbut-2-en-1-yl 2-methylpropanoate
• ISOBUTYRIC ACID, 3-METHYL-2-BUTENYL ESTER
• PRENYL-ISOBUTYRATE
• SCHEMBL2150269
• DTXCID0047909
• CHEBI:171775
• AKOS006241423
• 3-Methyl-2-butenyl 2-methylpropanoate #
• NS00022766
• Q27265613

Prenyl isobutyrate is commonly used as a fragrance ingredient and odorant in perfumery, serving as a base or supporting note and as an intermediate for the synthesis of more complex aroma compounds. In the flavor domain, it may be considered as an aroma chemical in controlled formulations. In cosmetics and personal care, it appears as a fragrance component within creams, lotions, and cleansers. In household products such as detergents and cleaners, it is used to impart fragrance as part of fragrance systems. In industrial manufacturing, it is typically evaluated as an intermediate in the synthesis of other fragrance ingredients and aroma materials, and may be used to adjust fragrance profiles in compliance with applicable regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2995.4
methanol	2881.58
isopropanol	2928.38
water	12.11
ethyl acetate	2169.34
n-propanol	2358.88
acetone	2800.0
n-butanol	2517.09
acetonitrile	2520.47
DMF	2163.48
toluene	1097.52
isobutanol	2349.71
1,4-dioxane	3409.61
methyl acetate	1998.0
THF	3288.59
2-butanone	2240.59
n-pentanol	1767.63
sec-butanol	3146.58
n-hexane	991.82
ethylene glycol	365.18
NMP	2227.25
cyclohexane	1118.24
DMSO	1275.67
n-butyl acetate	1710.91
n-octanol	975.27
chloroform	6713.45
n-propyl acetate	1427.38
acetic acid	4304.24
dichloromethane	4070.22
cyclohexanone	2915.27
propylene glycol	656.07
isopropyl acetate	1509.22
DMAc	2277.67
2-ethoxyethanol	1746.28
isopentanol	2504.69
n-heptane	288.39
ethyl formate	1390.56
1,2-dichloroethane	2396.06
n-hexanol	1770.71
2-methoxyethanol	2344.35
isobutyl acetate	930.07
tetrachloromethane	1569.01
n-pentyl acetate	1044.26
transcutol	3859.17
n-heptanol	952.43
ethylbenzene	832.37
MIBK	1195.66
2-propoxyethanol	1796.87
tert-butanol	4077.61
MTBE	3571.9
2-butoxyethanol	1233.55
propionic acid	1984.95
o-xylene	833.68
formic acid	1102.63
diethyl ether	2681.86
m-xylene	786.8
p-xylene	1324.24
chlorobenzene	1369.71
dimethyl carbonate	478.19
n-octane	140.32
formamide	1438.31
cyclopentanone	2364.89
2-pentanone	1852.64
anisole	1232.27
cyclopentyl methyl ether	1841.05
gamma-butyrolactone	2421.47
1-methoxy-2-propanol	1629.32
pyridine	2301.5
3-pentanone	1315.71
furfural	2145.43
n-dodecane	91.44
diethylene glycol	1030.47
diisopropyl ether	902.96
tert-amyl alcohol	3928.58
acetylacetone	1635.24
n-hexadecane	102.58
acetophenone	1147.73
methyl propionate	1228.55
isopentyl acetate	1659.98
trichloroethylene	5172.18
n-nonanol	855.58
cyclohexanol	2602.27
benzyl alcohol	1027.0
2-ethylhexanol	1147.16
isooctanol	778.48
dipropyl ether	954.93
1,2-dichlorobenzene	1213.53
ethyl lactate	555.94
propylene carbonate	1611.43
n-methylformamide	1346.66
2-pentanol	2154.32
n-pentane	669.51
1-propoxy-2-propanol	1372.65
1-methoxy-2-propyl acetate	1107.79
2-(2-methoxypropoxy) propanol	969.62
mesitylene	557.12
ε-caprolactone	2506.67
p-cymene	448.3
epichlorohydrin	2752.19
1,1,1-trichloroethane	3919.98
2-aminoethanol	1003.52
morpholine-4-carbaldehyde	2290.57
sulfolane	1980.7
2,2,4-trimethylpentane	372.64
2-methyltetrahydrofuran	3375.06
n-hexyl acetate	1634.45
isooctane	239.29
2-(2-butoxyethoxy)ethanol	1385.97
sec-butyl acetate	1182.01
tert-butyl acetate	1572.4
decalin	448.53
glycerin	702.06
diglyme	2278.1
acrylic acid	1560.72
isopropyl myristate	494.08
n-butyric acid	3147.16
acetyl acetate	1437.86
di(2-ethylhexyl) phthalate	451.63
ethyl propionate	1117.71
nitromethane	3842.71
1,2-diethoxyethane	1567.92
benzonitrile	1373.31
trioctyl phosphate	332.3
1-bromopropane	1922.96
gamma-valerolactone	3121.31
n-decanol	575.57
triethyl phosphate	447.75
4-methyl-2-pentanol	1141.57
propionitrile	1599.66
vinylene carbonate	1389.96
1,1,2-trichlorotrifluoroethane	2277.55
DMS	837.92
cumene	604.04
2-octanol	736.77
2-hexanone	1520.68
octyl acetate	662.23
limonene	746.53
1,2-dimethoxyethane	2791.67
ethyl orthosilicate	509.26
tributyl phosphate	448.84
diacetone alcohol	1494.83
N,N-dimethylaniline	843.8
acrylonitrile	1566.05
aniline	1297.78
1,3-propanediol	1574.3
bromobenzene	1384.01
dibromomethane	3040.32
1,1,2,2-tetrachloroethane	4818.02
2-methyl-cyclohexyl acetate	920.76
tetrabutyl urea	492.34
diisobutyl methanol	586.96
2-phenylethanol	983.43
styrene	958.99
dioctyl adipate	633.34
dimethyl sulfate	622.02
ethyl butyrate	1061.45
methyl lactate	563.99
butyl lactate	716.01
diethyl carbonate	700.12
propanediol butyl ether	1067.02
triethyl orthoformate	764.12
p-tert-butyltoluene	431.55
methyl 4-tert-butylbenzoate	815.47
morpholine	3949.84
tert-butylamine	3196.31
n-dodecanol	405.47
dimethoxymethane	1209.6
ethylene carbonate	1302.37
cyrene	777.43
2-ethoxyethyl acetate	1105.52
2-ethylhexyl acetate	1299.96
1,2,4-trichlorobenzene	1465.78
4-methylpyridine	2666.74
dibutyl ether	1124.53
2,6-dimethyl-4-heptanol	586.96
DEF	2084.85
dimethyl isosorbide	1306.12
tetrachloroethylene	3284.51
eugenol	787.99
triacetin	1043.05
span 80	970.46
1,4-butanediol	672.4
1,1-dichloroethane	3854.46
2-methyl-1-pentanol	1923.7
methyl formate	990.12
2-methyl-1-butanol	2517.18
n-decane	179.72
butyronitrile	2100.61
3,7-dimethyl-1-octanol	929.65
1-chlorooctane	662.04
1-chlorotetradecane	224.81
n-nonane	183.62
undecane	120.32
tert-butylcyclohexane	438.86
cyclooctane	287.74
cyclopentanol	1989.33
tetrahydropyran	3790.11
tert-amyl methyl ether	2431.65
2,5,8-trioxanonane	1272.39
1-hexene	1948.61
2-isopropoxyethanol	1337.63
2,2,2-trifluoroethanol	1206.27
methyl butyrate	1641.97

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