Molecular formula
C9H16O2

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

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%

Scent© AI

XLogP3-AA
2.7

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 est.
62.83 ˚C

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

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

Scent© AI