Molecular formula
C9H16O2

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

Fragrance
Fruity	94.35%
Apple	67.48%
Green	54.73%
Sweet	51.58%
Pineapple	48.85%
Tropical	45.24%
Chamomile	43.32%
Herbal	41.61%
Winey	40.89%
Banana	40.7%

 

Flavor
Fruity	42.69%
Green	35.25%
Sweet	33.1%
Tropical	26.44%
Berry	22.53%
Cheese	22.42%
Pungent	22.12%
Caramel	21.45%
Spicy	21.21%
Filbert	20.29%

 

Odor impact est.
Medium

XLogP3-AA
2.6

pKa est.
8.17 (weak base)

Molecular weight
156.22 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Fast

Boiling point est.
189°C

Flash point

• 60.47 ˚C est.

• 2-Methylbutyl-2-butenoat

2-Methylbutyl-2-butenoate can be used as an odorant and fragrance ingredient in perfumery, cosmetics/personal care, and household products; it may also serve as a synthetic intermediate in organic chemistry; given its crotonate structure, it can function as a plasticizer or processing aid for polymers and coatings; it may be considered for cosmetic formulations as a fragrance or texture-modifying ingredient; in industrial manufacturing, it can act as a building block for crotonate derivatives used in resins, paints, and inks, subject to regulatory requirements.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2458.55
methanol	2028.4
isopropanol	2200.57
water	0.74
ethyl acetate	1578.79
n-propanol	1813.44
acetone	2157.17
n-butanol	1762.47
acetonitrile	1646.74
DMF	1951.45
toluene	626.04
isobutanol	1601.44
1,4-dioxane	2124.75
methyl acetate	1364.3
THF	2633.48
2-butanone	1818.96
n-pentanol	1245.17
sec-butanol	2119.11
n-hexane	395.34
ethylene glycol	198.6
NMP	1391.96
cyclohexane	529.27
DMSO	1391.67
n-butyl acetate	1594.77
n-octanol	655.4
chloroform	3759.95
n-propyl acetate	1011.71
acetic acid	1867.81
dichloromethane	2712.16
cyclohexanone	2343.49
propylene glycol	463.27
isopropyl acetate	939.25
DMAc	1350.46
2-ethoxyethanol	917.13
isopentanol	1659.34
n-heptane	150.8
ethyl formate	936.58
1,2-dichloroethane	1852.39
n-hexanol	1551.61
2-methoxyethanol	1504.21
isobutyl acetate	631.07
tetrachloromethane	532.87
n-pentyl acetate	755.83
transcutol	3010.61
n-heptanol	585.22
ethylbenzene	454.4
MIBK	806.73
2-propoxyethanol	1420.81
tert-butanol	2587.18
MTBE	1988.86
2-butoxyethanol	758.8
propionic acid	1249.33
o-xylene	434.5
formic acid	342.2
diethyl ether	1561.68
m-xylene	454.34
p-xylene	635.83
chlorobenzene	1042.63
dimethyl carbonate	282.17
n-octane	72.81
formamide	448.55
cyclopentanone	1963.3
2-pentanone	1389.3
anisole	803.22
cyclopentyl methyl ether	1189.58
gamma-butyrolactone	1910.4
1-methoxy-2-propanol	1179.46
pyridine	1995.48
3-pentanone	857.75
furfural	1567.85
n-dodecane	62.12
diethylene glycol	738.07
diisopropyl ether	470.29
tert-amyl alcohol	2356.31
acetylacetone	1104.61
n-hexadecane	71.02
acetophenone	719.12
methyl propionate	900.05
isopentyl acetate	1404.27
trichloroethylene	3599.27
n-nonanol	527.25
cyclohexanol	1640.11
benzyl alcohol	693.79
2-ethylhexanol	845.53
isooctanol	498.63
dipropyl ether	678.05
1,2-dichlorobenzene	846.04
ethyl lactate	356.04
propylene carbonate	1139.03
n-methylformamide	845.23
2-pentanol	1466.04
n-pentane	271.89
1-propoxy-2-propanol	1139.81
1-methoxy-2-propyl acetate	905.01
2-(2-methoxypropoxy) propanol	724.82
mesitylene	307.82
ε-caprolactone	1871.56
p-cymene	295.98
epichlorohydrin	2304.25
1,1,1-trichloroethane	2102.13
2-aminoethanol	547.71
morpholine-4-carbaldehyde	1371.51
sulfolane	1748.18
2,2,4-trimethylpentane	159.55
2-methyltetrahydrofuran	2365.92
n-hexyl acetate	1125.91
isooctane	131.7
2-(2-butoxyethoxy)ethanol	956.84
sec-butyl acetate	699.83
tert-butyl acetate	917.66
decalin	216.98
glycerin	444.56
diglyme	1560.68
acrylic acid	905.03
isopropyl myristate	372.72
n-butyric acid	2028.54
acetyl acetate	803.23
di(2-ethylhexyl) phthalate	334.9
ethyl propionate	745.17
nitromethane	1940.36
1,2-diethoxyethane	1147.66
benzonitrile	1098.85
trioctyl phosphate	241.91
1-bromopropane	1413.35
gamma-valerolactone	2067.02
n-decanol	363.87
triethyl phosphate	295.43
4-methyl-2-pentanol	721.36
propionitrile	1365.66
vinylene carbonate	1048.0
1,1,2-trichlorotrifluoroethane	1376.74
DMS	581.64
cumene	327.88
2-octanol	484.07
2-hexanone	1136.74
octyl acetate	485.47
limonene	496.75
1,2-dimethoxyethane	1763.33
ethyl orthosilicate	300.6
tributyl phosphate	318.13
diacetone alcohol	960.93
N,N-dimethylaniline	517.33
acrylonitrile	1324.4
aniline	857.02
1,3-propanediol	977.48
bromobenzene	1117.85
dibromomethane	2062.12
1,1,2,2-tetrachloroethane	3024.17
2-methyl-cyclohexyl acetate	618.4
tetrabutyl urea	375.73
diisobutyl methanol	447.76
2-phenylethanol	806.52
styrene	603.25
dioctyl adipate	487.93
dimethyl sulfate	390.05
ethyl butyrate	822.82
methyl lactate	395.01
butyl lactate	530.37
diethyl carbonate	515.05
propanediol butyl ether	800.68
triethyl orthoformate	498.69
p-tert-butyltoluene	293.49
methyl 4-tert-butylbenzoate	581.57
morpholine	2781.86
tert-butylamine	1648.6
n-dodecanol	272.57
dimethoxymethane	810.23
ethylene carbonate	877.71
cyrene	524.05
2-ethoxyethyl acetate	807.12
2-ethylhexyl acetate	1001.55
1,2,4-trichlorobenzene	988.32
4-methylpyridine	2027.01
dibutyl ether	752.22
2,6-dimethyl-4-heptanol	447.76
DEF	1394.06
dimethyl isosorbide	960.08
tetrachloroethylene	1822.24
eugenol	621.75
triacetin	705.08
span 80	747.18
1,4-butanediol	395.34
1,1-dichloroethane	2416.57
2-methyl-1-pentanol	1237.88
methyl formate	623.91
2-methyl-1-butanol	1619.11
n-decane	107.76
butyronitrile	1845.66
3,7-dimethyl-1-octanol	673.1
1-chlorooctane	422.6
1-chlorotetradecane	162.07
n-nonane	108.89
undecane	79.23
tert-butylcyclohexane	211.26
cyclooctane	127.75
cyclopentanol	1498.82
tetrahydropyran	2667.81
tert-amyl methyl ether	1265.6
2,5,8-trioxanonane	967.22
1-hexene	1150.12
2-isopropoxyethanol	750.08
2,2,2-trifluoroethanol	388.77
methyl butyrate	1190.36

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