Molecular formula
C9H14O2

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

Fragrance
Fruity	93.47%
Green	82.91%
Apple	56.65%
Tropical	52.45%
Pineapple	49.88%
Sweet	39.77%
Ethereal	35.45%
Sharp	31.55%
Fresh	30.98%
Rummy	30.58%

 

Flavor
Fruity	52.45%
Sweet	25.26%
Berry	25.06%
Caramel	23.53%
Tropical	23.5%
Spicy	22.6%
Filbert	20.24%
Roquefort cheese	19.72%
Broccoli	19.71%
Cucumber skin	19.51%

 

Odor impact est.
High

XLogP3-AA
2.7

pKa est.
8.23 (weak base)

Molecular weight
154.21 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
190°C

Flash point

• 65.84 ˚C est.

3-Methylbuta-1,3-dienyl butanoate is used as a dienic ester that can participate in polymerization or crosslinking, serving as a diene monomer or crosslinking agent in polymers/plastics. In coatings and inks, it may act as a reactive diluent or crosslinkable monomer in UV-curable formulations to improve cure, flexibility, and film properties. In perfumery, it can be used as a fragrance ingredient or odorant, contributing to the scent profile of formulations. In cosmetics and personal care, it may be evaluated as a fragrance component. In industrial manufacturing and specialty chemicals, it can function as an intermediate or building block for the synthesis of functional compounds.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	967.83
methanol	973.42
isopropanol	810.64
water	0.88
ethyl acetate	652.11
n-propanol	730.51
acetone	1120.06
n-butanol	760.9
acetonitrile	563.66
DMF	1270.33
toluene	193.84
isobutanol	581.75
1,4-dioxane	993.48
methyl acetate	554.27
THF	1749.99
2-butanone	738.73
n-pentanol	516.13
sec-butanol	731.91
n-hexane	122.19
ethylene glycol	128.63
NMP	1275.02
cyclohexane	152.31
DMSO	1055.81
n-butyl acetate	639.01
n-octanol	326.22
chloroform	1408.06
n-propyl acetate	408.15
acetic acid	1365.0
dichloromethane	1079.84
cyclohexanone	1195.05
propylene glycol	304.07
isopropyl acetate	402.79
DMAc	912.22
2-ethoxyethanol	430.44
isopentanol	617.84
n-heptane	55.25
ethyl formate	402.75
1,2-dichloroethane	661.22
n-hexanol	611.86
2-methoxyethanol	886.78
isobutyl acetate	271.51
tetrachloromethane	111.07
n-pentyl acetate	314.13
transcutol	1938.19
n-heptanol	237.39
ethylbenzene	175.68
MIBK	373.25
2-propoxyethanol	711.21
tert-butanol	1001.29
MTBE	570.41
2-butoxyethanol	339.49
propionic acid	677.32
o-xylene	166.91
formic acid	243.97
diethyl ether	481.06
m-xylene	180.17
p-xylene	242.78
chlorobenzene	427.4
dimethyl carbonate	186.5
n-octane	26.85
formamide	290.35
cyclopentanone	1260.56
2-pentanone	648.11
anisole	379.71
cyclopentyl methyl ether	698.16
gamma-butyrolactone	1315.39
1-methoxy-2-propanol	742.62
pyridine	775.54
3-pentanone	412.41
furfural	939.05
n-dodecane	27.48
diethylene glycol	457.23
diisopropyl ether	170.52
tert-amyl alcohol	831.61
acetylacetone	654.35
n-hexadecane	31.02
acetophenone	372.07
methyl propionate	460.33
isopentyl acetate	552.52
trichloroethylene	1399.81
n-nonanol	277.32
cyclohexanol	723.22
benzyl alcohol	333.48
2-ethylhexanol	358.82
isooctanol	195.64
dipropyl ether	301.72
1,2-dichlorobenzene	379.64
ethyl lactate	218.59
propylene carbonate	805.08
n-methylformamide	482.96
2-pentanol	577.25
n-pentane	83.61
1-propoxy-2-propanol	586.72
1-methoxy-2-propyl acetate	492.13
2-(2-methoxypropoxy) propanol	464.22
mesitylene	128.2
ε-caprolactone	939.83
p-cymene	126.78
epichlorohydrin	1190.31
1,1,1-trichloroethane	676.48
2-aminoethanol	328.22
morpholine-4-carbaldehyde	937.4
sulfolane	1378.12
2,2,4-trimethylpentane	54.0
2-methyltetrahydrofuran	1248.61
n-hexyl acetate	581.89
isooctane	43.13
2-(2-butoxyethoxy)ethanol	618.54
sec-butyl acetate	275.7
tert-butyl acetate	443.54
decalin	78.12
glycerin	326.31
diglyme	846.99
acrylic acid	524.92
isopropyl myristate	217.19
n-butyric acid	1040.94
acetyl acetate	426.64
di(2-ethylhexyl) phthalate	203.5
ethyl propionate	351.33
nitromethane	1279.51
1,2-diethoxyethane	501.37
benzonitrile	452.73
trioctyl phosphate	156.05
1-bromopropane	439.35
gamma-valerolactone	1302.74
n-decanol	199.46
triethyl phosphate	177.04
4-methyl-2-pentanol	290.08
propionitrile	467.92
vinylene carbonate	671.3
1,1,2-trichlorotrifluoroethane	797.02
DMS	356.41
cumene	135.48
2-octanol	197.39
2-hexanone	488.56
octyl acetate	285.9
limonene	224.24
1,2-dimethoxyethane	848.94
ethyl orthosilicate	167.47
tributyl phosphate	217.52
diacetone alcohol	569.54
N,N-dimethylaniline	266.13
acrylonitrile	516.83
aniline	353.53
1,3-propanediol	538.93
bromobenzene	415.95
dibromomethane	769.35
1,1,2,2-tetrachloroethane	1204.98
2-methyl-cyclohexyl acetate	339.65
tetrabutyl urea	264.86
diisobutyl methanol	196.73
2-phenylethanol	365.56
styrene	221.35
dioctyl adipate	324.0
dimethyl sulfate	294.73
ethyl butyrate	372.01
methyl lactate	279.28
butyl lactate	295.11
diethyl carbonate	262.27
propanediol butyl ether	473.74
triethyl orthoformate	262.07
p-tert-butyltoluene	125.11
methyl 4-tert-butylbenzoate	346.08
morpholine	1290.81
tert-butylamine	551.54
n-dodecanol	151.46
dimethoxymethane	562.6
ethylene carbonate	541.73
cyrene	377.77
2-ethoxyethyl acetate	377.02
2-ethylhexyl acetate	403.18
1,2,4-trichlorobenzene	469.8
4-methylpyridine	778.8
dibutyl ether	373.93
2,6-dimethyl-4-heptanol	196.73
DEF	691.34
dimethyl isosorbide	694.64
tetrachloroethylene	629.49
eugenol	343.02
triacetin	456.11
span 80	494.23
1,4-butanediol	193.38
1,1-dichloroethane	757.59
2-methyl-1-pentanol	488.8
methyl formate	380.63
2-methyl-1-butanol	580.1
n-decane	45.09
butyronitrile	609.21
3,7-dimethyl-1-octanol	335.32
1-chlorooctane	195.39
1-chlorotetradecane	78.01
n-nonane	42.95
undecane	34.02
tert-butylcyclohexane	77.97
cyclooctane	40.45
cyclopentanol	781.79
tetrahydropyran	1132.37
tert-amyl methyl ether	428.04
2,5,8-trioxanonane	629.95
1-hexene	352.58
2-isopropoxyethanol	326.06
2,2,2-trifluoroethanol	267.05
methyl butyrate	512.73

Scent© AI