Molecular formula
C9H14O2

SMILES
CCCOC(=O)/C=C/C=C\C

Fragrance
Fruity	91.65%
Green	81.29%
Tropical	66.28%
Sweet	65.61%
Pineapple	59.46%
Apple	50.32%
Fresh	48.16%
Pear	47.67%
Winey	35.73%
Melon	35.5%

 

Flavor
Fruity	39.47%
Green	35.32%
Pungent	26.34%
Sweet	25.6%
Spicy	23.2%
Fatty	19.81%
Cucumber skin	19.69%
Filbert	19.16%
Pear skin	19.15%
Tropical	19.14%

 

Odor impact est.
High

XLogP3-AA
2.5

pKa est.
7.73 (neutral)

Molecular weight
154.21 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
197°C

Flash point

• 74.19 ˚C est.

• propyl (2E,4Z)-hexa-2,4-dienoate
• NSC32680

The chemical propyl (2E,4Z)-hexa-2,4-dienoate is the propyl ester of hexadienoic acid. In industry it is mainly used as a fragrance ingredient and may act as a fragrance fixative in perfumery and cosmetic formulations. It may also be evaluated as a flavor/aroma compound in the food-related sector, subject to regulatory assessment. As a reactive unsaturated ester, it serves as a synthetic intermediate in organic synthesis and can function as a specialty solvent or co-solvent in coatings or inks. It can also be encountered as a building block in polymer or plastics formulation work under appropriate regulatory and formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1838.36
methanol	2138.57
isopropanol	1234.34
water	0.52
ethyl acetate	1399.87
n-propanol	1259.48
acetone	2219.24
n-butanol	1286.85
acetonitrile	1325.07
DMF	3127.15
toluene	674.56
isobutanol	1007.35
1,4-dioxane	1576.12
methyl acetate	1155.48
THF	2299.07
2-butanone	1458.4
n-pentanol	942.62
sec-butanol	1186.96
n-hexane	272.2
ethylene glycol	271.3
NMP	2303.53
cyclohexane	370.3
DMSO	2455.16
n-butyl acetate	1356.38
n-octanol	477.09
chloroform	3039.45
n-propyl acetate	868.38
acetic acid	1760.08
dichloromethane	3163.96
cyclohexanone	1950.7
propylene glycol	389.09
isopropyl acetate	847.08
DMAc	1967.42
2-ethoxyethanol	884.46
isopentanol	1122.61
n-heptane	128.6
ethyl formate	838.34
1,2-dichloroethane	2145.02
n-hexanol	1092.15
2-methoxyethanol	1548.5
isobutyl acetate	515.04
tetrachloromethane	399.49
n-pentyl acetate	628.72
transcutol	2958.86
n-heptanol	370.59
ethylbenzene	418.48
MIBK	747.19
2-propoxyethanol	1238.39
tert-butanol	1556.36
MTBE	1359.37
2-butoxyethanol	594.05
propionic acid	1002.25
o-xylene	407.36
formic acid	397.54
diethyl ether	1374.67
m-xylene	445.14
p-xylene	516.97
chlorobenzene	972.6
dimethyl carbonate	416.0
n-octane	58.76
formamide	578.76
cyclopentanone	2068.55
2-pentanone	1360.21
anisole	770.05
cyclopentyl methyl ether	1185.8
gamma-butyrolactone	2032.5
1-methoxy-2-propanol	1177.74
pyridine	1766.48
3-pentanone	896.08
furfural	1554.62
n-dodecane	50.73
diethylene glycol	804.17
diisopropyl ether	381.22
tert-amyl alcohol	1378.49
acetylacetone	1248.44
n-hexadecane	57.78
acetophenone	719.35
methyl propionate	993.21
isopentyl acetate	1084.58
trichloroethylene	3750.85
n-nonanol	389.28
cyclohexanol	1175.19
benzyl alcohol	618.22
2-ethylhexanol	626.3
isooctanol	313.7
dipropyl ether	613.94
1,2-dichlorobenzene	836.33
ethyl lactate	341.43
propylene carbonate	1140.03
n-methylformamide	1119.34
2-pentanol	991.35
n-pentane	218.09
1-propoxy-2-propanol	926.72
1-methoxy-2-propyl acetate	853.43
2-(2-methoxypropoxy) propanol	652.0
mesitylene	286.52
ε-caprolactone	1550.58
p-cymene	249.18
epichlorohydrin	2254.06
1,1,1-trichloroethane	1662.24
2-aminoethanol	570.67
morpholine-4-carbaldehyde	1568.64
sulfolane	2290.78
2,2,4-trimethylpentane	112.65
2-methyltetrahydrofuran	1875.66
n-hexyl acetate	951.37
isooctane	90.79
2-(2-butoxyethoxy)ethanol	844.77
sec-butyl acetate	595.18
tert-butyl acetate	871.12
decalin	171.07
glycerin	456.94
diglyme	1436.45
acrylic acid	863.49
isopropyl myristate	327.14
n-butyric acid	1582.7
acetyl acetate	823.83
di(2-ethylhexyl) phthalate	308.82
ethyl propionate	721.24
nitromethane	2157.42
1,2-diethoxyethane	1117.63
benzonitrile	882.99
trioctyl phosphate	223.72
1-bromopropane	1417.31
gamma-valerolactone	2015.37
n-decanol	278.61
triethyl phosphate	316.57
4-methyl-2-pentanol	481.58
propionitrile	1092.35
vinylene carbonate	1012.56
1,1,2-trichlorotrifluoroethane	1439.56
DMS	625.38
cumene	264.4
2-octanol	301.12
2-hexanone	958.74
octyl acetate	434.16
limonene	425.19
1,2-dimethoxyethane	1596.93
ethyl orthosilicate	306.48
tributyl phosphate	310.24
diacetone alcohol	863.24
N,N-dimethylaniline	549.31
acrylonitrile	1311.63
aniline	808.06
1,3-propanediol	852.48
bromobenzene	1114.56
dibromomethane	2200.17
1,1,2,2-tetrachloroethane	2762.61
2-methyl-cyclohexyl acetate	531.31
tetrabutyl urea	405.43
diisobutyl methanol	318.16
2-phenylethanol	654.11
styrene	605.88
dioctyl adipate	464.11
dimethyl sulfate	645.28
ethyl butyrate	730.86
methyl lactate	449.01
butyl lactate	454.37
diethyl carbonate	484.81
propanediol butyl ether	616.33
triethyl orthoformate	449.24
p-tert-butyltoluene	239.23
methyl 4-tert-butylbenzoate	528.52
morpholine	2126.15
tert-butylamine	1097.86
n-dodecanol	211.73
dimethoxymethane	1243.69
ethylene carbonate	815.22
cyrene	511.52
2-ethoxyethyl acetate	751.63
2-ethylhexyl acetate	814.02
1,2,4-trichlorobenzene	919.92
4-methylpyridine	1812.61
dibutyl ether	634.25
2,6-dimethyl-4-heptanol	318.16
DEF	1692.89
dimethyl isosorbide	924.96
tetrachloroethylene	1624.31
eugenol	565.62
triacetin	679.31
span 80	606.25
1,4-butanediol	373.77
1,1-dichloroethane	2027.96
2-methyl-1-pentanol	854.38
methyl formate	794.06
2-methyl-1-butanol	1092.49
n-decane	84.15
butyronitrile	1380.14
3,7-dimethyl-1-octanol	461.63
1-chlorooctane	347.14
1-chlorotetradecane	136.29
n-nonane	86.48
undecane	63.28
tert-butylcyclohexane	153.75
cyclooctane	98.2
cyclopentanol	1087.5
tetrahydropyran	1936.14
tert-amyl methyl ether	981.16
2,5,8-trioxanonane	1012.84
1-hexene	857.54
2-isopropoxyethanol	662.98
2,2,2-trifluoroethanol	401.01
methyl butyrate	1098.9

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