Molecular formula
C13H24O2

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

Fragrance
Green	93.01%
Fruity	90.16%
Waxy	67.37%
Tropical	66.07%
Apple	61.31%
Pear	58.87%
Fatty	52.65%
Melon	49.5%
Vegetable	46.4%
Fresh	44.68%

 

Flavor
Green	78.46%
Fruity	77.93%
Waxy	62.47%
Apple	58.33%
Pear	55.12%
Tropical	49.48%
Fresh	43.45%
Sweet	36.26%
Pineapple	36.05%
Melon	34.46%

 

Odor impact est.
Medium

XLogP3-AA
4.3

pKa est.
7.94 (neutral)

Molecular weight
212.33 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
258°C

Flash point

• 116.18 ˚C est.

• SCHEMBL14157060

[(E)-hex-3-enyl] heptanoate is an aroma-ester used primarily as a fragrance ingredient in perfumery and flavor formulations. It is also considered an odorant in cosmetics and personal care products. Potential applications include contributing scent in food and beverage flavorings, adding fragrance to household products and cleaning formulations, and may be used as a solvent or processing aid in certain coating/ink or polymer/plastic processing contexts. Its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	4811.31
methanol	5182.38
isopropanol	3584.65
water	0.11
ethyl acetate	6154.51
n-propanol	3641.66
acetone	10470.97
n-butanol	3479.53
acetonitrile	4983.96
DMF	7781.82
toluene	2957.16
isobutanol	2983.9
1,4-dioxane	5211.79
methyl acetate	3932.57
THF	8273.28
2-butanone	6421.92
n-pentanol	2377.13
sec-butanol	3357.75
n-hexane	1378.4
ethylene glycol	359.13
NMP	6209.5
cyclohexane	1747.36
DMSO	10347.56
n-butyl acetate	4398.56
n-octanol	889.64
chloroform	8975.71
n-propyl acetate	3752.07
acetic acid	3226.91
dichloromethane	10492.57
cyclohexanone	9304.3
propylene glycol	675.77
isopropyl acetate	3698.37
DMAc	4954.6
2-ethoxyethanol	2453.33
isopentanol	3157.86
n-heptane	400.68
ethyl formate	2234.1
1,2-dichloroethane	8743.7
n-hexanol	2213.78
2-methoxyethanol	4041.29
isobutyl acetate	1978.14
tetrachloromethane	1527.67
n-pentyl acetate	2389.79
transcutol	9792.64
n-heptanol	790.05
ethylbenzene	1382.1
MIBK	3064.1
2-propoxyethanol	2896.17
tert-butanol	4223.87
MTBE	6072.53
2-butoxyethanol	1485.92
propionic acid	2470.86
o-xylene	1444.89
formic acid	621.61
diethyl ether	7005.5
m-xylene	1720.68
p-xylene	1620.49
chlorobenzene	3340.13
dimethyl carbonate	1134.8
n-octane	134.96
formamide	1238.48
cyclopentanone	8020.47
2-pentanone	6645.09
anisole	2161.67
cyclopentyl methyl ether	5490.35
gamma-butyrolactone	6729.41
1-methoxy-2-propanol	3227.92
pyridine	6217.41
3-pentanone	4254.92
furfural	4168.37
n-dodecane	78.45
diethylene glycol	1523.51
diisopropyl ether	1752.59
tert-amyl alcohol	3775.15
acetylacetone	4989.27
n-hexadecane	98.46
acetophenone	1961.84
methyl propionate	3919.3
isopentyl acetate	3444.13
trichloroethylene	12181.16
n-nonanol	763.07
cyclohexanol	4137.37
benzyl alcohol	1493.41
2-ethylhexanol	1487.4
isooctanol	732.16
dipropyl ether	2251.72
1,2-dichlorobenzene	2849.37
ethyl lactate	887.3
propylene carbonate	3060.96
n-methylformamide	2962.13
2-pentanol	2774.32
n-pentane	861.75
1-propoxy-2-propanol	2423.85
1-methoxy-2-propyl acetate	2750.93
2-(2-methoxypropoxy) propanol	1465.68
mesitylene	1023.94
ε-caprolactone	5916.18
p-cymene	634.34
epichlorohydrin	7726.29
1,1,1-trichloroethane	6803.97
2-aminoethanol	1124.69
morpholine-4-carbaldehyde	4251.48
sulfolane	7921.79
2,2,4-trimethylpentane	352.07
2-methyltetrahydrofuran	7814.75
n-hexyl acetate	2903.46
isooctane	268.99
2-(2-butoxyethoxy)ethanol	2216.45
sec-butyl acetate	2387.61
tert-butyl acetate	3406.7
decalin	632.01
glycerin	802.65
diglyme	4024.72
acrylic acid	1722.03
isopropyl myristate	832.67
n-butyric acid	4543.12
acetyl acetate	2681.85
di(2-ethylhexyl) phthalate	686.83
ethyl propionate	3075.31
nitromethane	6254.74
1,2-diethoxyethane	4301.4
benzonitrile	2444.5
trioctyl phosphate	493.29
1-bromopropane	6026.6
gamma-valerolactone	7066.01
n-decanol	508.55
triethyl phosphate	807.58
4-methyl-2-pentanol	1316.17
propionitrile	3467.04
vinylene carbonate	2501.61
1,1,2-trichlorotrifluoroethane	4137.2
DMS	1913.82
cumene	778.2
2-octanol	687.55
2-hexanone	3866.7
octyl acetate	1043.07
limonene	1266.54
1,2-dimethoxyethane	4570.56
ethyl orthosilicate	835.53
tributyl phosphate	770.68
diacetone alcohol	2760.9
N,N-dimethylaniline	1395.53
acrylonitrile	3683.61
aniline	2843.62
1,3-propanediol	1806.09
bromobenzene	4165.86
dibromomethane	7745.44
1,1,2,2-tetrachloroethane	9704.4
2-methyl-cyclohexyl acetate	1580.45
tetrabutyl urea	1013.39
diisobutyl methanol	789.11
2-phenylethanol	1457.27
styrene	2021.72
dioctyl adipate	1227.37
dimethyl sulfate	1849.29
ethyl butyrate	2410.12
methyl lactate	1117.07
butyl lactate	1463.11
diethyl carbonate	1306.57
propanediol butyl ether	1499.24
triethyl orthoformate	1370.86
p-tert-butyltoluene	598.85
methyl 4-tert-butylbenzoate	1314.76
morpholine	7599.12
tert-butylamine	3019.26
n-dodecanol	366.75
dimethoxymethane	3868.94
ethylene carbonate	2274.12
cyrene	1159.55
2-ethoxyethyl acetate	2703.71
2-ethylhexyl acetate	2709.78
1,2,4-trichlorobenzene	3062.0
4-methylpyridine	6467.52
dibutyl ether	2374.54
2,6-dimethyl-4-heptanol	789.11
DEF	6381.36
dimethyl isosorbide	2424.37
tetrachloroethylene	5853.28
eugenol	1247.24
triacetin	1951.16
span 80	1410.15
1,4-butanediol	725.91
1,1-dichloroethane	7850.02
2-methyl-1-pentanol	2224.24
methyl formate	1795.81
2-methyl-1-butanol	3070.5
n-decane	161.16
butyronitrile	4420.83
3,7-dimethyl-1-octanol	1052.7
1-chlorooctane	918.68
1-chlorotetradecane	286.7
n-nonane	178.64
undecane	106.68
tert-butylcyclohexane	492.49
cyclooctane	424.21
cyclopentanol	3400.94
tetrahydropyran	9324.72
tert-amyl methyl ether	3784.09
2,5,8-trioxanonane	2380.45
1-hexene	3648.18
2-isopropoxyethanol	1897.27
2,2,2-trifluoroethanol	732.84
methyl butyrate	4266.61

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