Molecular formula
C14H26O2

SMILES
CCCCCCOC(=O)C=CCCCCC

Fragrance
Green	81.32%
Fruity	78.13%
Fatty	70.11%
Waxy	65.57%
Oily	52.07%
Pear	51.87%
Tropical	44.51%
Melon	43.44%
Herbal	40.14%
Fresh	40.09%

 

Flavor
Fruity	70.82%
Green	66.8%
Waxy	61.78%
Pear	41.8%
Fatty	41.08%
Apple	39.52%
Oily	38.36%
Tropical	34.33%
Sweet	32.53%
Herbal	32.48%

 

Odor impact est.
Medium

XLogP3-AA
5.3

pKa est.
7.38 (neutral)

Molecular weight
226.35 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
282°C

Flash point

• 126.3 ˚C est.

• hexyl (E)-2-octenoate
• DTXSID40234741

Hexyl (E)-2-octenoate is an aroma-related ester widely used as a fragrance ingredient. In perfumery and cosmetics, it commonly serves as a fragrance component and may provide a light fixative effect in formulations for perfumes and personal care products. It is also used in household products such as air fresheners and cleaners to impart pleasant scents. In food processing, it may be evaluated as a flavor/aroma ingredient under safety and regulatory constraints. In industrial applications, it can be used as a fragrance additive or scent modifier in coatings, inks, and plastic polymers, depending on formulation requirements and local regulatory limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	7489.82
methanol	7326.69
isopropanol	5907.16
water	0.07
ethyl acetate	10062.41
n-propanol	5673.06
acetone	16491.7
n-butanol	5168.4
acetonitrile	6895.66
DMF	11762.12
toluene	3706.41
isobutanol	4629.02
1,4-dioxane	6832.08
methyl acetate	6001.99
THF	12591.21
2-butanone	10364.37
n-pentanol	3158.96
sec-butanol	5242.03
n-hexane	1759.4
ethylene glycol	407.44
NMP	8562.3
cyclohexane	2626.26
DMSO	13368.85
n-butyl acetate	6357.65
n-octanol	1117.59
chloroform	10884.22
n-propyl acetate	5585.65
acetic acid	3876.77
dichloromethane	13973.02
cyclohexanone	14287.03
propylene glycol	885.48
isopropyl acetate	6067.21
DMAc	6823.15
2-ethoxyethanol	3247.08
isopentanol	4582.3
n-heptane	541.84
ethyl formate	3490.9
1,2-dichloroethane	13508.04
n-hexanol	2945.79
2-methoxyethanol	6035.12
isobutyl acetate	2714.53
tetrachloromethane	1924.15
n-pentyl acetate	3437.37
transcutol	11237.22
n-heptanol	1101.28
ethylbenzene	1640.69
MIBK	4574.85
2-propoxyethanol	3875.84
tert-butanol	6461.02
MTBE	9055.76
2-butoxyethanol	2045.79
propionic acid	3361.49
o-xylene	1823.28
formic acid	666.11
diethyl ether	9997.66
m-xylene	2192.52
p-xylene	2019.22
chlorobenzene	4448.22
dimethyl carbonate	1610.33
n-octane	193.22
formamide	1588.7
cyclopentanone	11921.01
2-pentanone	10857.04
anisole	2747.96
cyclopentyl methyl ether	8497.54
gamma-butyrolactone	10192.83
1-methoxy-2-propanol	5015.39
pyridine	8533.68
3-pentanone	6516.34
furfural	5774.99
n-dodecane	105.09
diethylene glycol	1903.86
diisopropyl ether	2679.13
tert-amyl alcohol	5491.04
acetylacetone	7739.62
n-hexadecane	129.45
acetophenone	2545.13
methyl propionate	6215.78
isopentyl acetate	5209.69
trichloroethylene	18080.47
n-nonanol	958.46
cyclohexanol	5910.08
benzyl alcohol	1841.21
2-ethylhexanol	1990.5
isooctanol	1012.54
dipropyl ether	3301.9
1,2-dichlorobenzene	3699.62
ethyl lactate	1255.19
propylene carbonate	4398.67
n-methylformamide	4572.45
2-pentanol	4292.92
n-pentane	1221.42
1-propoxy-2-propanol	3427.75
1-methoxy-2-propyl acetate	4164.24
2-(2-methoxypropoxy) propanol	1702.42
mesitylene	1315.92
ε-caprolactone	8910.26
p-cymene	796.66
epichlorohydrin	11756.27
1,1,1-trichloroethane	10097.71
2-aminoethanol	1502.14
morpholine-4-carbaldehyde	5724.16
sulfolane	11176.5
2,2,4-trimethylpentane	433.47
2-methyltetrahydrofuran	12400.61
n-hexyl acetate	3987.02
isooctane	358.84
2-(2-butoxyethoxy)ethanol	2704.55
sec-butyl acetate	3562.96
tert-butyl acetate	5381.76
decalin	770.79
glycerin	929.86
diglyme	5188.88
acrylic acid	2142.36
isopropyl myristate	1100.35
n-butyric acid	6904.25
acetyl acetate	3949.0
di(2-ethylhexyl) phthalate	815.07
ethyl propionate	4676.29
nitromethane	8592.63
1,2-diethoxyethane	5764.78
benzonitrile	3099.77
trioctyl phosphate	628.23
1-bromopropane	9037.0
gamma-valerolactone	10775.89
n-decanol	648.09
triethyl phosphate	1025.04
4-methyl-2-pentanol	1893.82
propionitrile	4993.68
vinylene carbonate	3508.33
1,1,2-trichlorotrifluoroethane	5441.99
DMS	2462.81
cumene	925.47
2-octanol	963.63
2-hexanone	5541.6
octyl acetate	1374.17
limonene	1706.14
1,2-dimethoxyethane	6123.96
ethyl orthosilicate	1074.34
tributyl phosphate	965.26
diacetone alcohol	4203.85
N,N-dimethylaniline	1680.88
acrylonitrile	5066.27
aniline	3576.43
1,3-propanediol	2594.51
bromobenzene	5365.27
dibromomethane	10182.22
1,1,2,2-tetrachloroethane	14373.31
2-methyl-cyclohexyl acetate	2111.62
tetrabutyl urea	1271.25
diisobutyl methanol	1117.12
2-phenylethanol	1788.72
styrene	2434.55
dioctyl adipate	1507.37
dimethyl sulfate	2385.13
ethyl butyrate	3579.81
methyl lactate	1641.4
butyl lactate	1969.08
diethyl carbonate	1797.02
propanediol butyl ether	1829.8
triethyl orthoformate	1909.36
p-tert-butyltoluene	765.52
methyl 4-tert-butylbenzoate	1671.73
morpholine	11210.35
tert-butylamine	4647.24
n-dodecanol	473.13
dimethoxymethane	5898.6
ethylene carbonate	3247.8
cyrene	1360.74
2-ethoxyethyl acetate	3765.92
2-ethylhexyl acetate	3911.32
1,2,4-trichlorobenzene	3955.32
4-methylpyridine	8674.07
dibutyl ether	3294.36
2,6-dimethyl-4-heptanol	1117.12
DEF	10146.38
dimethyl isosorbide	3011.85
tetrachloroethylene	8185.1
eugenol	1493.76
triacetin	2425.75
span 80	1713.37
1,4-butanediol	888.01
1,1-dichloroethane	12431.69
2-methyl-1-pentanol	2779.59
methyl formate	2644.18
2-methyl-1-butanol	4444.21
n-decane	216.02
butyronitrile	6565.81
3,7-dimethyl-1-octanol	1385.83
1-chlorooctane	1232.14
1-chlorotetradecane	371.24
n-nonane	243.98
undecane	141.22
tert-butylcyclohexane	616.82
cyclooctane	617.82
cyclopentanol	5230.11
tetrahydropyran	14019.92
tert-amyl methyl ether	5511.46
2,5,8-trioxanonane	2901.26
1-hexene	4874.02
2-isopropoxyethanol	2495.88
2,2,2-trifluoroethanol	878.78
methyl butyrate	6742.3

Scent© AI