Molecular formula
C12H20O2

SMILES
CCCCCCOC(=O)/C=C/C=C/C

Fragrance
Green	89.02%
Fruity	87.08%
Tropical	67.31%
Waxy	58.25%
Pear	56.52%
Fresh	48.26%
Apple	47.75%
Fatty	47.36%
Melon	46.81%
Pineapple	45.32%

 

Flavor
Green	65.55%
Fruity	47.55%
Fatty	42.66%
Pear	32.0%
Waxy	31.33%
Apple	30.74%
Sweet	29.63%
Oily	29.38%
Grassy	29.19%
Vegetable	29.12%

 

Odor impact est.
High

XLogP3-AA
3.9

pKa est.
7.71 (neutral)

Molecular weight
196.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
252°C

Flash point

• 112.59 ˚C est.

• hexane sorbate
• CHEMBL250416
• SCHEMBL1656167

Hexane sorbate is used as a solvent and processing aid in industrial manufacturing, particularly in coatings, inks, and adhesives; it may function as a plasticizer or processing additive for polymers/plastics; it serves as an intermediate in organic synthesis; in perfumery and cosmetics it can act as a fragrance ingredient or fixative; and it is also employed as a solvent or carrier in cleaning and household products.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	5275.15
methanol	5544.35
isopropanol	2998.23
water	0.11
ethyl acetate	5196.84
n-propanol	3236.33
acetone	8033.22
n-butanol	2914.13
acetonitrile	4118.9
DMF	7017.02
toluene	2008.79
isobutanol	2349.29
1,4-dioxane	3858.78
methyl acetate	3252.7
THF	6985.69
2-butanone	5096.13
n-pentanol	1792.24
sec-butanol	2635.05
n-hexane	510.48
ethylene glycol	362.77
NMP	4931.31
cyclohexane	817.66
DMSO	7672.79
n-butyl acetate	3013.74
n-octanol	537.05
chloroform	6488.62
n-propyl acetate	2325.15
acetic acid	2742.41
dichloromethane	8391.93
cyclohexanone	6191.55
propylene glycol	641.98
isopropyl acetate	2787.18
DMAc	3984.75
2-ethoxyethanol	1920.19
isopentanol	2320.26
n-heptane	172.76
ethyl formate	1888.45
1,2-dichloroethane	7212.1
n-hexanol	1709.02
2-methoxyethanol	3947.02
isobutyl acetate	1233.23
tetrachloromethane	811.45
n-pentyl acetate	1326.12
transcutol	6707.14
n-heptanol	530.91
ethylbenzene	783.02
MIBK	2073.52
2-propoxyethanol	2398.73
tert-butanol	3252.35
MTBE	3874.8
2-butoxyethanol	1008.66
propionic acid	1970.77
o-xylene	830.53
formic acid	553.28
diethyl ether	4893.15
m-xylene	1083.8
p-xylene	899.96
chlorobenzene	2279.35
dimethyl carbonate	981.82
n-octane	64.89
formamide	1171.58
cyclopentanone	5781.26
2-pentanone	4892.16
anisole	1537.8
cyclopentyl methyl ether	3974.68
gamma-butyrolactone	5297.71
1-methoxy-2-propanol	2964.97
pyridine	4676.73
3-pentanone	3106.76
furfural	3085.98
n-dodecane	46.42
diethylene glycol	1371.08
diisopropyl ether	1090.13
tert-amyl alcohol	2682.29
acetylacetone	3927.83
n-hexadecane	55.88
acetophenone	1333.22
methyl propionate	3391.24
isopentyl acetate	2365.61
trichloroethylene	10139.03
n-nonanol	460.04
cyclohexanol	2702.06
benzyl alcohol	1085.16
2-ethylhexanol	1009.17
isooctanol	465.27
dipropyl ether	1401.44
1,2-dichlorobenzene	1807.04
ethyl lactate	650.77
propylene carbonate	2355.36
n-methylformamide	2643.93
2-pentanol	2086.49
n-pentane	413.57
1-propoxy-2-propanol	1785.5
1-methoxy-2-propyl acetate	2123.53
2-(2-methoxypropoxy) propanol	1010.42
mesitylene	576.55
ε-caprolactone	4014.06
p-cymene	384.33
epichlorohydrin	6780.78
1,1,1-trichloroethane	4658.97
2-aminoethanol	1106.65
morpholine-4-carbaldehyde	3249.05
sulfolane	5738.4
2,2,4-trimethylpentane	171.99
2-methyltetrahydrofuran	6037.61
n-hexyl acetate	1733.33
isooctane	145.81
2-(2-butoxyethoxy)ethanol	1546.83
sec-butyl acetate	1531.92
tert-butyl acetate	2445.22
decalin	292.7
glycerin	679.7
diglyme	2831.86
acrylic acid	1428.34
isopropyl myristate	536.34
n-butyric acid	3639.86
acetyl acetate	2157.26
di(2-ethylhexyl) phthalate	444.67
ethyl propionate	1992.53
nitromethane	5226.52
1,2-diethoxyethane	2751.3
benzonitrile	1623.66
trioctyl phosphate	319.46
1-bromopropane	4532.13
gamma-valerolactone	5143.35
n-decanol	323.02
triethyl phosphate	530.33
4-methyl-2-pentanol	911.37
propionitrile	2743.04
vinylene carbonate	1931.16
1,1,2-trichlorotrifluoroethane	3102.54
DMS	1302.8
cumene	444.16
2-octanol	410.71
2-hexanone	2432.9
octyl acetate	662.56
limonene	764.69
1,2-dimethoxyethane	3411.68
ethyl orthosilicate	532.89
tributyl phosphate	485.52
diacetone alcohol	2124.25
N,N-dimethylaniline	906.49
acrylonitrile	3038.38
aniline	1939.49
1,3-propanediol	1674.65
bromobenzene	2736.85
dibromomethane	5726.88
1,1,2,2-tetrachloroethane	7316.54
2-methyl-cyclohexyl acetate	1033.53
tetrabutyl urea	645.53
diisobutyl methanol	519.04
2-phenylethanol	1087.75
styrene	1223.64
dioctyl adipate	771.35
dimethyl sulfate	1418.78
ethyl butyrate	1658.66
methyl lactate	987.67
butyl lactate	849.33
diethyl carbonate	901.09
propanediol butyl ether	949.58
triethyl orthoformate	849.65
p-tert-butyltoluene	365.23
methyl 4-tert-butylbenzoate	842.96
morpholine	6377.74
tert-butylamine	2112.65
n-dodecanol	240.1
dimethoxymethane	3546.99
ethylene carbonate	1698.85
cyrene	830.66
2-ethoxyethyl acetate	1741.45
2-ethylhexyl acetate	1715.38
1,2,4-trichlorobenzene	1976.87
4-methylpyridine	4583.44
dibutyl ether	1264.79
2,6-dimethyl-4-heptanol	519.04
DEF	4860.38
dimethyl isosorbide	1748.16
tetrachloroethylene	4077.5
eugenol	826.24
triacetin	1239.75
span 80	952.89
1,4-butanediol	558.98
1,1-dichloroethane	6138.49
2-methyl-1-pentanol	1594.07
methyl formate	1621.1
2-methyl-1-butanol	2289.24
n-decane	84.41
butyronitrile	3421.3
3,7-dimethyl-1-octanol	670.98
1-chlorooctane	516.63
1-chlorotetradecane	168.97
n-nonane	86.73
undecane	59.34
tert-butylcyclohexane	241.11
cyclooctane	178.4
cyclopentanol	2439.72
tetrahydropyran	6630.89
tert-amyl methyl ether	2363.38
2,5,8-trioxanonane	1711.19
1-hexene	1938.9
2-isopropoxyethanol	1370.24
2,2,2-trifluoroethanol	544.56
methyl butyrate	2902.48

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