Molecular formula
C10H18O2

SMILES
CCCCCC(=O)OCC=CC

Fragrance
Fruity	95.78%
Green	67.43%
Pineapple	66.04%
Apple	64.03%
Tropical	57.43%
Waxy	46.53%
Banana	45.59%
Winey	44.4%
Sweet	43.83%
Pear	43.11%

 

Flavor
Fruity	73.44%
Green	66.26%
Apple	49.25%
Pineapple	43.94%
Tropical	40.63%
Pear	37.32%
Sweet	33.66%
Fruit	33.49%
Fresh	31.92%
Waxy	31.65%

 

Odor impact est.
Medium

XLogP3-AA
2.9

pKa est.
8.02 (weak base)

Molecular weight
170.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
214°C

Flash point

• 85.52 ˚C est.

• Buten-2-yl hexanoate
• DTXSID401015898

Buten-2-yl hexanoate is used primarily as a fragrance ingredient and fixative in perfumery, contributing fruity and fresh aroma notes. It can also function as a solvent or co-solvent in cosmetic and personal care formulations, and as an intermediate in fragrance compound synthesis. In household products, it serves as a fragrance component in scented cleaners and air fresheners. In coatings and inks, it may act as a solvent or processing aid.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	5959.95
methanol	6775.24
isopropanol	4038.48
water	0.61
ethyl acetate	3900.09
n-propanol	3630.16
acetone	6228.19
n-butanol	3364.9
acetonitrile	3890.5
DMF	4838.15
toluene	1194.11
isobutanol	2732.89
1,4-dioxane	4238.62
methyl acetate	2537.02
THF	5426.53
2-butanone	3304.96
n-pentanol	2128.08
sec-butanol	3074.22
n-hexane	550.38
ethylene glycol	500.69
NMP	3064.67
cyclohexane	1011.12
DMSO	5141.69
n-butyl acetate	2690.59
n-octanol	777.46
chloroform	6277.51
n-propyl acetate	1860.23
acetic acid	4137.72
dichloromethane	6256.76
cyclohexanone	4551.66
propylene glycol	834.72
isopropyl acetate	2078.87
DMAc	2635.71
2-ethoxyethanol	1861.87
isopentanol	2648.31
n-heptane	228.38
ethyl formate	1893.11
1,2-dichloroethane	4329.8
n-hexanol	2038.7
2-methoxyethanol	3549.49
isobutyl acetate	1017.22
tetrachloromethane	835.68
n-pentyl acetate	1224.68
transcutol	5936.56
n-heptanol	677.28
ethylbenzene	644.39
MIBK	1435.97
2-propoxyethanol	2360.0
tert-butanol	4196.47
MTBE	3035.36
2-butoxyethanol	1096.49
propionic acid	2214.07
o-xylene	639.87
formic acid	804.88
diethyl ether	3706.09
m-xylene	715.33
p-xylene	834.18
chlorobenzene	1820.65
dimethyl carbonate	594.49
n-octane	87.05
formamide	1237.51
cyclopentanone	3895.58
2-pentanone	3053.42
anisole	1222.64
cyclopentyl methyl ether	2523.56
gamma-butyrolactone	3794.87
1-methoxy-2-propanol	2521.6
pyridine	4037.11
3-pentanone	1734.27
furfural	2618.34
n-dodecane	67.99
diethylene glycol	1394.3
diisopropyl ether	810.53
tert-amyl alcohol	3031.11
acetylacetone	2681.96
n-hexadecane	78.46
acetophenone	1076.99
methyl propionate	1934.19
isopentyl acetate	2026.86
trichloroethylene	6874.07
n-nonanol	646.86
cyclohexanol	2987.24
benzyl alcohol	1060.89
2-ethylhexanol	1137.4
isooctanol	562.83
dipropyl ether	1280.73
1,2-dichlorobenzene	1379.95
ethyl lactate	576.84
propylene carbonate	1959.85
n-methylformamide	2137.61
2-pentanol	2325.3
n-pentane	452.86
1-propoxy-2-propanol	1709.67
1-methoxy-2-propyl acetate	1551.71
2-(2-methoxypropoxy) propanol	1018.21
mesitylene	438.18
ε-caprolactone	3371.34
p-cymene	372.81
epichlorohydrin	4529.95
1,1,1-trichloroethane	3571.41
2-aminoethanol	1330.7
morpholine-4-carbaldehyde	2741.13
sulfolane	3677.9
2,2,4-trimethylpentane	166.09
2-methyltetrahydrofuran	4453.46
n-hexyl acetate	1659.4
isooctane	137.8
2-(2-butoxyethoxy)ethanol	1515.93
sec-butyl acetate	1195.38
tert-butyl acetate	1726.91
decalin	295.52
glycerin	863.28
diglyme	2580.16
acrylic acid	1633.78
isopropyl myristate	527.19
n-butyric acid	4118.41
acetyl acetate	1825.81
di(2-ethylhexyl) phthalate	453.39
ethyl propionate	1435.97
nitromethane	4788.16
1,2-diethoxyethane	2282.63
benzonitrile	1646.41
trioctyl phosphate	334.98
1-bromopropane	2956.92
gamma-valerolactone	4093.52
n-decanol	444.37
triethyl phosphate	466.24
4-methyl-2-pentanol	1001.75
propionitrile	2564.88
vinylene carbonate	1739.06
1,1,2-trichlorotrifluoroethane	2592.7
DMS	986.41
cumene	386.81
2-octanol	527.76
2-hexanone	1851.47
octyl acetate	677.65
limonene	704.82
1,2-dimethoxyethane	3292.85
ethyl orthosilicate	464.94
tributyl phosphate	474.41
diacetone alcohol	1609.98
N,N-dimethylaniline	735.85
acrylonitrile	2639.01
aniline	1624.31
1,3-propanediol	2019.69
bromobenzene	1991.91
dibromomethane	4487.76
1,1,2,2-tetrachloroethane	5311.8
2-methyl-cyclohexyl acetate	877.17
tetrabutyl urea	585.17
diisobutyl methanol	549.14
2-phenylethanol	1053.17
styrene	989.75
dioctyl adipate	762.21
dimethyl sulfate	812.28
ethyl butyrate	1424.21
methyl lactate	775.55
butyl lactate	802.64
diethyl carbonate	834.55
propanediol butyl ether	1100.4
triethyl orthoformate	773.1
p-tert-butyltoluene	349.2
methyl 4-tert-butylbenzoate	786.65
morpholine	6000.05
tert-butylamine	2640.67
n-dodecanol	326.12
dimethoxymethane	2193.75
ethylene carbonate	1563.7
cyrene	743.69
2-ethoxyethyl acetate	1436.6
2-ethylhexyl acetate	1432.16
1,2,4-trichlorobenzene	1521.86
4-methylpyridine	3709.37
dibutyl ether	1216.6
2,6-dimethyl-4-heptanol	549.14
DEF	2995.39
dimethyl isosorbide	1467.97
tetrachloroethylene	3334.0
eugenol	812.97
triacetin	1137.85
span 80	1072.4
1,4-butanediol	763.63
1,1-dichloroethane	4458.47
2-methyl-1-pentanol	1686.53
methyl formate	1346.62
2-methyl-1-butanol	2484.34
n-decane	123.09
butyronitrile	3464.14
3,7-dimethyl-1-octanol	743.91
1-chlorooctane	561.58
1-chlorotetradecane	192.72
n-nonane	126.97
undecane	88.28
tert-butylcyclohexane	240.12
cyclooctane	193.57
cyclopentanol	2532.25
tetrahydropyran	5803.28
tert-amyl methyl ether	1790.35
2,5,8-trioxanonane	1630.35
1-hexene	1840.49
2-isopropoxyethanol	1307.97
2,2,2-trifluoroethanol	731.76
methyl butyrate	2245.99

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