Molecular formula
C11H22O2

SMILES
CCCC(=O)OCCCCC(C)C

Fragrance
Fruity	95.55%
Apple	65.14%
Herbal	63.11%
Sweet	57.13%
Green	54.87%
Winey	47.37%
Oily	46.51%
Banana	45.67%
Pineapple	41.42%
Pear	36.44%

 

Flavor
Fruity	85.75%
Green	73.55%
Apple	61.43%
Sweet	59.76%
Pineapple	57.46%
Tropical	52.49%
Banana	48.42%
Pear	46.98%
Fruit	46.92%
Waxy	40.88%

 

Odor impact est.
Medium

XLogP3-AA
3.5

pKa est.
8.25 (weak base)

Molecular weight
186.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
215°C

Flash point

• 84.12 ˚C est.

• SCHEMBL332926

5-Methylhexyl butanoate is an ester of butanoic acid with 5-methylhexanol and is commonly used as a fragrance ingredient, serving as an odorant and potential fixative component in perfumery and cosmetic products. It may act as a solvent or co-solvent in fragrance formulations and household products. In industrial manufacturing, it can function as an intermediate or processing aid in the synthesis of other aroma esters and specialty compounds. It may also be used as a plasticizer or functional additive in polymer or coating systems, supporting fragrance release or compatibility in formulations. In inks and coatings, it can serve as a fragrance release component, subject to formulation limits and regulatory considerations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	11559.43
methanol	10385.91
isopropanol	10879.35
water	0.38
ethyl acetate	8584.99
n-propanol	8280.91
acetone	15010.19
n-butanol	7593.09
acetonitrile	7817.17
DMF	6847.59
toluene	1869.94
isobutanol	6994.69
1,4-dioxane	7051.05
methyl acetate	5375.78
THF	10956.49
2-butanone	8181.07
n-pentanol	4685.54
sec-butanol	7758.12
n-hexane	2121.2
ethylene glycol	662.45
NMP	4669.14
cyclohexane	2062.6
DMSO	7062.17
n-butyl acetate	6873.57
n-octanol	2071.77
chloroform	11110.33
n-propyl acetate	4741.78
acetic acid	6176.14
dichloromethane	10072.56
cyclohexanone	10266.75
propylene glycol	1571.21
isopropyl acetate	5460.14
DMAc	3737.83
2-ethoxyethanol	3633.94
isopentanol	6892.61
n-heptane	669.46
ethyl formate	3816.58
1,2-dichloroethane	6851.68
n-hexanol	4899.93
2-methoxyethanol	6092.58
isobutyl acetate	2685.32
tetrachloromethane	1710.83
n-pentyl acetate	3234.0
transcutol	11417.33
n-heptanol	1732.43
ethylbenzene	1164.54
MIBK	4197.14
2-propoxyethanol	5042.33
tert-butanol	10639.49
MTBE	9491.35
2-butoxyethanol	2512.81
propionic acid	4461.77
o-xylene	1177.67
formic acid	1022.68
diethyl ether	8588.85
m-xylene	1365.16
p-xylene	1635.44
chlorobenzene	3046.02
dimethyl carbonate	887.92
n-octane	284.6
formamide	1387.8
cyclopentanone	8431.18
2-pentanone	8022.25
anisole	1970.32
cyclopentyl methyl ether	5807.16
gamma-butyrolactone	7359.5
1-methoxy-2-propanol	5181.74
pyridine	5524.89
3-pentanone	4041.46
furfural	4437.71
n-dodecane	178.71
diethylene glycol	2246.55
diisopropyl ether	2561.02
tert-amyl alcohol	7785.62
acetylacetone	5902.25
n-hexadecane	211.01
acetophenone	1766.04
methyl propionate	4053.61
isopentyl acetate	5422.83
trichloroethylene	10767.68
n-nonanol	1632.79
cyclohexanol	6162.3
benzyl alcohol	1675.16
2-ethylhexanol	2690.45
isooctanol	1464.6
dipropyl ether	3669.52
1,2-dichlorobenzene	2439.42
ethyl lactate	1102.63
propylene carbonate	3847.95
n-methylformamide	3338.68
2-pentanol	5989.55
n-pentane	1214.63
1-propoxy-2-propanol	4351.77
1-methoxy-2-propyl acetate	3821.91
2-(2-methoxypropoxy) propanol	1899.24
mesitylene	948.53
ε-caprolactone	7051.02
p-cymene	779.55
epichlorohydrin	7760.66
1,1,1-trichloroethane	7300.21
2-aminoethanol	2075.64
morpholine-4-carbaldehyde	4381.76
sulfolane	6805.87
2,2,4-trimethylpentane	466.53
2-methyltetrahydrofuran	9647.1
n-hexyl acetate	4513.01
isooctane	435.13
2-(2-butoxyethoxy)ethanol	3039.17
sec-butyl acetate	3192.46
tert-butyl acetate	4960.28
decalin	677.51
glycerin	1357.67
diglyme	4916.2
acrylic acid	2654.09
isopropyl myristate	1288.23
n-butyric acid	8834.93
acetyl acetate	3450.63
di(2-ethylhexyl) phthalate	910.39
ethyl propionate	3243.93
nitromethane	7778.17
1,2-diethoxyethane	5087.54
benzonitrile	2941.93
trioctyl phosphate	750.13
1-bromopropane	5949.28
gamma-valerolactone	8537.19
n-decanol	1085.4
triethyl phosphate	846.56
4-methyl-2-pentanol	2762.94
propionitrile	5387.54
vinylene carbonate	3046.47
1,1,2-trichlorotrifluoroethane	4392.29
DMS	1826.62
cumene	802.27
2-octanol	1504.65
2-hexanone	5115.48
octyl acetate	1595.42
limonene	1638.23
1,2-dimethoxyethane	6856.21
ethyl orthosilicate	915.66
tributyl phosphate	1049.26
diacetone alcohol	4034.6
N,N-dimethylaniline	1194.36
acrylonitrile	4630.96
aniline	2410.68
1,3-propanediol	3573.12
bromobenzene	3399.35
dibromomethane	7663.61
1,1,2,2-tetrachloroethane	8939.56
2-methyl-cyclohexyl acetate	2040.54
tetrabutyl urea	1230.05
diisobutyl methanol	1446.68
2-phenylethanol	1887.75
styrene	1539.15
dioctyl adipate	1609.78
dimethyl sulfate	1291.77
ethyl butyrate	3320.61
methyl lactate	1301.3
butyl lactate	1973.91
diethyl carbonate	1538.41
propanediol butyl ether	2467.44
triethyl orthoformate	1748.3
p-tert-butyltoluene	765.33
methyl 4-tert-butylbenzoate	1524.42
morpholine	9874.27
tert-butylamine	6549.51
n-dodecanol	774.83
dimethoxymethane	3756.62
ethylene carbonate	3054.22
cyrene	1315.28
2-ethoxyethyl acetate	3031.27
2-ethylhexyl acetate	3771.06
1,2,4-trichlorobenzene	2671.01
4-methylpyridine	5687.84
dibutyl ether	3637.18
2,6-dimethyl-4-heptanol	1446.68
DEF	5946.91
dimethyl isosorbide	2774.76
tetrachloroethylene	5408.89
eugenol	1437.92
triacetin	2292.16
span 80	2111.63
1,4-butanediol	1323.01
1,1-dichloroethane	9344.52
2-methyl-1-pentanol	3975.9
methyl formate	2182.82
2-methyl-1-butanol	5794.51
n-decane	362.94
butyronitrile	7583.0
3,7-dimethyl-1-octanol	2081.85
1-chlorooctane	1545.79
1-chlorotetradecane	486.49
n-nonane	411.67
undecane	244.62
tert-butylcyclohexane	672.06
cyclooctane	484.45
cyclopentanol	5757.57
tetrahydropyran	11625.62
tert-amyl methyl ether	4724.64
2,5,8-trioxanonane	2862.01
1-hexene	5433.78
2-isopropoxyethanol	2806.7
2,2,2-trifluoroethanol	1198.02
methyl butyrate	5221.6

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