Molecular formula
C16H30O2

SMILES
CCCCCCOC(=O)CCCC1CCCCC1

Fragrance
Fruity	75.39%
Green	58.1%
Oily	50.71%
Sweet	46.32%
Fatty	44.03%
Winey	43.73%
Waxy	42.59%
Cognac	38.22%
Pineapple	36.92%
Peach	35.39%

 

Flavor
Fruity	70.71%
Waxy	62.52%
Oily	44.26%
Green	43.1%
Sweet	41.33%
Fatty	36.64%
Creamy	34.64%
Fruit	34.3%
Tropical	34.01%
Wine	33.25%

 

Odor impact est.
Medium

XLogP3-AA
6.0

pKa est.
7.37 (neutral)

Molecular weight
254.41 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
325°C

Flash point

• 138.81 ˚C est.

Hexyl 4-cyclohexylbutanoate is commonly used in fragrance applications as an odorant and as a fixative to help preserve scent in perfumery. It may be used in cosmetics and personal care products as a fragrance component. In household products, air fresheners and cleaners, it serves as a fragrance additive to impart and sustain aroma. In coatings and inks, it can function as a fragrance modifier or processing aid, helping control odor release during formulation. In polymers and plastics, it may act as a plasticizer or carrier for fragrance, enabling scent release in finished materials. It is often evaluated as an intermediate in fragrance synthesis and formulation development within industrial manufacturing. Subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	5843.46
methanol	5218.6
isopropanol	5180.98
water	0.07
ethyl acetate	14342.26
n-propanol	4784.21
acetone	19723.74
n-butanol	4610.5
acetonitrile	7470.54
DMF	12493.62
toluene	4119.26
isobutanol	3984.57
1,4-dioxane	9223.32
methyl acetate	7451.74
THF	16541.73
2-butanone	12089.16
n-pentanol	2411.62
sec-butanol	4160.84
n-hexane	895.75
ethylene glycol	270.31
NMP	9401.95
cyclohexane	2050.25
DMSO	16090.01
n-butyl acetate	7505.85
n-octanol	996.43
chloroform	16322.62
n-propyl acetate	7647.59
acetic acid	3891.31
dichloromethane	19285.3
cyclohexanone	18377.04
propylene glycol	675.5
isopropyl acetate	9591.04
DMAc	7754.21
2-ethoxyethanol	3442.43
isopentanol	4612.14
n-heptane	331.52
ethyl formate	4618.15
1,2-dichloroethane	17459.28
n-hexanol	2090.58
2-methoxyethanol	6753.98
isobutyl acetate	3912.48
tetrachloromethane	2671.94
n-pentyl acetate	4651.86
transcutol	18340.35
n-heptanol	958.37
ethylbenzene	1731.15
MIBK	6650.51
2-propoxyethanol	4074.68
tert-butanol	5972.08
MTBE	10115.52
2-butoxyethanol	2384.48
propionic acid	3797.65
o-xylene	2145.04
formic acid	694.11
diethyl ether	11299.11
m-xylene	2429.17
p-xylene	2246.75
chlorobenzene	6270.41
dimethyl carbonate	2283.51
n-octane	119.64
formamide	2059.23
cyclopentanone	16527.84
2-pentanone	12846.37
anisole	3562.55
cyclopentyl methyl ether	10278.92
gamma-butyrolactone	14478.58
1-methoxy-2-propanol	6011.02
pyridine	10588.05
3-pentanone	7497.45
furfural	8358.35
n-dodecane	71.03
diethylene glycol	1842.02
diisopropyl ether	3150.48
tert-amyl alcohol	4758.12
acetylacetone	12124.96
n-hexadecane	91.12
acetophenone	3185.56
methyl propionate	7723.55
isopentyl acetate	6470.84
trichloroethylene	25002.03
n-nonanol	871.0
cyclohexanol	5780.4
benzyl alcohol	1972.52
2-ethylhexanol	1630.21
isooctanol	969.3
dipropyl ether	3465.3
1,2-dichlorobenzene	5422.4
ethyl lactate	1506.84
propylene carbonate	6742.15
n-methylformamide	5394.18
2-pentanol	3558.21
n-pentane	677.77
1-propoxy-2-propanol	3634.56
1-methoxy-2-propyl acetate	6010.99
2-(2-methoxypropoxy) propanol	2082.04
mesitylene	1545.11
ε-caprolactone	12180.51
p-cymene	849.81
epichlorohydrin	16260.59
1,1,1-trichloroethane	13723.17
2-aminoethanol	1159.01
morpholine-4-carbaldehyde	7819.97
sulfolane	16066.46
2,2,4-trimethylpentane	328.62
2-methyltetrahydrofuran	14352.43
n-hexyl acetate	4970.64
isooctane	265.97
2-(2-butoxyethoxy)ethanol	3399.15
sec-butyl acetate	5251.39
tert-butyl acetate	8849.32
decalin	613.68
glycerin	843.84
diglyme	7739.03
acrylic acid	2283.47
isopropyl myristate	1366.04
n-butyric acid	8090.25
acetyl acetate	6204.24
di(2-ethylhexyl) phthalate	961.85
ethyl propionate	6315.11
nitromethane	11590.56
1,2-diethoxyethane	8192.88
benzonitrile	4018.06
trioctyl phosphate	696.69
1-bromopropane	9413.78
gamma-valerolactone	17170.92
n-decanol	565.16
triethyl phosphate	1370.53
4-methyl-2-pentanol	1897.67
propionitrile	5413.97
vinylene carbonate	5091.3
1,1,2-trichlorotrifluoroethane	6708.55
DMS	3356.54
cumene	965.8
2-octanol	849.06
2-hexanone	6643.74
octyl acetate	1597.53
limonene	1736.6
1,2-dimethoxyethane	8144.19
ethyl orthosilicate	1372.98
tributyl phosphate	1155.47
diacetone alcohol	6021.87
N,N-dimethylaniline	1840.87
acrylonitrile	5644.26
aniline	4463.04
1,3-propanediol	2591.33
bromobenzene	7563.3
dibromomethane	12862.33
1,1,2,2-tetrachloroethane	19008.45
2-methyl-cyclohexyl acetate	2585.24
tetrabutyl urea	1410.19
diisobutyl methanol	1048.09
2-phenylethanol	1940.49
styrene	2724.3
dioctyl adipate	1984.14
dimethyl sulfate	3537.69
ethyl butyrate	4934.0
methyl lactate	1976.99
butyl lactate	2451.15
diethyl carbonate	2552.3
propanediol butyl ether	1998.24
triethyl orthoformate	2692.94
p-tert-butyltoluene	827.07
methyl 4-tert-butylbenzoate	2275.12
morpholine	13427.82
tert-butylamine	3805.84
n-dodecanol	406.42
dimethoxymethane	7525.73
ethylene carbonate	5434.22
cyrene	1564.62
2-ethoxyethyl acetate	5893.09
2-ethylhexyl acetate	4721.72
1,2,4-trichlorobenzene	5747.9
4-methylpyridine	10616.61
dibutyl ether	3715.55
2,6-dimethyl-4-heptanol	1048.09
DEF	11529.32
dimethyl isosorbide	3946.12
tetrachloroethylene	10820.7
eugenol	1779.51
triacetin	3649.35
span 80	1932.57
1,4-butanediol	716.8
1,1-dichloroethane	16740.53
2-methyl-1-pentanol	2321.06
methyl formate	3176.31
2-methyl-1-butanol	3851.39
n-decane	155.26
butyronitrile	6864.61
3,7-dimethyl-1-octanol	1332.41
1-chlorooctane	1141.76
1-chlorotetradecane	329.0
n-nonane	162.1
undecane	97.17
tert-butylcyclohexane	470.79
cyclooctane	471.76
cyclopentanol	5329.03
tetrahydropyran	16004.9
tert-amyl methyl ether	5605.04
2,5,8-trioxanonane	3687.99
1-hexene	3225.26
2-isopropoxyethanol	2739.91
2,2,2-trifluoroethanol	1232.05
methyl butyrate	8829.52

Scent© AI