Molecular formula
C12H22O

SMILES
CC(C)CCCC1CCCCC1=O

Fragrance
Floral	58.8%
Herbal	58.39%
Woody	57.95%
Jasmin	57.32%
Fresh	52.06%
Mint	46.83%
Green	45.83%
Fruity	43.17%
Spicy	39.93%
Oily	36.99%

 

Flavor
Herbal	55.26%
Fresh	40.11%
Spice	33.92%
Woody	33.02%
Oily	30.91%
Herb	29.81%
Fatty	29.01%
Spicy	28.68%
Waxy	28.05%
Jasmin	27.84%

 

Odor impact est.
Medium

XLogP3-AA
3.7

pKa est.
8.91 (weak base)

Molecular weight
182.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
253°C

Flash point

• 99.59 ˚C est.

• isohexylcyclohexanone
• SCHEMBL7146270
• AKOS021479133

Isohexylcyclohexanone is predominantly used as an odorant and fragrance intermediate in perfumery and cosmetics, contributing specific aliphatic- and ketone-related notes in formulations. It is also considered a building block or intermediate for the synthesis of specialty fragrance chemicals and cyclic ketones in industrial manufacturing. Additionally, it may serve as a processing aid or solvent in formulations for coatings, inks, and cleaning products. In fragrance development, it can function as a scent-modulating component or fixative depending on the formulation. For research and development, isohexylcyclohexanone may be used as a building block for new fragrance compounds, subject to local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	6137.64
methanol	5271.96
isopropanol	6122.42
water	0.26
ethyl acetate	9281.58
n-propanol	5399.26
acetone	11059.27
n-butanol	5592.77
acetonitrile	7742.63
DMF	5353.87
toluene	3317.28
isobutanol	4379.36
1,4-dioxane	8088.7
methyl acetate	5296.92
THF	9016.81
2-butanone	7798.64
n-pentanol	3064.85
sec-butanol	4556.66
n-hexane	2019.21
ethylene glycol	334.81
NMP	2897.2
cyclohexane	2113.96
DMSO	4271.64
n-butyl acetate	7459.19
n-octanol	1309.41
chloroform	12628.8
n-propyl acetate	4851.1
acetic acid	3417.62
dichloromethane	10081.59
cyclohexanone	8696.57
propylene glycol	719.56
isopropyl acetate	6077.49
DMAc	2936.66
2-ethoxyethanol	2940.94
isopentanol	5336.11
n-heptane	592.17
ethyl formate	3524.36
1,2-dichloroethane	7824.36
n-hexanol	3969.2
2-methoxyethanol	4990.44
isobutyl acetate	2771.54
tetrachloromethane	2456.24
n-pentyl acetate	3056.39
transcutol	13494.37
n-heptanol	1326.33
ethylbenzene	1686.58
MIBK	3998.62
2-propoxyethanol	4781.0
tert-butanol	7020.82
MTBE	9211.31
2-butoxyethanol	2333.46
propionic acid	3074.33
o-xylene	1659.01
formic acid	624.32
diethyl ether	9900.54
m-xylene	1969.0
p-xylene	2018.1
chlorobenzene	4450.35
dimethyl carbonate	1056.14
n-octane	194.21
formamide	1105.67
cyclopentanone	6843.29
2-pentanone	8056.63
anisole	2796.52
cyclopentyl methyl ether	5393.75
gamma-butyrolactone	6333.15
1-methoxy-2-propanol	4122.18
pyridine	7026.53
3-pentanone	4682.15
furfural	4873.96
n-dodecane	100.47
diethylene glycol	1978.03
diisopropyl ether	3006.28
tert-amyl alcohol	4838.26
acetylacetone	5540.59
n-hexadecane	126.34
acetophenone	2066.43
methyl propionate	4374.33
isopentyl acetate	5992.92
trichloroethylene	12391.66
n-nonanol	1095.31
cyclohexanol	4605.83
benzyl alcohol	1874.31
2-ethylhexanol	2420.96
isooctanol	1190.81
dipropyl ether	4028.61
1,2-dichlorobenzene	3404.78
ethyl lactate	1023.02
propylene carbonate	3687.22
n-methylformamide	2943.49
2-pentanol	4216.76
n-pentane	1233.01
1-propoxy-2-propanol	4131.87
1-methoxy-2-propyl acetate	4473.52
2-(2-methoxypropoxy) propanol	1929.89
mesitylene	1331.71
ε-caprolactone	6673.85
p-cymene	873.94
epichlorohydrin	7506.68
1,1,1-trichloroethane	8520.88
2-aminoethanol	1188.01
morpholine-4-carbaldehyde	4320.17
sulfolane	4799.5
2,2,4-trimethylpentane	433.43
2-methyltetrahydrofuran	8232.49
n-hexyl acetate	3724.83
isooctane	422.9
2-(2-butoxyethoxy)ethanol	3064.34
sec-butyl acetate	3427.62
tert-butyl acetate	5132.45
decalin	708.2
glycerin	834.58
diglyme	5648.67
acrylic acid	1973.24
isopropyl myristate	1069.06
n-butyric acid	6979.12
acetyl acetate	3703.09
di(2-ethylhexyl) phthalate	800.98
ethyl propionate	3674.83
nitromethane	5543.9
1,2-diethoxyethane	6859.02
benzonitrile	3717.55
trioctyl phosphate	581.15
1-bromopropane	6095.26
gamma-valerolactone	8062.35
n-decanol	745.06
triethyl phosphate	850.98
4-methyl-2-pentanol	2185.21
propionitrile	6132.59
vinylene carbonate	3151.76
1,1,2-trichlorotrifluoroethane	3922.36
DMS	1981.78
cumene	988.9
2-octanol	1071.76
2-hexanone	4669.3
octyl acetate	1217.22
limonene	1522.27
1,2-dimethoxyethane	6476.32
ethyl orthosilicate	973.11
tributyl phosphate	914.93
diacetone alcohol	3541.98
N,N-dimethylaniline	1406.62
acrylonitrile	5286.74
aniline	3598.99
1,3-propanediol	2580.94
bromobenzene	4779.54
dibromomethane	7791.49
1,1,2,2-tetrachloroethane	9756.63
2-methyl-cyclohexyl acetate	1836.06
tetrabutyl urea	969.18
diisobutyl methanol	1326.68
2-phenylethanol	2094.6
styrene	2428.53
dioctyl adipate	1283.22
dimethyl sulfate	1260.34
ethyl butyrate	3696.96
methyl lactate	1168.32
butyl lactate	1778.09
diethyl carbonate	1863.14
propanediol butyl ether	1801.39
triethyl orthoformate	2097.38
p-tert-butyltoluene	851.11
methyl 4-tert-butylbenzoate	1496.04
morpholine	9523.07
tert-butylamine	5309.19
n-dodecanol	528.5
dimethoxymethane	3944.65
ethylene carbonate	3222.87
cyrene	1012.3
2-ethoxyethyl acetate	3588.33
2-ethylhexyl acetate	4177.93
1,2,4-trichlorobenzene	3497.67
4-methylpyridine	7605.4
dibutyl ether	3523.13
2,6-dimethyl-4-heptanol	1326.68
DEF	6143.16
dimethyl isosorbide	2534.59
tetrachloroethylene	6335.27
eugenol	1372.97
triacetin	2141.3
span 80	1650.67
1,4-butanediol	775.72
1,1-dichloroethane	9771.58
2-methyl-1-pentanol	2806.63
methyl formate	1893.04
2-methyl-1-butanol	4243.58
n-decane	234.25
butyronitrile	7230.1
3,7-dimethyl-1-octanol	1675.48
1-chlorooctane	1132.4
1-chlorotetradecane	342.75
n-nonane	249.11
undecane	146.32
tert-butylcyclohexane	660.41
cyclooctane	577.41
cyclopentanol	3594.12
tetrahydropyran	11248.94
tert-amyl methyl ether	4642.41
2,5,8-trioxanonane	2862.43
1-hexene	5228.53
2-isopropoxyethanol	2376.02
2,2,2-trifluoroethanol	847.27
methyl butyrate	5283.85

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