Molecular formula
C13H24O

SMILES
CC1CCC(=O)C(C1)CCCC(C)C

Fragrance
Herbal	61.18%
Floral	52.49%
Fresh	51.99%
Woody	50.16%
Jasmin	49.33%
Mint	46.43%
Green	46.27%
Spicy	45.56%
Fruity	42.37%
Lactonic	32.42%

 

Flavor
Herbal	55.79%
Spice	38.33%
Fresh	38.18%
Woody	36.09%
Herb	32.92%
Minty	31.21%
Spicy	30.71%
Green	29.84%
Oily	25.83%
Celery	24.43%

 

Odor impact est.
Medium

XLogP3-AA
4.0

pKa est.
9.03 (weak base)

Molecular weight
196.33 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
264°C

Flash point

• 104.35 ˚C est.

• AKOS021479445

4-Methyl-2-(4-methylpentyl)cyclohexan-1-one is primarily used as a fragrance ingredient and fixative in perfumery, helping to impart and retain scent in fine fragrances and personal care products; it is also considered a fragrance component for cosmetics and skincare. Additionally, the compound often appears in cleaning and household products as an odorant or scent contributor. In industrial manufacturing, it can serve as an intermediate for the synthesis of more complex fragrance compounds and may be incorporated into coatings/inks or plastic formulations to modify odor characteristics, subject to regulatory and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	4241.85
methanol	3161.55
isopropanol	4485.3
water	0.23
ethyl acetate	5980.45
n-propanol	3601.3
acetone	6330.19
n-butanol	3789.24
acetonitrile	4220.61
DMF	3140.22
toluene	2069.66
isobutanol	2864.52
1,4-dioxane	5554.45
methyl acetate	3467.75
THF	6005.0
2-butanone	4775.37
n-pentanol	2009.28
sec-butanol	3037.32
n-hexane	1183.75
ethylene glycol	226.96
NMP	1703.64
cyclohexane	1248.36
DMSO	2272.76
n-butyl acetate	5116.04
n-octanol	1000.18
chloroform	7737.78
n-propyl acetate	2928.6
acetic acid	1999.8
dichloromethane	5774.98
cyclohexanone	5123.44
propylene glycol	521.36
isopropyl acetate	4192.29
DMAc	1987.98
2-ethoxyethanol	1988.33
isopentanol	3561.69
n-heptane	401.64
ethyl formate	2211.25
1,2-dichloroethane	4472.11
n-hexanol	3022.04
2-methoxyethanol	3400.05
isobutyl acetate	1864.3
tetrachloromethane	1479.7
n-pentyl acetate	1949.65
transcutol	9220.64
n-heptanol	1053.22
ethylbenzene	1135.73
MIBK	2705.86
2-propoxyethanol	3578.19
tert-butanol	4911.76
MTBE	6545.45
2-butoxyethanol	1726.38
propionic acid	1801.17
o-xylene	1154.13
formic acid	350.51
diethyl ether	6435.78
m-xylene	1367.58
p-xylene	1327.44
chlorobenzene	2668.24
dimethyl carbonate	657.16
n-octane	146.31
formamide	575.98
cyclopentanone	4196.55
2-pentanone	4803.14
anisole	1871.43
cyclopentyl methyl ether	3383.56
gamma-butyrolactone	3775.51
1-methoxy-2-propanol	2968.99
pyridine	3932.24
3-pentanone	2812.02
furfural	2982.84
n-dodecane	77.39
diethylene glycol	1490.17
diisopropyl ether	2037.21
tert-amyl alcohol	3201.25
acetylacetone	3572.12
n-hexadecane	96.34
acetophenone	1353.59
methyl propionate	2728.67
isopentyl acetate	4173.9
trichloroethylene	7183.22
n-nonanol	833.64
cyclohexanol	2892.79
benzyl alcohol	1250.45
2-ethylhexanol	1810.19
isooctanol	922.87
dipropyl ether	2764.58
1,2-dichlorobenzene	2025.72
ethyl lactate	732.52
propylene carbonate	2312.7
n-methylformamide	1632.66
2-pentanol	2909.94
n-pentane	780.03
1-propoxy-2-propanol	3200.8
1-methoxy-2-propyl acetate	3166.31
2-(2-methoxypropoxy) propanol	1369.06
mesitylene	913.2
ε-caprolactone	4064.31
p-cymene	637.92
epichlorohydrin	4728.55
1,1,1-trichloroethane	5095.45
2-aminoethanol	833.94
morpholine-4-carbaldehyde	2821.89
sulfolane	2727.95
2,2,4-trimethylpentane	292.83
2-methyltetrahydrofuran	5199.07
n-hexyl acetate	2545.46
isooctane	304.46
2-(2-butoxyethoxy)ethanol	2305.78
sec-butyl acetate	2319.21
tert-butyl acetate	3621.01
decalin	453.8
glycerin	583.94
diglyme	4059.11
acrylic acid	1120.4
isopropyl myristate	767.22
n-butyric acid	4441.59
acetyl acetate	2337.62
di(2-ethylhexyl) phthalate	568.17
ethyl propionate	2267.0
nitromethane	3067.6
1,2-diethoxyethane	4741.69
benzonitrile	2211.65
trioctyl phosphate	424.74
1-bromopropane	3769.37
gamma-valerolactone	5140.19
n-decanol	566.21
triethyl phosphate	599.53
4-methyl-2-pentanol	1614.68
propionitrile	3569.74
vinylene carbonate	1941.9
1,1,2-trichlorotrifluoroethane	2429.44
DMS	1339.63
cumene	705.2
2-octanol	809.99
2-hexanone	2875.62
octyl acetate	868.29
limonene	1073.57
1,2-dimethoxyethane	4146.7
ethyl orthosilicate	677.42
tributyl phosphate	631.02
diacetone alcohol	2469.23
N,N-dimethylaniline	994.71
acrylonitrile	2954.77
aniline	2231.59
1,3-propanediol	1759.03
bromobenzene	2865.32
dibromomethane	4599.35
1,1,2,2-tetrachloroethane	5941.0
2-methyl-cyclohexyl acetate	1291.51
tetrabutyl urea	656.98
diisobutyl methanol	976.5
2-phenylethanol	1477.82
styrene	1469.97
dioctyl adipate	903.84
dimethyl sulfate	744.63
ethyl butyrate	2438.12
methyl lactate	816.59
butyl lactate	1228.38
diethyl carbonate	1243.85
propanediol butyl ether	1363.52
triethyl orthoformate	1435.54
p-tert-butyltoluene	630.45
methyl 4-tert-butylbenzoate	1090.05
morpholine	6266.68
tert-butylamine	3701.53
n-dodecanol	411.48
dimethoxymethane	2551.09
ethylene carbonate	1981.23
cyrene	743.37
2-ethoxyethyl acetate	2426.41
2-ethylhexyl acetate	2844.12
1,2,4-trichlorobenzene	2142.44
4-methylpyridine	4568.08
dibutyl ether	2390.6
2,6-dimethyl-4-heptanol	976.5
DEF	3660.99
dimethyl isosorbide	1854.07
tetrachloroethylene	3662.82
eugenol	1020.51
triacetin	1485.54
span 80	1188.03
1,4-butanediol	557.51
1,1-dichloroethane	5967.79
2-methyl-1-pentanol	1807.12
methyl formate	1093.06
2-methyl-1-butanol	2703.05
n-decane	176.34
butyronitrile	4403.45
3,7-dimethyl-1-octanol	1268.12
1-chlorooctane	810.89
1-chlorotetradecane	250.51
n-nonane	188.31
undecane	112.5
tert-butylcyclohexane	430.76
cyclooctane	365.21
cyclopentanol	2211.48
tetrahydropyran	7023.29
tert-amyl methyl ether	3154.48
2,5,8-trioxanonane	2084.88
1-hexene	3072.47
2-isopropoxyethanol	1669.76
2,2,2-trifluoroethanol	494.75
methyl butyrate	3118.5

Scent© AI