Molecular formula
C10H18O

SMILES
CC[C@H]1CC(CCC1=O)(C)C

Fragrance
Herbal	76.66%
Mint	67.85%
Fruity	64.4%
Camphoreous	61.39%
Woody	51.67%
Fresh	41.55%
Earthy	41.01%
Cooling	40.94%
Ketonic	40.41%
Spicy	40.15%

 

Flavor
Minty	47.57%
Herbal	43.19%
Woody	39.81%
Camphor	36.8%
Fruity	30.77%
Tobacco	27.62%
Musty	27.52%
Spicy	27.52%
Sweet	27.28%
Earthy	26.22%

 

Odor impact est.
Medium

XLogP3-AA
2.5

pKa est.
9.04 (weak base)

Molecular weight
154.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
210°C

Flash point

• 75.71 ˚C est.

• SCHEMBL8056826
• JKOKKFRQRVUNGU-QMMMGPOBSA-N
• (+)-(2S)-2-ethyl-4,4-dimethyl-1-cyclohexanone

(+)-(2S)-2-ethyl-4,4-dimethyl-1-cyclohexanone is typically used as a chiral building block and a general organic-synthesis precursor, enabling enantioselective routes in the preparation of pharmaceutical and agrochemical leads. It is also encountered as a fragrance-related intermediate in perfumery, where the cyclohexanone scaffold can be transformed into aroma compounds or used as a precursor for stereoselective reactions. In cosmetics and personal care, it may serve as a precursor for actives or as a fragrance component. In the polymers/plastics sector, it can function as a starting material for specialty polymers or as a building block in custom formulations. In coatings and inks, it may be employed as a functional intermediate for resin systems or coating additives, subject to regulatory and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	666.92
methanol	617.33
isopropanol	809.29
water	1.62
ethyl acetate	823.77
n-propanol	675.09
acetone	797.04
n-butanol	649.43
acetonitrile	726.67
DMF	790.62
toluene	487.29
isobutanol	561.33
1,4-dioxane	1125.55
methyl acetate	799.76
THF	1439.88
2-butanone	888.55
n-pentanol	377.65
sec-butanol	657.48
n-hexane	155.09
ethylene glycol	138.57
NMP	598.43
cyclohexane	181.12
DMSO	460.83
n-butyl acetate	811.43
n-octanol	439.45
chloroform	1985.0
n-propyl acetate	418.85
acetic acid	366.6
dichloromethane	1333.51
cyclohexanone	1030.17
propylene glycol	258.96
isopropyl acetate	600.43
DMAc	636.82
2-ethoxyethanol	450.07
isopentanol	602.35
n-heptane	112.73
ethyl formate	428.05
1,2-dichloroethane	818.8
n-hexanol	838.36
2-methoxyethanol	675.05
isobutyl acetate	373.41
tetrachloromethane	387.27
n-pentyl acetate	446.83
transcutol	1507.81
n-heptanol	405.24
ethylbenzene	324.66
MIBK	537.68
2-propoxyethanol	977.43
tert-butanol	860.19
MTBE	896.57
2-butoxyethanol	562.43
propionic acid	489.2
o-xylene	361.27
formic acid	104.55
diethyl ether	720.41
m-xylene	407.0
p-xylene	424.75
chlorobenzene	649.36
dimethyl carbonate	220.79
n-octane	61.64
formamide	130.66
cyclopentanone	1090.94
2-pentanone	712.99
anisole	586.59
cyclopentyl methyl ether	726.04
gamma-butyrolactone	996.02
1-methoxy-2-propanol	734.45
pyridine	832.71
3-pentanone	549.01
furfural	867.3
n-dodecane	51.9
diethylene glycol	536.06
diisopropyl ether	307.15
tert-amyl alcohol	652.76
acetylacetone	687.31
n-hexadecane	60.33
acetophenone	441.28
methyl propionate	547.55
isopentyl acetate	739.81
trichloroethylene	1550.22
n-nonanol	359.73
cyclohexanol	589.45
benzyl alcohol	388.03
2-ethylhexanol	476.07
isooctanol	343.39
dipropyl ether	463.57
1,2-dichlorobenzene	567.75
ethyl lactate	242.96
propylene carbonate	654.55
n-methylformamide	388.28
2-pentanol	527.85
n-pentane	132.3
1-propoxy-2-propanol	784.31
1-methoxy-2-propyl acetate	707.91
2-(2-methoxypropoxy) propanol	473.04
mesitylene	287.83
ε-caprolactone	883.11
p-cymene	249.23
epichlorohydrin	1096.08
1,1,1-trichloroethane	1123.71
2-aminoethanol	308.34
morpholine-4-carbaldehyde	799.34
sulfolane	847.97
2,2,4-trimethylpentane	76.79
2-methyltetrahydrofuran	1080.93
n-hexyl acetate	719.41
isooctane	82.89
2-(2-butoxyethoxy)ethanol	640.76
sec-butyl acetate	393.51
tert-butyl acetate	657.95
decalin	113.1
glycerin	288.04
diglyme	1000.68
acrylic acid	376.62
isopropyl myristate	286.49
n-butyric acid	711.8
acetyl acetate	464.25
di(2-ethylhexyl) phthalate	227.81
ethyl propionate	416.36
nitromethane	619.37
1,2-diethoxyethane	643.4
benzonitrile	624.03
trioctyl phosphate	185.37
1-bromopropane	719.26
gamma-valerolactone	1236.91
n-decanol	263.2
triethyl phosphate	201.87
4-methyl-2-pentanol	375.35
propionitrile	768.36
vinylene carbonate	595.79
1,1,2-trichlorotrifluoroethane	682.99
DMS	465.53
cumene	254.23
2-octanol	311.62
2-hexanone	487.3
octyl acetate	346.04
limonene	332.72
1,2-dimethoxyethane	820.36
ethyl orthosilicate	204.41
tributyl phosphate	219.84
diacetone alcohol	617.73
N,N-dimethylaniline	356.02
acrylonitrile	778.76
aniline	506.98
1,3-propanediol	412.75
bromobenzene	711.71
dibromomethane	974.13
1,1,2,2-tetrachloroethane	1317.87
2-methyl-cyclohexyl acetate	370.79
tetrabutyl urea	250.55
diisobutyl methanol	278.56
2-phenylethanol	544.39
styrene	366.64
dioctyl adipate	316.15
dimethyl sulfate	302.0
ethyl butyrate	467.15
methyl lactate	292.34
butyl lactate	355.35
diethyl carbonate	296.37
propanediol butyl ether	530.26
triethyl orthoformate	317.7
p-tert-butyltoluene	254.16
methyl 4-tert-butylbenzoate	450.06
morpholine	1120.39
tert-butylamine	620.55
n-dodecanol	201.23
dimethoxymethane	524.25
ethylene carbonate	503.91
cyrene	328.75
2-ethoxyethyl acetate	495.44
2-ethylhexyl acetate	541.31
1,2,4-trichlorobenzene	630.73
4-methylpyridine	913.84
dibutyl ether	451.97
2,6-dimethyl-4-heptanol	278.56
DEF	579.7
dimethyl isosorbide	675.88
tetrachloroethylene	798.54
eugenol	425.57
triacetin	497.73
span 80	437.01
1,4-butanediol	185.78
1,1-dichloroethane	1167.32
2-methyl-1-pentanol	361.68
methyl formate	313.62
2-methyl-1-butanol	515.07
n-decane	89.62
butyronitrile	797.25
3,7-dimethyl-1-octanol	420.19
1-chlorooctane	324.9
1-chlorotetradecane	130.45
n-nonane	89.86
undecane	65.73
tert-butylcyclohexane	127.7
cyclooctane	78.55
cyclopentanol	598.1
tetrahydropyran	1097.16
tert-amyl methyl ether	549.61
2,5,8-trioxanonane	632.72
1-hexene	419.12
2-isopropoxyethanol	419.47
2,2,2-trifluoroethanol	169.74
methyl butyrate	506.0

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