Molecular formula
C9H14O

SMILES
CC1CCC(=CC1)C(=O)C

Fragrance
Floral	62.67%
Herbal	58.05%
Mint	57.3%
Woody	45.63%
Fruity	41.87%
Fresh	36.41%
Camphoreous	35.19%
Sweet	33.47%
Ketonic	33.3%
Hay	31.27%

 

Flavor
Fruity	47.1%
Sweet	44.62%
Minty	38.69%
Mint	30.27%
Spicy	28.27%
Phenolic	26.63%
Herbal	26.29%
Caramel	25.86%
Spice	25.5%
Woody	25.04%

 

Odor impact est.
High

XLogP3-AA
2.1

pKa est.
8.8 (weak base)

Molecular weight
138.21 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
202°C

Flash point

• 78.51 ˚C est.

• SCHEMBL1780881

1-(4-Methylcyclohexen-1-yl)ethanone is used primarily as an aroma chemical and fragrance intermediate, commonly evaluated for perfumery applications to contribute green, floral, or minty characteristics depending on formulation, and it may serve as a building block for synthesizing related cyclohexenyl ketone derivatives. It can be employed in cosmetics and personal care products as a fragrance component, and in household formulations such as cleaners and air fresheners to help define scent profiles. In industrial manufacturing, it is often used as an intermediate or starting material for further chemical transformations to generate specialty fragrance compounds. It may also be used as an odorant or fragrance additive in coatings and inks, subject to formulation limits and local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	719.91
methanol	418.89
isopropanol	690.69
water	0.81
ethyl acetate	740.87
n-propanol	563.35
acetone	778.9
n-butanol	564.42
acetonitrile	1060.14
DMF	657.44
toluene	410.44
isobutanol	420.03
1,4-dioxane	1618.97
methyl acetate	621.63
THF	1353.53
2-butanone	670.37
n-pentanol	294.22
sec-butanol	463.72
n-hexane	75.33
ethylene glycol	71.48
NMP	537.43
cyclohexane	185.58
DMSO	535.38
n-butyl acetate	631.33
n-octanol	225.82
chloroform	2398.09
n-propyl acetate	325.9
acetic acid	447.83
dichloromethane	1992.54
cyclohexanone	959.02
propylene glycol	129.21
isopropyl acetate	360.3
DMAc	377.4
2-ethoxyethanol	271.96
isopentanol	445.0
n-heptane	74.91
ethyl formate	419.48
1,2-dichloroethane	914.18
n-hexanol	535.36
2-methoxyethanol	539.49
isobutyl acetate	190.51
tetrachloromethane	323.37
n-pentyl acetate	280.65
transcutol	1717.95
n-heptanol	204.51
ethylbenzene	181.13
MIBK	288.23
2-propoxyethanol	578.33
tert-butanol	668.23
MTBE	505.24
2-butoxyethanol	309.07
propionic acid	392.37
o-xylene	211.52
formic acid	103.48
diethyl ether	683.87
m-xylene	239.18
p-xylene	237.92
chlorobenzene	556.37
dimethyl carbonate	132.13
n-octane	27.79
formamide	195.72
cyclopentanone	861.88
2-pentanone	555.5
anisole	350.42
cyclopentyl methyl ether	510.71
gamma-butyrolactone	903.45
1-methoxy-2-propanol	459.2
pyridine	971.13
3-pentanone	352.72
furfural	724.33
n-dodecane	24.87
diethylene glycol	315.26
diisopropyl ether	170.55
tert-amyl alcohol	416.08
acetylacetone	465.01
n-hexadecane	29.24
acetophenone	271.45
methyl propionate	382.2
isopentyl acetate	463.92
trichloroethylene	1665.52
n-nonanol	182.71
cyclohexanol	529.96
benzyl alcohol	263.6
2-ethylhexanol	288.08
isooctanol	159.57
dipropyl ether	337.88
1,2-dichlorobenzene	423.73
ethyl lactate	122.5
propylene carbonate	519.63
n-methylformamide	332.74
2-pentanol	353.53
n-pentane	86.28
1-propoxy-2-propanol	436.47
1-methoxy-2-propyl acetate	425.41
2-(2-methoxypropoxy) propanol	342.65
mesitylene	144.84
ε-caprolactone	730.03
p-cymene	142.26
epichlorohydrin	1068.63
1,1,1-trichloroethane	1006.29
2-aminoethanol	190.8
morpholine-4-carbaldehyde	700.45
sulfolane	648.81
2,2,4-trimethylpentane	39.1
2-methyltetrahydrofuran	1088.32
n-hexyl acetate	427.82
isooctane	37.75
2-(2-butoxyethoxy)ethanol	499.35
sec-butyl acetate	213.46
tert-butyl acetate	330.43
decalin	64.51
glycerin	149.68
diglyme	814.46
acrylic acid	281.98
isopropyl myristate	159.75
n-butyric acid	671.63
acetyl acetate	339.08
di(2-ethylhexyl) phthalate	156.02
ethyl propionate	269.07
nitromethane	726.88
1,2-diethoxyethane	622.2
benzonitrile	530.27
trioctyl phosphate	109.24
1-bromopropane	660.69
gamma-valerolactone	1034.25
n-decanol	135.45
triethyl phosphate	130.53
4-methyl-2-pentanol	197.19
propionitrile	685.63
vinylene carbonate	495.95
1,1,2-trichlorotrifluoroethane	466.56
DMS	274.57
cumene	125.79
2-octanol	146.2
2-hexanone	338.6
octyl acetate	202.84
limonene	226.74
1,2-dimethoxyethane	612.27
ethyl orthosilicate	130.67
tributyl phosphate	141.66
diacetone alcohol	323.6
N,N-dimethylaniline	196.59
acrylonitrile	643.98
aniline	445.18
1,3-propanediol	332.19
bromobenzene	605.32
dibromomethane	1404.07
1,1,2,2-tetrachloroethane	1121.24
2-methyl-cyclohexyl acetate	251.03
tetrabutyl urea	161.98
diisobutyl methanol	158.9
2-phenylethanol	326.52
styrene	240.97
dioctyl adipate	218.72
dimethyl sulfate	173.2
ethyl butyrate	357.96
methyl lactate	140.88
butyl lactate	194.82
diethyl carbonate	228.59
propanediol butyl ether	296.64
triethyl orthoformate	220.84
p-tert-butyltoluene	137.71
methyl 4-tert-butylbenzoate	262.18
morpholine	1548.11
tert-butylamine	471.97
n-dodecanol	106.76
dimethoxymethane	413.66
ethylene carbonate	411.65
cyrene	228.07
2-ethoxyethyl acetate	388.39
2-ethylhexyl acetate	356.04
1,2,4-trichlorobenzene	489.71
4-methylpyridine	873.41
dibutyl ether	299.14
2,6-dimethyl-4-heptanol	158.9
DEF	442.02
dimethyl isosorbide	524.24
tetrachloroethylene	667.17
eugenol	242.43
triacetin	340.55
span 80	326.54
1,4-butanediol	100.34
1,1-dichloroethane	1110.0
2-methyl-1-pentanol	263.9
methyl formate	238.3
2-methyl-1-butanol	390.05
n-decane	41.11
butyronitrile	796.05
3,7-dimethyl-1-octanol	221.22
1-chlorooctane	161.82
1-chlorotetradecane	66.83
n-nonane	40.31
undecane	31.05
tert-butylcyclohexane	57.43
cyclooctane	50.75
cyclopentanol	504.31
tetrahydropyran	1352.95
tert-amyl methyl ether	287.86
2,5,8-trioxanonane	539.69
1-hexene	258.18
2-isopropoxyethanol	214.1
2,2,2-trifluoroethanol	130.89
methyl butyrate	356.68

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