Molecular formula
C13H22O

SMILES
CC1CCCC(C1C=CC(=O)C)(C)C

Fragrance
Woody	90.8%
Floral	82.19%
Violet	71.12%
Sweet	62.89%
Orris	62.76%
Powdery	58.97%
Berry	55.65%
Fruity	52.33%
Dry	47.36%
Amber	41.86%

 

Flavor
Woody	80.53%
Floral	76.65%
Sweet	68.28%
Violet	52.34%
Fruity	52.16%
Orris	49.91%
Tropical	44.27%
Powdery	41.91%
Raspberry	38.66%
Dry	35.53%

 

Odor impact est.
Medium

XLogP3-AA
3.8

pKa est.
8.74 (weak base)

Molecular weight
194.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
252°C

Flash point

• 107.44 ˚C est.

• YJRODKCOICMRBO-UHFFFAOYSA-N
• DTXSID901260315
• NS00058594

4-(2,2,6-Trimethylcyclohexyl)but-3-en-2-one is used primarily as an aroma chemical in perfumery, contributing as a fragrance ingredient and, in some cases, a fixative; it is also evaluated for use in cosmetics and personal care products as a fragrance component, and in household products such as cleaners and air fresheners to impart specific scent notes. In industrial manufacturing, it may serve as an intermediate for the synthesis of aroma compounds and as a specialty odorant additive for coatings and inks.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	996.26
methanol	941.99
isopropanol	771.51
water	0.55
ethyl acetate	1041.05
n-propanol	774.93
acetone	1049.36
n-butanol	781.75
acetonitrile	803.62
DMF	949.39
toluene	695.89
isobutanol	533.91
1,4-dioxane	2076.07
methyl acetate	747.64
THF	2747.43
2-butanone	878.14
n-pentanol	342.87
sec-butanol	497.75
n-hexane	110.88
ethylene glycol	73.99
NMP	806.2
cyclohexane	289.6
DMSO	540.95
n-butyl acetate	925.92
n-octanol	249.65
chloroform	1961.5
n-propyl acetate	445.41
acetic acid	419.51
dichloromethane	1685.49
cyclohexanone	1225.93
propylene glycol	156.45
isopropyl acetate	645.02
DMAc	551.53
2-ethoxyethanol	358.91
isopentanol	599.35
n-heptane	108.93
ethyl formate	516.35
1,2-dichloroethane	1007.91
n-hexanol	835.7
2-methoxyethanol	870.26
isobutyl acetate	318.53
tetrachloromethane	315.85
n-pentyl acetate	371.57
transcutol	2154.63
n-heptanol	256.24
ethylbenzene	259.74
MIBK	479.62
2-propoxyethanol	1018.06
tert-butanol	765.59
MTBE	866.46
2-butoxyethanol	413.55
propionic acid	389.36
o-xylene	308.14
formic acid	120.47
diethyl ether	1146.75
m-xylene	453.6
p-xylene	306.32
chlorobenzene	735.92
dimethyl carbonate	239.14
n-octane	31.57
formamide	206.96
cyclopentanone	1359.15
2-pentanone	874.97
anisole	483.17
cyclopentyl methyl ether	1119.1
gamma-butyrolactone	1356.9
1-methoxy-2-propanol	736.02
pyridine	1052.26
3-pentanone	546.7
furfural	883.61
n-dodecane	23.16
diethylene glycol	467.87
diisopropyl ether	316.25
tert-amyl alcohol	480.69
acetylacetone	745.6
n-hexadecane	27.63
acetophenone	352.04
methyl propionate	657.96
isopentyl acetate	753.54
trichloroethylene	1660.71
n-nonanol	209.04
cyclohexanol	637.24
benzyl alcohol	299.32
2-ethylhexanol	408.75
isooctanol	192.41
dipropyl ether	602.69
1,2-dichlorobenzene	572.81
ethyl lactate	163.88
propylene carbonate	737.01
n-methylformamide	460.72
2-pentanol	442.46
n-pentane	130.28
1-propoxy-2-propanol	749.53
1-methoxy-2-propyl acetate	820.96
2-(2-methoxypropoxy) propanol	410.09
mesitylene	271.99
ε-caprolactone	1007.24
p-cymene	212.37
epichlorohydrin	1570.91
1,1,1-trichloroethane	968.63
2-aminoethanol	235.34
morpholine-4-carbaldehyde	979.68
sulfolane	914.28
2,2,4-trimethylpentane	56.56
2-methyltetrahydrofuran	1851.43
n-hexyl acetate	569.03
isooctane	58.98
2-(2-butoxyethoxy)ethanol	606.79
sec-butyl acetate	330.48
tert-butyl acetate	635.81
decalin	93.87
glycerin	176.27
diglyme	1004.97
acrylic acid	259.41
isopropyl myristate	207.09
n-butyric acid	740.8
acetyl acetate	523.97
di(2-ethylhexyl) phthalate	196.09
ethyl propionate	391.8
nitromethane	725.24
1,2-diethoxyethane	897.97
benzonitrile	536.25
trioctyl phosphate	146.82
1-bromopropane	786.47
gamma-valerolactone	1570.58
n-decanol	148.32
triethyl phosphate	181.36
4-methyl-2-pentanol	271.45
propionitrile	712.65
vinylene carbonate	637.78
1,1,2-trichlorotrifluoroethane	614.95
DMS	396.3
cumene	171.13
2-octanol	158.91
2-hexanone	431.51
octyl acetate	257.81
limonene	333.68
1,2-dimethoxyethane	794.84
ethyl orthosilicate	189.93
tributyl phosphate	192.1
diacetone alcohol	520.38
N,N-dimethylaniline	278.14
acrylonitrile	615.85
aniline	616.53
1,3-propanediol	417.82
bromobenzene	835.63
dibromomethane	1216.61
1,1,2,2-tetrachloroethane	1186.01
2-methyl-cyclohexyl acetate	374.92
tetrabutyl urea	206.75
diisobutyl methanol	222.36
2-phenylethanol	472.91
styrene	312.78
dioctyl adipate	283.51
dimethyl sulfate	257.56
ethyl butyrate	518.78
methyl lactate	222.58
butyl lactate	272.3
diethyl carbonate	312.44
propanediol butyl ether	362.34
triethyl orthoformate	339.11
p-tert-butyltoluene	223.15
methyl 4-tert-butylbenzoate	341.76
morpholine	2178.86
tert-butylamine	591.28
n-dodecanol	110.81
dimethoxymethane	909.87
ethylene carbonate	578.39
cyrene	291.58
2-ethoxyethyl acetate	525.64
2-ethylhexyl acetate	592.94
1,2,4-trichlorobenzene	630.12
4-methylpyridine	1118.36
dibutyl ether	376.31
2,6-dimethyl-4-heptanol	222.36
DEF	707.09
dimethyl isosorbide	781.61
tetrachloroethylene	733.91
eugenol	291.46
triacetin	422.64
span 80	381.53
1,4-butanediol	99.73
1,1-dichloroethane	1037.16
2-methyl-1-pentanol	296.35
methyl formate	353.43
2-methyl-1-butanol	481.03
n-decane	43.32
butyronitrile	873.0
3,7-dimethyl-1-octanol	261.32
1-chlorooctane	194.47
1-chlorotetradecane	71.81
n-nonane	43.64
undecane	30.5
tert-butylcyclohexane	84.6
cyclooctane	94.15
cyclopentanol	599.94
tetrahydropyran	2125.72
tert-amyl methyl ether	490.41
2,5,8-trioxanonane	645.06
1-hexene	339.13
2-isopropoxyethanol	280.09
2,2,2-trifluoroethanol	125.85
methyl butyrate	483.26

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