Molecular formula
C14H22O

SMILES
CC1CC(C(C(=C1)C)C=CC(=O)C)(C)C

Fragrance
Woody	89.12%
Floral	84.47%
Violet	71.23%
Sweet	70.24%
Orris	59.76%
Powdery	59.54%
Berry	54.93%
Fruity	48.69%
Dry	44.04%
Tobacco	42.98%

 

Flavor
Woody	78.83%
Floral	77.68%
Sweet	64.8%
Violet	54.12%
Orris	52.24%
Fruity	48.48%
Powdery	47.34%
Tropical	44.4%
Raspberry	38.42%
Berry	37.23%

 

Odor impact est.
High

XLogP3-AA
3.3

pKa est.
8.62 (weak base)

Molecular weight
206.32 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
262°C

Flash point

• 121.06 ˚C est.

Chemical name: 4-(2,4,6,6-Tetramethylcyclohex-2-en-1-yl)but-3-en-2-one; CAS number: Its primary applications lie in fragrance chemistry as an odorant and as a synthetic intermediate. In perfumery, it contributes terpenoid-like notes and serves as a building block for the synthesis of other aroma compounds. In cosmetics and personal care, it is used as a fragrance ingredient. In household products, it may be included in fragrance formulations for cleaners and detergents. As a reactive enone, it can act as a precursor in organic synthesis for specialty polymers or coatings with scent components.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	571.14
methanol	636.43
isopropanol	333.57
water	0.4
ethyl acetate	603.97
n-propanol	435.79
acetone	581.09
n-butanol	416.22
acetonitrile	425.03
DMF	722.08
toluene	536.46
isobutanol	299.96
1,4-dioxane	1201.57
methyl acetate	477.12
THF	2046.97
2-butanone	496.0
n-pentanol	228.56
sec-butanol	276.25
n-hexane	92.66
ethylene glycol	45.83
NMP	807.61
cyclohexane	180.96
DMSO	329.0
n-butyl acetate	622.49
n-octanol	201.89
chloroform	1136.27
n-propyl acetate	289.72
acetic acid	298.13
dichloromethane	1078.51
cyclohexanone	852.06
propylene glycol	99.42
isopropyl acetate	375.85
DMAc	474.81
2-ethoxyethanol	241.45
isopentanol	333.62
n-heptane	89.27
ethyl formate	337.89
1,2-dichloroethane	614.2
n-hexanol	591.97
2-methoxyethanol	550.95
isobutyl acetate	228.57
tetrachloromethane	177.34
n-pentyl acetate	289.6
transcutol	1360.68
n-heptanol	201.03
ethylbenzene	199.13
MIBK	323.46
2-propoxyethanol	753.63
tert-butanol	386.55
MTBE	493.37
2-butoxyethanol	299.62
propionic acid	244.65
o-xylene	241.47
formic acid	97.02
diethyl ether	681.2
m-xylene	348.53
p-xylene	228.89
chlorobenzene	490.57
dimethyl carbonate	187.26
n-octane	27.14
formamide	136.84
cyclopentanone	997.31
2-pentanone	518.64
anisole	358.34
cyclopentyl methyl ether	873.07
gamma-butyrolactone	989.43
1-methoxy-2-propanol	451.26
pyridine	727.71
3-pentanone	363.46
furfural	675.05
n-dodecane	20.67
diethylene glycol	339.22
diisopropyl ether	202.33
tert-amyl alcohol	284.31
acetylacetone	471.18
n-hexadecane	24.35
acetophenone	273.77
methyl propionate	442.36
isopentyl acetate	517.22
trichloroethylene	1097.27
n-nonanol	169.62
cyclohexanol	424.58
benzyl alcohol	237.86
2-ethylhexanol	301.79
isooctanol	149.76
dipropyl ether	409.75
1,2-dichlorobenzene	384.35
ethyl lactate	128.47
propylene carbonate	548.46
n-methylformamide	312.67
2-pentanol	255.51
n-pentane	99.42
1-propoxy-2-propanol	504.18
1-methoxy-2-propyl acetate	568.01
2-(2-methoxypropoxy) propanol	305.16
mesitylene	206.24
ε-caprolactone	724.33
p-cymene	170.09
epichlorohydrin	1120.71
1,1,1-trichloroethane	598.33
2-aminoethanol	146.73
morpholine-4-carbaldehyde	790.93
sulfolane	738.95
2,2,4-trimethylpentane	44.73
2-methyltetrahydrofuran	1277.36
n-hexyl acetate	468.65
isooctane	44.46
2-(2-butoxyethoxy)ethanol	424.47
sec-butyl acetate	224.83
tert-butyl acetate	415.36
decalin	70.24
glycerin	112.6
diglyme	708.65
acrylic acid	186.09
isopropyl myristate	162.32
n-butyric acid	413.83
acetyl acetate	343.24
di(2-ethylhexyl) phthalate	166.52
ethyl propionate	261.73
nitromethane	464.87
1,2-diethoxyethane	555.09
benzonitrile	381.49
trioctyl phosphate	121.46
1-bromopropane	491.2
gamma-valerolactone	1129.6
n-decanol	123.61
triethyl phosphate	150.81
4-methyl-2-pentanol	163.91
propionitrile	387.48
vinylene carbonate	468.15
1,1,2-trichlorotrifluoroethane	464.27
DMS	330.1
cumene	133.61
2-octanol	130.53
2-hexanone	295.91
octyl acetate	211.55
limonene	259.25
1,2-dimethoxyethane	548.53
ethyl orthosilicate	155.57
tributyl phosphate	149.59
diacetone alcohol	359.81
N,N-dimethylaniline	232.47
acrylonitrile	369.83
aniline	417.84
1,3-propanediol	241.87
bromobenzene	545.02
dibromomethane	731.96
1,1,2,2-tetrachloroethane	744.18
2-methyl-cyclohexyl acetate	295.91
tetrabutyl urea	173.63
diisobutyl methanol	149.45
2-phenylethanol	391.54
styrene	230.24
dioctyl adipate	211.28
dimethyl sulfate	209.5
ethyl butyrate	340.0
methyl lactate	160.53
butyl lactate	209.62
diethyl carbonate	212.52
propanediol butyl ether	272.22
triethyl orthoformate	242.47
p-tert-butyltoluene	168.89
methyl 4-tert-butylbenzoate	271.5
morpholine	1320.48
tert-butylamine	305.08
n-dodecanol	93.55
dimethoxymethane	688.67
ethylene carbonate	410.79
cyrene	254.81
2-ethoxyethyl acetate	403.57
2-ethylhexyl acetate	428.82
1,2,4-trichlorobenzene	433.34
4-methylpyridine	837.55
dibutyl ether	276.68
2,6-dimethyl-4-heptanol	149.45
DEF	485.8
dimethyl isosorbide	628.38
tetrachloroethylene	480.49
eugenol	243.24
triacetin	320.71
span 80	292.08
1,4-butanediol	70.64
1,1-dichloroethane	627.3
2-methyl-1-pentanol	213.53
methyl formate	264.63
2-methyl-1-butanol	303.73
n-decane	38.45
butyronitrile	478.24
3,7-dimethyl-1-octanol	200.26
1-chlorooctane	160.87
1-chlorotetradecane	60.37
n-nonane	39.21
undecane	27.23
tert-butylcyclohexane	67.08
cyclooctane	66.99
cyclopentanol	405.31
tetrahydropyran	1296.07
tert-amyl methyl ether	345.41
2,5,8-trioxanonane	451.01
1-hexene	246.54
2-isopropoxyethanol	193.81
2,2,2-trifluoroethanol	92.42
methyl butyrate	326.14

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