Molecular formula
C13H20O

SMILES
CC1=C(C(CCC1)(C)C)C=CC(=O)C

Fragrance
Floral	92.85%
Woody	88.62%
Fruity	79.61%
Sweet	77.26%
Violet	70.42%
Berry	69.8%
Orris	62.96%
Powdery	62.69%
Raspberry	56.31%
Tropical	49.94%

 

Flavor
Floral	74.98%
Woody	72.43%
Orris	53.75%
Violet	49.09%
Sweet	46.19%
Powdery	45.28%
Dry	38.79%
Raspberry	36.35%
Tropical	33.56%
Fruity	32.8%

 

Odor impact est.
High

XLogP3-AA
2.9

pKa est.
9.18 (weak base)

Molecular weight
192.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
258°C

Flash point

• 111.73 ˚C est.

• beta-Jonone
• 4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
• 4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one
• DTXSID9025451
• ??-lonone
• 3-Buten-2-one, 4-(2,2,6-trimethylcyclohexenyl)-
• CHEMBL3184146
• AKOS028109879
• I0077
• NS00075791
• 4-(2,6,6-trimethylcyclohexen-1-yl)-3-buten-2-one

4-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3-en-2-one is primarily regarded as a fragrance-related compound and can serve as a precursor in the synthesis of aroma chemicals; practical applications include use as a fragrance ingredient in cosmetics and personal care; odor enhancement in household products such as cleaners and air fresheners; an intermediate in industrial fragrance manufacturing; and an aroma additive for polymers, plastics, and coating formulations, with use subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	505.88
methanol	604.12
isopropanol	316.31
water	0.47
ethyl acetate	575.17
n-propanol	401.27
acetone	561.41
n-butanol	370.07
acetonitrile	464.27
DMF	719.3
toluene	478.92
isobutanol	248.39
1,4-dioxane	1325.13
methyl acetate	478.73
THF	1620.27
2-butanone	492.44
n-pentanol	186.39
sec-butanol	245.08
n-hexane	60.81
ethylene glycol	48.36
NMP	694.39
cyclohexane	143.39
DMSO	313.23
n-butyl acetate	495.84
n-octanol	154.55
chloroform	1286.94
n-propyl acetate	260.94
acetic acid	232.22
dichloromethane	1148.44
cyclohexanone	745.11
propylene glycol	89.13
isopropyl acetate	325.33
DMAc	472.99
2-ethoxyethanol	221.56
isopentanol	276.98
n-heptane	57.52
ethyl formate	306.18
1,2-dichloroethane	610.81
n-hexanol	438.3
2-methoxyethanol	498.89
isobutyl acetate	188.46
tetrachloromethane	182.97
n-pentyl acetate	233.06
transcutol	1477.37
n-heptanol	149.15
ethylbenzene	188.04
MIBK	241.42
2-propoxyethanol	587.14
tert-butanol	354.5
MTBE	410.8
2-butoxyethanol	254.74
propionic acid	215.83
o-xylene	215.31
formic acid	85.1
diethyl ether	620.78
m-xylene	287.73
p-xylene	215.46
chlorobenzene	477.01
dimethyl carbonate	167.64
n-octane	18.83
formamide	153.04
cyclopentanone	882.58
2-pentanone	445.4
anisole	373.82
cyclopentyl methyl ether	670.34
gamma-butyrolactone	859.71
1-methoxy-2-propanol	378.32
pyridine	698.24
3-pentanone	331.93
furfural	622.39
n-dodecane	14.94
diethylene glycol	285.64
diisopropyl ether	152.28
tert-amyl alcohol	245.36
acetylacetone	424.34
n-hexadecane	17.77
acetophenone	269.8
methyl propionate	413.43
isopentyl acetate	401.64
trichloroethylene	1086.94
n-nonanol	137.14
cyclohexanol	349.57
benzyl alcohol	225.12
2-ethylhexanol	226.93
isooctanol	114.64
dipropyl ether	336.78
1,2-dichlorobenzene	391.67
ethyl lactate	104.37
propylene carbonate	468.94
n-methylformamide	309.5
2-pentanol	203.9
n-pentane	63.98
1-propoxy-2-propanol	384.12
1-methoxy-2-propyl acetate	483.8
2-(2-methoxypropoxy) propanol	279.75
mesitylene	168.01
ε-caprolactone	632.99
p-cymene	137.86
epichlorohydrin	957.45
1,1,1-trichloroethane	593.77
2-aminoethanol	140.92
morpholine-4-carbaldehyde	779.28
sulfolane	618.45
2,2,4-trimethylpentane	30.26
2-methyltetrahydrofuran	1098.18
n-hexyl acetate	368.17
isooctane	27.6
2-(2-butoxyethoxy)ethanol	400.05
sec-butyl acetate	193.25
tert-butyl acetate	330.6
decalin	57.51
glycerin	109.18
diglyme	693.89
acrylic acid	160.91
isopropyl myristate	137.54
n-butyric acid	356.73
acetyl acetate	302.47
di(2-ethylhexyl) phthalate	140.46
ethyl propionate	241.75
nitromethane	449.08
1,2-diethoxyethane	542.88
benzonitrile	364.65
trioctyl phosphate	97.17
1-bromopropane	444.83
gamma-valerolactone	997.78
n-decanol	98.81
triethyl phosphate	137.31
4-methyl-2-pentanol	126.63
propionitrile	434.89
vinylene carbonate	450.95
1,1,2-trichlorotrifluoroethane	393.1
DMS	290.48
cumene	118.12
2-octanol	96.63
2-hexanone	264.89
octyl acetate	179.33
limonene	201.79
1,2-dimethoxyethane	544.23
ethyl orthosilicate	139.36
tributyl phosphate	130.03
diacetone alcohol	285.0
N,N-dimethylaniline	221.61
acrylonitrile	393.11
aniline	400.92
1,3-propanediol	218.84
bromobenzene	534.45
dibromomethane	731.09
1,1,2,2-tetrachloroethane	763.54
2-methyl-cyclohexyl acetate	263.44
tetrabutyl urea	152.23
diisobutyl methanol	119.23
2-phenylethanol	322.69
styrene	232.96
dioctyl adipate	195.43
dimethyl sulfate	185.46
ethyl butyrate	304.13
methyl lactate	138.9
butyl lactate	169.71
diethyl carbonate	203.13
propanediol butyl ether	225.67
triethyl orthoformate	213.19
p-tert-butyltoluene	138.2
methyl 4-tert-butylbenzoate	239.62
morpholine	1372.42
tert-butylamine	272.94
n-dodecanol	72.76
dimethoxymethane	594.16
ethylene carbonate	374.97
cyrene	232.66
2-ethoxyethyl acetate	341.82
2-ethylhexyl acetate	343.19
1,2,4-trichlorobenzene	438.71
4-methylpyridine	796.06
dibutyl ether	235.22
2,6-dimethyl-4-heptanol	119.23
DEF	453.68
dimethyl isosorbide	589.34
tetrachloroethylene	481.88
eugenol	223.99
triacetin	297.42
span 80	254.09
1,4-butanediol	59.86
1,1-dichloroethane	630.6
2-methyl-1-pentanol	174.94
methyl formate	248.88
2-methyl-1-butanol	251.0
n-decane	27.37
butyronitrile	463.34
3,7-dimethyl-1-octanol	161.26
1-chlorooctane	125.15
1-chlorotetradecane	47.34
n-nonane	26.66
undecane	19.75
tert-butylcyclohexane	51.64
cyclooctane	46.43
cyclopentanol	324.81
tetrahydropyran	1223.5
tert-amyl methyl ether	273.45
2,5,8-trioxanonane	469.24
1-hexene	195.11
2-isopropoxyethanol	173.37
2,2,2-trifluoroethanol	73.42
methyl butyrate	291.65

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