Molecular formula
C14H22O

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

Fragrance
Woody	90.84%
Floral	89.06%
Sweet	77.87%
Violet	75.0%
Powdery	66.94%
Orris	66.09%
Berry	64.57%
Fruity	62.83%
Raspberry	48.65%
Dry	45.6%

 

Flavor
Floral	80.86%
Woody	80.4%
Orris	56.19%
Sweet	55.13%
Violet	53.01%
Powdery	44.61%
Tropical	41.03%
Dry	38.25%
Fruity	37.66%
Raspberry	37.35%

 

Odor impact est.
High

XLogP3-AA
2.9

pKa est.
9.36 (weak base)

Molecular weight
206.32 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
269°C

Flash point

• 111.25 ˚C est.

Chemical name: 4-(2,3,6,6-Tetramethylcyclohex-2-en-1-yl)but-3-en-2-one; CAS number: It is a fragrance-relevant enone used as an aroma compound and potential intermediate. Common applications include perfumery/fragrance where it can function as an odorant and, where appropriate, as a fixative; flavor applications at trace levels in beverages or confections; cosmetics/personal care as a fragrance ingredient; household products such as air fresheners and cleaners to impart scent; and industrial manufacturing as an intermediate for the synthesis of related aroma compounds or as a precursor in fragrance formulations. Usage is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	522.92
methanol	395.21
isopropanol	450.0
water	0.46
ethyl acetate	962.74
n-propanol	499.65
acetone	902.29
n-butanol	498.91
acetonitrile	715.08
DMF	1027.39
toluene	913.72
isobutanol	368.4
1,4-dioxane	1582.04
methyl acetate	816.77
THF	2152.74
2-butanone	985.37
n-pentanol	250.87
sec-butanol	395.51
n-hexane	117.6
ethylene glycol	49.09
NMP	956.25
cyclohexane	217.74
DMSO	453.27
n-butyl acetate	684.38
n-octanol	205.42
chloroform	2056.69
n-propyl acetate	415.26
acetic acid	254.94
dichloromethane	1650.13
cyclohexanone	1178.84
propylene glycol	117.78
isopropyl acetate	623.11
DMAc	832.27
2-ethoxyethanol	284.44
isopentanol	442.04
n-heptane	65.59
ethyl formate	374.73
1,2-dichloroethane	1048.12
n-hexanol	570.38
2-methoxyethanol	555.63
isobutyl acetate	313.27
tetrachloromethane	357.57
n-pentyl acetate	346.89
transcutol	1936.29
n-heptanol	215.58
ethylbenzene	375.79
MIBK	458.78
2-propoxyethanol	710.55
tert-butanol	595.66
MTBE	852.23
2-butoxyethanol	357.65
propionic acid	312.48
o-xylene	437.1
formic acid	71.85
diethyl ether	936.64
m-xylene	571.14
p-xylene	450.29
chlorobenzene	837.96
dimethyl carbonate	302.76
n-octane	23.07
formamide	148.88
cyclopentanone	1416.61
2-pentanone	803.8
anisole	620.0
cyclopentyl methyl ether	1038.04
gamma-butyrolactone	1329.85
1-methoxy-2-propanol	561.01
pyridine	1062.09
3-pentanone	663.55
furfural	904.75
n-dodecane	16.57
diethylene glycol	327.35
diisopropyl ether	291.83
tert-amyl alcohol	444.4
acetylacetone	736.04
n-hexadecane	20.54
acetophenone	470.51
methyl propionate	704.62
isopentyl acetate	613.11
trichloroethylene	1958.95
n-nonanol	189.85
cyclohexanol	525.24
benzyl alcohol	343.9
2-ethylhexanol	312.41
isooctanol	178.51
dipropyl ether	425.49
1,2-dichlorobenzene	674.79
ethyl lactate	178.29
propylene carbonate	700.87
n-methylformamide	381.62
2-pentanol	354.0
n-pentane	108.01
1-propoxy-2-propanol	539.51
1-methoxy-2-propyl acetate	724.86
2-(2-methoxypropoxy) propanol	381.52
mesitylene	325.95
ε-caprolactone	963.0
p-cymene	204.34
epichlorohydrin	1585.61
1,1,1-trichloroethane	1200.0
2-aminoethanol	159.16
morpholine-4-carbaldehyde	1062.35
sulfolane	1008.83
2,2,4-trimethylpentane	57.49
2-methyltetrahydrofuran	1680.19
n-hexyl acetate	540.95
isooctane	48.58
2-(2-butoxyethoxy)ethanol	533.63
sec-butyl acetate	366.66
tert-butyl acetate	621.53
decalin	98.2
glycerin	138.58
diglyme	961.61
acrylic acid	228.92
isopropyl myristate	202.17
n-butyric acid	512.34
acetyl acetate	496.91
di(2-ethylhexyl) phthalate	185.27
ethyl propionate	417.91
nitromethane	590.82
1,2-diethoxyethane	700.24
benzonitrile	548.91
trioctyl phosphate	131.57
1-bromopropane	782.63
gamma-valerolactone	1471.99
n-decanol	133.26
triethyl phosphate	191.82
4-methyl-2-pentanol	228.43
propionitrile	677.85
vinylene carbonate	618.41
1,1,2-trichlorotrifluoroethane	619.96
DMS	482.22
cumene	231.3
2-octanol	144.93
2-hexanone	437.17
octyl acetate	250.9
limonene	295.38
1,2-dimethoxyethane	662.25
ethyl orthosilicate	193.16
tributyl phosphate	174.48
diacetone alcohol	506.14
N,N-dimethylaniline	393.65
acrylonitrile	623.54
aniline	690.57
1,3-propanediol	237.46
bromobenzene	991.91
dibromomethane	1161.56
1,1,2,2-tetrachloroethane	1487.87
2-methyl-cyclohexyl acetate	379.43
tetrabutyl urea	198.45
diisobutyl methanol	167.61
2-phenylethanol	470.46
styrene	432.25
dioctyl adipate	267.8
dimethyl sulfate	373.91
ethyl butyrate	429.31
methyl lactate	239.31
butyl lactate	256.78
diethyl carbonate	289.31
propanediol butyl ether	316.86
triethyl orthoformate	292.99
p-tert-butyltoluene	215.95
methyl 4-tert-butylbenzoate	399.74
morpholine	1668.8
tert-butylamine	468.3
n-dodecanol	93.85
dimethoxymethane	777.74
ethylene carbonate	524.56
cyrene	319.1
2-ethoxyethyl acetate	509.38
2-ethylhexyl acetate	505.09
1,2,4-trichlorobenzene	783.99
4-methylpyridine	1304.48
dibutyl ether	322.93
2,6-dimethyl-4-heptanol	167.61
DEF	735.84
dimethyl isosorbide	736.64
tetrachloroethylene	842.49
eugenol	343.52
triacetin	461.56
span 80	347.9
1,4-butanediol	72.18
1,1-dichloroethane	1223.35
2-methyl-1-pentanol	265.96
methyl formate	295.2
2-methyl-1-butanol	391.14
n-decane	32.24
butyronitrile	646.46
3,7-dimethyl-1-octanol	236.56
1-chlorooctane	177.12
1-chlorotetradecane	61.72
n-nonane	32.0
undecane	22.09
tert-butylcyclohexane	90.3
cyclooctane	77.35
cyclopentanol	489.52
tetrahydropyran	1686.69
tert-amyl methyl ether	548.5
2,5,8-trioxanonane	576.68
1-hexene	340.29
2-isopropoxyethanol	259.67
2,2,2-trifluoroethanol	109.25
methyl butyrate	479.46

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