Molecular formula
C14H24O

SMILES
CC1CCC(=C)C(C1(C)C)CCC(=O)C

Fragrance
Woody	88.85%
Floral	57.74%
Orris	56.48%
Violet	51.61%
Dry	50.06%
Amber	48.57%
Tobacco	43.44%
Powdery	42.64%
Cedar	41.84%
Sweet	41.71%

 

Flavor
Woody	71.35%
Floral	46.15%
Herbal	34.27%
Wood	33.7%
Fruity	32.8%
Orris	32.61%
Green	31.66%
Sweet	30.5%
Camphor	29.2%
Amber	28.99%

 

Odor impact est.
Medium

XLogP3-AA
3.3

pKa est.
9.16 (weak base)

Molecular weight
208.34 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
280°C

Flash point

• 104.52 ˚C est.

• SCHEMBL16657545

4-(2,2,3-Trimethyl-6-methylidenecyclohexyl)butan-2-one, a ketone with a distinctive aroma, is primarily considered a fragrance ingredient and/or an intermediate in fragrance synthesis. In cosmetics and personal care formulations, it is commonly used as a fragrance component or odor fixative to enhance scent longevity. It may also be evaluated for household cleaning and consumer products applications as a fragrance ingredient, and can be used in coatings, inks, or polymer formulations to impart fragrance. In industrial manufacturing, the compound can serve as an intermediate in fragrance synthesis or related chemical processes, with use governed by local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	3838.24
methanol	3660.77
isopropanol	3401.95
water	2.23
ethyl acetate	4185.5
n-propanol	3207.23
acetone	4111.83
n-butanol	2728.38
acetonitrile	3447.41
DMF	3805.94
toluene	2243.36
isobutanol	1998.72
1,4-dioxane	6318.13
methyl acetate	2625.72
THF	8637.96
2-butanone	3014.11
n-pentanol	1061.74
sec-butanol	1990.68
n-hexane	181.11
ethylene glycol	275.61
NMP	2205.4
cyclohexane	531.49
DMSO	1968.78
n-butyl acetate	2283.18
n-octanol	470.98
chloroform	6762.33
n-propyl acetate	1376.72
acetic acid	1533.38
dichloromethane	5649.04
cyclohexanone	3593.27
propylene glycol	542.05
isopropyl acetate	2589.19
DMAc	2008.91
2-ethoxyethanol	1303.38
isopentanol	2039.64
n-heptane	122.38
ethyl formate	1823.33
1,2-dichloroethane	3427.66
n-hexanol	1927.51
2-methoxyethanol	3462.33
isobutyl acetate	842.49
tetrachloromethane	1085.13
n-pentyl acetate	961.23
transcutol	7022.27
n-heptanol	542.95
ethylbenzene	730.59
MIBK	1522.63
2-propoxyethanol	2855.54
tert-butanol	3346.5
MTBE	3447.3
2-butoxyethanol	1049.86
propionic acid	1476.95
o-xylene	934.8
formic acid	518.49
diethyl ether	3973.07
m-xylene	1300.51
p-xylene	877.2
chlorobenzene	2478.71
dimethyl carbonate	897.65
n-octane	34.62
formamide	1070.61
cyclopentanone	4090.22
2-pentanone	2814.74
anisole	1605.7
cyclopentyl methyl ether	3141.12
gamma-butyrolactone	4493.79
1-methoxy-2-propanol	2806.52
pyridine	3736.47
3-pentanone	1803.39
furfural	2934.79
n-dodecane	21.39
diethylene glycol	1358.09
diisopropyl ether	1001.64
tert-amyl alcohol	1833.08
acetylacetone	2738.08
n-hexadecane	26.61
acetophenone	1025.87
methyl propionate	2428.67
isopentyl acetate	1918.13
trichloroethylene	6037.19
n-nonanol	392.23
cyclohexanol	1962.43
benzyl alcohol	962.25
2-ethylhexanol	793.8
isooctanol	428.62
dipropyl ether	1263.6
1,2-dichlorobenzene	1753.67
ethyl lactate	455.91
propylene carbonate	2182.4
n-methylformamide	2203.53
2-pentanol	1605.74
n-pentane	245.39
1-propoxy-2-propanol	1962.76
1-methoxy-2-propyl acetate	2421.38
2-(2-methoxypropoxy) propanol	947.44
mesitylene	690.13
ε-caprolactone	3093.26
p-cymene	397.62
epichlorohydrin	5271.04
1,1,1-trichloroethane	3626.59
2-aminoethanol	971.0
morpholine-4-carbaldehyde	3147.27
sulfolane	2751.16
2,2,4-trimethylpentane	108.16
2-methyltetrahydrofuran	5484.69
n-hexyl acetate	1340.04
isooctane	109.19
2-(2-butoxyethoxy)ethanol	1568.39
sec-butyl acetate	1067.99
tert-butyl acetate	2301.18
decalin	166.39
glycerin	589.62
diglyme	3105.49
acrylic acid	954.83
isopropyl myristate	402.54
n-butyric acid	2694.5
acetyl acetate	2001.96
di(2-ethylhexyl) phthalate	365.65
ethyl propionate	1287.88
nitromethane	3090.24
1,2-diethoxyethane	2452.54
benzonitrile	1716.96
trioctyl phosphate	248.83
1-bromopropane	2224.6
gamma-valerolactone	4960.91
n-decanol	256.13
triethyl phosphate	418.35
4-methyl-2-pentanol	849.5
propionitrile	2832.18
vinylene carbonate	1996.13
1,1,2-trichlorotrifluoroethane	1910.27
DMS	1091.69
cumene	428.93
2-octanol	342.96
2-hexanone	1242.9
octyl acetate	487.05
limonene	598.06
1,2-dimethoxyethane	2693.55
ethyl orthosilicate	441.2
tributyl phosphate	373.99
diacetone alcohol	1711.32
N,N-dimethylaniline	816.12
acrylonitrile	2544.81
aniline	2421.32
1,3-propanediol	1727.79
bromobenzene	2651.19
dibromomethane	3551.62
1,1,2,2-tetrachloroethane	4179.15
2-methyl-cyclohexyl acetate	828.71
tetrabutyl urea	408.99
diisobutyl methanol	462.85
2-phenylethanol	1214.44
styrene	975.08
dioctyl adipate	554.33
dimethyl sulfate	924.05
ethyl butyrate	1285.5
methyl lactate	751.4
butyl lactate	678.85
diethyl carbonate	804.25
propanediol butyl ether	901.17
triethyl orthoformate	852.58
p-tert-butyltoluene	427.54
methyl 4-tert-butylbenzoate	843.54
morpholine	7645.46
tert-butylamine	2373.86
n-dodecanol	173.85
dimethoxymethane	2922.62
ethylene carbonate	1874.45
cyrene	661.74
2-ethoxyethyl acetate	1486.15
2-ethylhexyl acetate	1399.86
1,2,4-trichlorobenzene	1928.21
4-methylpyridine	4060.81
dibutyl ether	845.08
2,6-dimethyl-4-heptanol	462.85
DEF	2384.9
dimethyl isosorbide	1825.51
tetrachloroethylene	2680.33
eugenol	755.31
triacetin	984.38
span 80	775.2
1,4-butanediol	333.4
1,1-dichloroethane	4090.84
2-methyl-1-pentanol	840.42
methyl formate	1493.38
2-methyl-1-butanol	1619.79
n-decane	48.68
butyronitrile	2970.28
3,7-dimethyl-1-octanol	571.55
1-chlorooctane	322.31
1-chlorotetradecane	93.7
n-nonane	47.94
undecane	30.66
tert-butylcyclohexane	147.74
cyclooctane	142.16
cyclopentanol	1923.12
tetrahydropyran	6702.5
tert-amyl methyl ether	1586.73
2,5,8-trioxanonane	1669.19
1-hexene	714.79
2-isopropoxyethanol	859.71
2,2,2-trifluoroethanol	511.42
methyl butyrate	1559.54

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