Molecular formula
C14H22O

SMILES
CC1CC(=CC(C1C=C(C)C(=O)C)C)C

Safety labels

Fragrance
Woody	79.92%
Floral	65.56%
Violet	45.91%
Orris	42.2%
Powdery	40.16%
Dry	38.8%
Amber	33.14%
Vetiver	32.75%
Sweet	32.46%
Sandalwood	31.92%

 

Flavor
Woody	58.55%
Floral	50.46%
Sweet	48.43%
Herbal	41.43%
Spicy	37.49%
Minty	33.12%
Violet	32.18%
Tropical	31.77%
Mint	30.56%
Powdery	29.37%

 

Odor impact est.
Medium

XLogP3-AA
3.0

pKa est.
9.24 (weak base)

Molecular weight
206.32 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
261°C

Flash point

• 109.77 ˚C est.

• DTXSID60867338
• 3-Buten-2-one, 3-methyl-4-(2,4,6-trimethyl-3-cyclohexen-1-yl)-
• PBKBMLILZYXPBO-UHFFFAOYSA-N
• NS00087300

3-Methyl-4-(2,4,6-trimethylcyclohex-3-en-1-yl)but-3-en-2-one is used as an aroma compound and fragrance intermediate in perfumery; it may function as a note, a fixative, or a scent carrier to help stabilize and extend fragrance in diverse formulations. It can contribute to aroma profiles in flavor applications (where permitted), and in cosmetics/personal care as a fragrance ingredient in lotions, creams, shampoos, and soaps. In household products such as cleaners, detergents, and air fresheners, it provides lasting scent. In industrial manufacturing, it serves as an intermediate for synthesizing related fragrance ingredients and as a building block for aroma chemicals.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	729.72
methanol	493.95
isopropanol	837.21
water	0.38
ethyl acetate	871.74
n-propanol	659.51
acetone	809.66
n-butanol	710.67
acetonitrile	704.03
DMF	726.58
toluene	775.97
isobutanol	543.11
1,4-dioxane	1643.07
methyl acetate	695.68
THF	2044.68
2-butanone	868.35
n-pentanol	373.37
sec-butanol	594.83
n-hexane	169.26
ethylene glycol	47.64
NMP	587.18
cyclohexane	267.89
DMSO	362.94
n-butyl acetate	731.39
n-octanol	277.04
chloroform	1888.36
n-propyl acetate	380.2
acetic acid	271.49
dichloromethane	1534.36
cyclohexanone	1095.34
propylene glycol	108.54
isopropyl acetate	565.83
DMAc	548.36
2-ethoxyethanol	334.12
isopentanol	637.83
n-heptane	104.89
ethyl formate	343.46
1,2-dichloroethane	895.27
n-hexanol	756.57
2-methoxyethanol	581.06
isobutyl acetate	287.7
tetrachloromethane	336.63
n-pentyl acetate	359.67
transcutol	1593.62
n-heptanol	281.78
ethylbenzene	332.91
MIBK	470.05
2-propoxyethanol	779.58
tert-butanol	963.18
MTBE	1127.11
2-butoxyethanol	387.87
propionic acid	283.8
o-xylene	398.18
formic acid	55.22
diethyl ether	1173.67
m-xylene	536.46
p-xylene	381.25
chlorobenzene	610.26
dimethyl carbonate	178.67
n-octane	48.59
formamide	91.32
cyclopentanone	1087.14
2-pentanone	763.51
anisole	490.23
cyclopentyl methyl ether	913.62
gamma-butyrolactone	857.51
1-methoxy-2-propanol	604.54
pyridine	937.09
3-pentanone	542.7
furfural	593.4
n-dodecane	32.4
diethylene glycol	344.74
diisopropyl ether	347.69
tert-amyl alcohol	606.37
acetylacetone	604.88
n-hexadecane	38.37
acetophenone	359.02
methyl propionate	507.25
isopentyl acetate	620.13
trichloroethylene	1543.74
n-nonanol	239.32
cyclohexanol	654.29
benzyl alcohol	323.79
2-ethylhexanol	384.91
isooctanol	228.24
dipropyl ether	472.12
1,2-dichlorobenzene	474.16
ethyl lactate	148.29
propylene carbonate	485.91
n-methylformamide	250.28
2-pentanol	552.13
n-pentane	167.6
1-propoxy-2-propanol	600.42
1-methoxy-2-propyl acetate	571.11
2-(2-methoxypropoxy) propanol	346.06
mesitylene	311.56
ε-caprolactone	825.98
p-cymene	205.47
epichlorohydrin	1169.73
1,1,1-trichloroethane	1094.77
2-aminoethanol	147.89
morpholine-4-carbaldehyde	741.08
sulfolane	642.1
2,2,4-trimethylpentane	76.21
2-methyltetrahydrofuran	1602.3
n-hexyl acetate	544.46
isooctane	71.35
2-(2-butoxyethoxy)ethanol	506.83
sec-butyl acetate	319.91
tert-butyl acetate	574.86
decalin	108.03
glycerin	121.82
diglyme	827.26
acrylic acid	188.4
isopropyl myristate	204.37
n-butyric acid	565.15
acetyl acetate	392.54
di(2-ethylhexyl) phthalate	174.18
ethyl propionate	350.85
nitromethane	435.57
1,2-diethoxyethane	747.38
benzonitrile	481.87
trioctyl phosphate	131.24
1-bromopropane	826.02
gamma-valerolactone	1075.7
n-decanol	172.53
triethyl phosphate	157.93
4-methyl-2-pentanol	324.25
propionitrile	650.46
vinylene carbonate	425.82
1,1,2-trichlorotrifluoroethane	466.23
DMS	348.47
cumene	219.16
2-octanol	211.22
2-hexanone	440.42
octyl acetate	254.9
limonene	306.22
1,2-dimethoxyethane	685.32
ethyl orthosilicate	168.82
tributyl phosphate	159.23
diacetone alcohol	473.66
N,N-dimethylaniline	305.04
acrylonitrile	509.75
aniline	587.29
1,3-propanediol	290.0
bromobenzene	702.12
dibromomethane	1152.39
1,1,2,2-tetrachloroethane	1159.67
2-methyl-cyclohexyl acetate	316.64
tetrabutyl urea	184.0
diisobutyl methanol	220.63
2-phenylethanol	420.63
styrene	374.51
dioctyl adipate	237.89
dimethyl sulfate	216.33
ethyl butyrate	397.16
methyl lactate	171.88
butyl lactate	238.26
diethyl carbonate	240.79
propanediol butyl ether	339.56
triethyl orthoformate	268.98
p-tert-butyltoluene	214.73
methyl 4-tert-butylbenzoate	332.6
morpholine	1669.49
tert-butylamine	689.87
n-dodecanol	129.95
dimethoxymethane	637.29
ethylene carbonate	380.87
cyrene	271.4
2-ethoxyethyl acetate	493.71
2-ethylhexyl acetate	472.36
1,2,4-trichlorobenzene	529.7
4-methylpyridine	1086.62
dibutyl ether	389.93
2,6-dimethyl-4-heptanol	220.63
DEF	587.6
dimethyl isosorbide	574.31
tetrachloroethylene	713.68
eugenol	293.89
triacetin	379.35
span 80	321.45
1,4-butanediol	102.53
1,1-dichloroethane	1268.87
2-methyl-1-pentanol	373.28
methyl formate	193.4
2-methyl-1-butanol	554.86
n-decane	60.97
butyronitrile	757.94
3,7-dimethyl-1-octanol	282.81
1-chlorooctane	238.62
1-chlorotetradecane	87.0
n-nonane	61.79
undecane	42.5
tert-butylcyclohexane	109.62
cyclooctane	94.13
cyclopentanol	561.25
tetrahydropyran	1823.87
tert-amyl methyl ether	610.57
2,5,8-trioxanonane	507.92
1-hexene	460.99
2-isopropoxyethanol	298.62
2,2,2-trifluoroethanol	95.21
methyl butyrate	421.35

Scent© AI