Molecular formula
C14H22O

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

Fragrance
Fruity	81.97%
Herbal	69.58%
Mint	52.36%
Spicy	45.72%
Floral	42.54%
Fresh	40.52%
Citrus	37.61%
Woody	37.17%
Tobacco	34.02%
Sweet	33.14%

 

Flavor
Woody	54.65%
Herbal	44.48%
Spicy	41.57%
Minty	36.58%
Camphor	31.19%
Fresh	30.44%
Phenolic	28.38%
Wood	27.42%
Dry	26.38%
Floral	26.05%

 

Odor impact est.
High

XLogP3-AA
3.5

pKa est.
9.15 (weak base)

Molecular weight
206.32 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
263°C

Flash point

• 106.11 ˚C est.

• SCHEMBL4412683

2,3,6-Trimethyl-6-(3-methylbut-2-enyl)cyclohex-2-en-1-one may be used as a fragrance ingredient and fixative in perfumery, contributing woody and green notes and helping to stabilize the volatility of other components. In cosmetics and personal care, it may be considered as a fragrance component in products such as moisturizers and cleansers, subject to regional regulatory limits. In household products like air fresheners and cleaners, it may serve as a fragrance additive. In industrial manufacturing, it can act as an intermediate or building block for synthesizing related fragrance compounds. In coatings and inks, it may be evaluated as an odorant additive to impart scent.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1032.65
methanol	563.06
isopropanol	1389.36
water	1.06
ethyl acetate	2284.23
n-propanol	1113.6
acetone	1898.79
n-butanol	1223.33
acetonitrile	1539.76
DMF	2383.82
toluene	1760.84
isobutanol	1095.34
1,4-dioxane	2940.13
methyl acetate	1941.65
THF	2988.41
2-butanone	2298.45
n-pentanol	750.76
sec-butanol	1294.65
n-hexane	535.15
ethylene glycol	71.13
NMP	1287.78
cyclohexane	655.04
DMSO	561.83
n-butyl acetate	1737.06
n-octanol	729.74
chloroform	4338.98
n-propyl acetate	1258.56
acetic acid	624.58
dichloromethane	3107.87
cyclohexanone	2590.6
propylene glycol	177.66
isopropyl acetate	1826.58
DMAc	1923.34
2-ethoxyethanol	825.33
isopentanol	1318.36
n-heptane	262.9
ethyl formate	938.28
1,2-dichloroethane	2251.43
n-hexanol	1276.53
2-methoxyethanol	1191.9
isobutyl acetate	953.9
tetrachloromethane	963.05
n-pentyl acetate	1078.65
transcutol	2790.59
n-heptanol	749.74
ethylbenzene	1153.43
MIBK	1338.56
2-propoxyethanol	1309.79
tert-butanol	1898.18
MTBE	2832.45
2-butoxyethanol	969.18
propionic acid	655.34
o-xylene	1160.86
formic acid	129.81
diethyl ether	2477.06
m-xylene	1344.28
p-xylene	1487.07
chlorobenzene	1590.94
dimethyl carbonate	607.88
n-octane	159.9
formamide	295.65
cyclopentanone	2358.24
2-pentanone	2002.95
anisole	1504.53
cyclopentyl methyl ether	1839.31
gamma-butyrolactone	2020.95
1-methoxy-2-propanol	1234.47
pyridine	2294.27
3-pentanone	1681.07
furfural	1619.59
n-dodecane	97.05
diethylene glycol	539.14
diisopropyl ether	1096.87
tert-amyl alcohol	1646.92
acetylacetone	1758.6
n-hexadecane	118.1
acetophenone	1194.48
methyl propionate	1498.23
isopentyl acetate	1742.09
trichloroethylene	4134.15
n-nonanol	656.88
cyclohexanol	1291.5
benzyl alcohol	805.93
2-ethylhexanol	894.98
isooctanol	693.67
dipropyl ether	1103.55
1,2-dichlorobenzene	1379.44
ethyl lactate	405.1
propylene carbonate	1320.0
n-methylformamide	783.04
2-pentanol	1270.69
n-pentane	412.22
1-propoxy-2-propanol	1153.93
1-methoxy-2-propyl acetate	1463.27
2-(2-methoxypropoxy) propanol	821.79
mesitylene	925.55
ε-caprolactone	2022.46
p-cymene	558.27
epichlorohydrin	2535.59
1,1,1-trichloroethane	3185.36
2-aminoethanol	265.25
morpholine-4-carbaldehyde	1724.01
sulfolane	1360.99
2,2,4-trimethylpentane	219.5
2-methyltetrahydrofuran	2530.91
n-hexyl acetate	1619.9
isooctane	211.97
2-(2-butoxyethoxy)ethanol	1101.99
sec-butyl acetate	1157.69
tert-butyl acetate	1831.77
decalin	360.5
glycerin	210.02
diglyme	2022.62
acrylic acid	451.09
isopropyl myristate	626.43
n-butyric acid	1292.84
acetyl acetate	1272.74
di(2-ethylhexyl) phthalate	414.47
ethyl propionate	1232.61
nitromethane	1357.91
1,2-diethoxyethane	1716.18
benzonitrile	1242.46
trioctyl phosphate	309.6
1-bromopropane	1718.37
gamma-valerolactone	2563.77
n-decanol	456.88
triethyl phosphate	430.61
4-methyl-2-pentanol	816.6
propionitrile	1556.37
vinylene carbonate	1238.85
1,1,2-trichlorotrifluoroethane	1091.68
DMS	987.97
cumene	749.14
2-octanol	642.81
2-hexanone	1289.85
octyl acetate	724.59
limonene	754.98
1,2-dimethoxyethane	1930.48
ethyl orthosilicate	463.7
tributyl phosphate	392.43
diacetone alcohol	1297.17
N,N-dimethylaniline	1016.15
acrylonitrile	1367.44
aniline	1287.95
1,3-propanediol	562.73
bromobenzene	1798.41
dibromomethane	2215.81
1,1,2,2-tetrachloroethane	3276.44
2-methyl-cyclohexyl acetate	860.92
tetrabutyl urea	468.03
diisobutyl methanol	530.33
2-phenylethanol	1000.77
styrene	1233.57
dioctyl adipate	651.3
dimethyl sulfate	651.83
ethyl butyrate	1211.18
methyl lactate	453.94
butyl lactate	630.84
diethyl carbonate	742.03
propanediol butyl ether	665.48
triethyl orthoformate	754.85
p-tert-butyltoluene	583.88
methyl 4-tert-butylbenzoate	977.85
morpholine	2960.05
tert-butylamine	1535.88
n-dodecanol	336.3
dimethoxymethane	1529.07
ethylene carbonate	1058.21
cyrene	584.46
2-ethoxyethyl acetate	1214.49
2-ethylhexyl acetate	1352.9
1,2,4-trichlorobenzene	1493.95
4-methylpyridine	2798.22
dibutyl ether	1126.79
2,6-dimethyl-4-heptanol	530.33
DEF	1924.54
dimethyl isosorbide	1333.34
tetrachloroethylene	2042.65
eugenol	841.73
triacetin	938.6
span 80	717.43
1,4-butanediol	216.91
1,1-dichloroethane	3022.6
2-methyl-1-pentanol	889.55
methyl formate	591.42
2-methyl-1-butanol	1266.49
n-decane	192.52
butyronitrile	1688.31
3,7-dimethyl-1-octanol	747.14
1-chlorooctane	655.14
1-chlorotetradecane	250.68
n-nonane	197.47
undecane	130.74
tert-butylcyclohexane	354.22
cyclooctane	277.42
cyclopentanol	1019.31
tetrahydropyran	3008.77
tert-amyl methyl ether	1830.69
2,5,8-trioxanonane	1166.54
1-hexene	1124.7
2-isopropoxyethanol	761.64
2,2,2-trifluoroethanol	274.28
methyl butyrate	1489.42

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