Molecular formula
C15H24O

SMILES
CCC(=O)C(=CC1C(CC=CC1(C)C)C)C

Fragrance
Woody	86.56%
Violet	54.96%
Floral	50.82%
Orris	50.03%
Powdery	49.97%
Amber	47.02%
Sandalwood	45.85%
Dry	45.01%
Musk	39.51%
Vetiver	38.5%

 

Flavor
Woody	61.27%
Herbal	45.18%
Floral	38.18%
Sweet	34.61%
Spicy	32.21%
Wood	30.27%
Herb	29.15%
Minty	26.28%
Tropical	25.91%
Violet	25.31%

 

Odor impact est.
Medium

XLogP3-AA
4.1

pKa est.
8.92 (weak base)

Molecular weight
220.35 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
259°C

Flash point

• 120.62 ˚C est.

• DTXSID80867678
• 2-methyl-1-(2,2,6-trimethylcyclohex-3-en-1-yl)pent-1-en-3-one

2-Methyl-1-(2,2,6-trimethylcyclohex-3-en-1-yl)pent-1-en-3-one is chiefly used in fragrance chemistry as a scent ingredient and fragrance intermediate, contributing a terpenoid-like aroma and potentially serving as a fixative or harmonizer in perfumery formulations. It is also employed in cosmetics and personal care products as a fragrance ingredient, and in household products such as air fresheners and cleaners to impart distinctive aroma profiles. In flavor and fragrance research, the compound is evaluated for its aroma contributions and compatibility with other components. In industrial manufacturing, it can serve as an intermediate for the synthesis of related fragrance molecules and as a building block in customized scent portfolios. Usage is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	840.56
methanol	514.8
isopropanol	961.2
water	0.34
ethyl acetate	1815.38
n-propanol	846.33
acetone	1440.72
n-butanol	969.93
acetonitrile	1028.99
DMF	1602.93
toluene	1721.21
isobutanol	796.6
1,4-dioxane	2096.03
methyl acetate	1163.94
THF	3034.38
2-butanone	1558.76
n-pentanol	513.85
sec-butanol	805.48
n-hexane	319.46
ethylene glycol	46.81
NMP	1319.05
cyclohexane	609.41
DMSO	537.32
n-butyl acetate	1433.39
n-octanol	387.48
chloroform	3217.24
n-propyl acetate	802.93
acetic acid	427.78
dichloromethane	2775.39
cyclohexanone	2193.29
propylene glycol	108.5
isopropyl acetate	1335.74
DMAc	1253.99
2-ethoxyethanol	476.49
isopentanol	983.2
n-heptane	148.67
ethyl formate	604.72
1,2-dichloroethane	1891.38
n-hexanol	1011.27
2-methoxyethanol	788.56
isobutyl acetate	615.18
tetrachloromethane	656.52
n-pentyl acetate	701.93
transcutol	2533.52
n-heptanol	406.35
ethylbenzene	701.2
MIBK	1027.99
2-propoxyethanol	1078.01
tert-butanol	1237.67
MTBE	2083.73
2-butoxyethanol	602.63
propionic acid	436.4
o-xylene	831.44
formic acid	80.35
diethyl ether	2146.05
m-xylene	1089.45
p-xylene	821.1
chlorobenzene	1386.03
dimethyl carbonate	425.36
n-octane	64.38
formamide	160.35
cyclopentanone	1963.87
2-pentanone	1627.37
anisole	976.95
cyclopentyl methyl ether	1759.55
gamma-butyrolactone	1678.24
1-methoxy-2-propanol	842.46
pyridine	1770.06
3-pentanone	1212.62
furfural	1177.24
n-dodecane	38.56
diethylene glycol	422.52
diisopropyl ether	735.28
tert-amyl alcohol	945.6
acetylacetone	1303.1
n-hexadecane	47.2
acetophenone	761.29
methyl propionate	1047.27
isopentyl acetate	1337.36
trichloroethylene	3210.67
n-nonanol	347.54
cyclohexanol	1081.51
benzyl alcohol	555.86
2-ethylhexanol	605.54
isooctanol	358.0
dipropyl ether	798.49
1,2-dichlorobenzene	1126.35
ethyl lactate	247.42
propylene carbonate	977.42
n-methylformamide	467.44
2-pentanol	847.85
n-pentane	306.35
1-propoxy-2-propanol	872.46
1-methoxy-2-propyl acetate	1131.88
2-(2-methoxypropoxy) propanol	543.01
mesitylene	664.53
ε-caprolactone	1628.63
p-cymene	374.78
epichlorohydrin	2238.6
1,1,1-trichloroethane	2139.59
2-aminoethanol	164.5
morpholine-4-carbaldehyde	1418.29
sulfolane	1283.88
2,2,4-trimethylpentane	143.36
2-methyltetrahydrofuran	2477.97
n-hexyl acetate	1037.3
isooctane	129.89
2-(2-butoxyethoxy)ethanol	779.47
sec-butyl acetate	738.38
tert-butyl acetate	1276.89
decalin	219.11
glycerin	138.65
diglyme	1412.28
acrylic acid	306.13
isopropyl myristate	354.06
n-butyric acid	957.35
acetyl acetate	834.92
di(2-ethylhexyl) phthalate	292.71
ethyl propionate	784.86
nitromethane	807.64
1,2-diethoxyethane	1251.84
benzonitrile	899.16
trioctyl phosphate	209.24
1-bromopropane	1576.16
gamma-valerolactone	2026.06
n-decanol	232.44
triethyl phosphate	295.13
4-methyl-2-pentanol	530.88
propionitrile	1044.99
vinylene carbonate	886.17
1,1,2-trichlorotrifluoroethane	816.05
DMS	710.05
cumene	431.75
2-octanol	309.86
2-hexanone	821.25
octyl acetate	423.94
limonene	549.91
1,2-dimethoxyethane	1159.71
ethyl orthosilicate	315.87
tributyl phosphate	270.55
diacetone alcohol	844.92
N,N-dimethylaniline	615.92
acrylonitrile	909.4
aniline	1087.38
1,3-propanediol	365.73
bromobenzene	1620.31
dibromomethane	1977.2
1,1,2,2-tetrachloroethane	2447.78
2-methyl-cyclohexyl acetate	614.94
tetrabutyl urea	315.56
diisobutyl methanol	348.11
2-phenylethanol	737.16
styrene	810.78
dioctyl adipate	417.33
dimethyl sulfate	488.3
ethyl butyrate	806.81
methyl lactate	294.36
butyl lactate	417.89
diethyl carbonate	474.35
propanediol butyl ether	446.17
triethyl orthoformate	521.08
p-tert-butyltoluene	383.41
methyl 4-tert-butylbenzoate	630.66
morpholine	2271.78
tert-butylamine	992.79
n-dodecanol	163.85
dimethoxymethane	1254.75
ethylene carbonate	792.79
cyrene	431.6
2-ethoxyethyl acetate	896.74
2-ethylhexyl acetate	1036.97
1,2,4-trichlorobenzene	1206.89
4-methylpyridine	2240.31
dibutyl ether	640.08
2,6-dimethyl-4-heptanol	348.11
DEF	1492.51
dimethyl isosorbide	978.82
tetrachloroethylene	1549.58
eugenol	512.44
triacetin	655.9
span 80	479.82
1,4-butanediol	119.44
1,1-dichloroethane	2253.15
2-methyl-1-pentanol	560.16
methyl formate	359.84
2-methyl-1-butanol	908.37
n-decane	77.11
butyronitrile	1307.84
3,7-dimethyl-1-octanol	422.28
1-chlorooctane	365.92
1-chlorotetradecane	122.35
n-nonane	78.63
undecane	52.24
tert-butylcyclohexane	193.79
cyclooctane	198.95
cyclopentanol	818.82
tetrahydropyran	2827.6
tert-amyl methyl ether	1204.01
2,5,8-trioxanonane	781.81
1-hexene	804.5
2-isopropoxyethanol	453.39
2,2,2-trifluoroethanol	154.97
methyl butyrate	957.12

Scent© AI