Molecular formula
C14H22O

SMILES
CCC(=O)C=CC1C(=CCCC1(C)C)C

Fragrance
Woody	86.53%
Floral	81.45%
Sweet	71.92%
Violet	70.42%
Powdery	61.1%
Orris	59.73%
Fruity	59.12%
Berry	58.83%
Tobacco	44.64%
Dry	42.76%

 

Flavor
Floral	66.06%
Woody	64.99%
Fruity	45.76%
Sweet	44.11%
Violet	39.6%
Orris	37.48%
Spicy	37.02%
Tropical	36.42%
Berry	32.45%
Powdery	31.2%

 

Odor impact est.
High

XLogP3-AA
3.4

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.
264°C

Flash point

• 120.98 ˚C est.

• Methyl-alpha-ionone
• 1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
• 1-METHYL-ALPHA-IONONE
• 1-Penten-3-one, 1-[(1R)-2,6,6-trimethyl-2-cyclohexen-1-yl]-, (1E)-
• SCHEMBL115151
• CHEMBL4569846
• AKOS024332472
• NS00079526
• 5-(2,6,6-trimethylcyclohex-2-en-1-yl)-pent-4-en-3-one
• Methylionone (mixture of a- and b-, predominantly a-n-isomer)

1-(2,6,6-Trimethylcyclohex-2-en-1-yl)pent-1-en-3-one is used primarily in perfumery as an odorant and fragrance ingredient, contributing woody and green notes and providing some fixative character in blends; it is commonly evaluated as an intermediate in the synthesis of other fragrance materials; in cosmetics and personal care, it serves as a fragrance component; in household products, it acts as a scent additive in cleaners and air fresheners; in industrial manufacturing, it may be employed as a fragrance intermediate or specialty aroma chemical used in coatings/inks and adhesives to impart scent; its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1288.72
methanol	988.97
isopropanol	918.34
water	0.43
ethyl acetate	2124.5
n-propanol	1051.86
acetone	1677.43
n-butanol	1173.42
acetonitrile	989.73
DMF	1903.32
toluene	1651.28
isobutanol	782.48
1,4-dioxane	2761.0
methyl acetate	1178.45
THF	3699.72
2-butanone	1561.21
n-pentanol	520.16
sec-butanol	753.38
n-hexane	183.26
ethylene glycol	78.88
NMP	1597.72
cyclohexane	495.91
DMSO	714.17
n-butyl acetate	1510.74
n-octanol	254.63
chloroform	3392.74
n-propyl acetate	762.47
acetic acid	694.84
dichloromethane	2943.96
cyclohexanone	2333.08
propylene glycol	155.82
isopropyl acetate	1399.83
DMAc	1441.21
2-ethoxyethanol	576.24
isopentanol	1016.1
n-heptane	95.96
ethyl formate	722.44
1,2-dichloroethane	2073.05
n-hexanol	988.0
2-methoxyethanol	1262.45
isobutyl acetate	569.99
tetrachloromethane	515.35
n-pentyl acetate	592.78
transcutol	4033.91
n-heptanol	289.85
ethylbenzene	495.81
MIBK	965.33
2-propoxyethanol	1417.79
tert-butanol	1093.63
MTBE	1909.16
2-butoxyethanol	565.56
propionic acid	530.66
o-xylene	631.89
formic acid	187.23
diethyl ether	2618.36
m-xylene	911.43
p-xylene	569.0
chlorobenzene	1418.03
dimethyl carbonate	509.96
n-octane	28.46
formamide	331.26
cyclopentanone	2136.06
2-pentanone	1775.01
anisole	928.1
cyclopentyl methyl ether	2048.66
gamma-butyrolactone	1911.71
1-methoxy-2-propanol	1012.57
pyridine	1948.74
3-pentanone	1212.13
furfural	1415.21
n-dodecane	18.83
diethylene glycol	601.91
diisopropyl ether	701.22
tert-amyl alcohol	846.2
acetylacetone	1493.41
n-hexadecane	23.45
acetophenone	629.58
methyl propionate	1351.57
isopentyl acetate	1371.94
trichloroethylene	3531.5
n-nonanol	239.66
cyclohexanol	1110.75
benzyl alcohol	520.58
2-ethylhexanol	515.44
isooctanol	240.35
dipropyl ether	843.6
1,2-dichlorobenzene	1087.91
ethyl lactate	241.53
propylene carbonate	1060.97
n-methylformamide	702.52
2-pentanol	774.03
n-pentane	218.47
1-propoxy-2-propanol	977.36
1-methoxy-2-propyl acetate	1502.3
2-(2-methoxypropoxy) propanol	605.13
mesitylene	509.2
ε-caprolactone	1767.72
p-cymene	276.11
epichlorohydrin	2655.14
1,1,1-trichloroethane	1949.98
2-aminoethanol	264.92
morpholine-4-carbaldehyde	1845.77
sulfolane	1423.81
2,2,4-trimethylpentane	103.94
2-methyltetrahydrofuran	3087.59
n-hexyl acetate	863.54
isooctane	89.32
2-(2-butoxyethoxy)ethanol	903.86
sec-butyl acetate	672.91
tert-butyl acetate	1374.36
decalin	153.67
glycerin	202.17
diglyme	1703.72
acrylic acid	393.99
isopropyl myristate	278.68
n-butyric acid	1157.11
acetyl acetate	1029.42
di(2-ethylhexyl) phthalate	256.27
ethyl propionate	749.78
nitromethane	1132.84
1,2-diethoxyethane	1595.93
benzonitrile	832.12
trioctyl phosphate	167.95
1-bromopropane	1558.26
gamma-valerolactone	2601.35
n-decanol	161.95
triethyl phosphate	295.08
4-methyl-2-pentanol	437.67
propionitrile	999.95
vinylene carbonate	992.29
1,1,2-trichlorotrifluoroethane	1036.84
DMS	715.31
cumene	290.3
2-octanol	185.2
2-hexanone	727.85
octyl acetate	340.95
limonene	452.77
1,2-dimethoxyethane	1344.4
ethyl orthosilicate	329.65
tributyl phosphate	254.33
diacetone alcohol	895.78
N,N-dimethylaniline	548.75
acrylonitrile	932.14
aniline	1194.58
1,3-propanediol	529.73
bromobenzene	1657.25
dibromomethane	1942.47
1,1,2,2-tetrachloroethane	2586.28
2-methyl-cyclohexyl acetate	589.38
tetrabutyl urea	278.3
diisobutyl methanol	275.23
2-phenylethanol	739.65
styrene	649.65
dioctyl adipate	387.46
dimethyl sulfate	547.21
ethyl butyrate	799.95
methyl lactate	335.49
butyl lactate	376.08
diethyl carbonate	481.91
propanediol butyl ether	414.15
triethyl orthoformate	545.71
p-tert-butyltoluene	292.99
methyl 4-tert-butylbenzoate	519.23
morpholine	3307.62
tert-butylamine	849.32
n-dodecanol	113.34
dimethoxymethane	1762.89
ethylene carbonate	932.17
cyrene	421.93
2-ethoxyethyl acetate	969.63
2-ethylhexyl acetate	1089.51
1,2,4-trichlorobenzene	1197.37
4-methylpyridine	2449.86
dibutyl ether	530.11
2,6-dimethyl-4-heptanol	275.23
DEF	1799.51
dimethyl isosorbide	1103.7
tetrachloroethylene	1606.71
eugenol	439.14
triacetin	642.82
span 80	479.62
1,4-butanediol	126.97
1,1-dichloroethane	2128.69
2-methyl-1-pentanol	526.16
methyl formate	492.69
2-methyl-1-butanol	889.93
n-decane	38.72
butyronitrile	1250.49
3,7-dimethyl-1-octanol	330.63
1-chlorooctane	233.81
1-chlorotetradecane	75.61
n-nonane	36.19
undecane	25.86
tert-butylcyclohexane	129.62
cyclooctane	149.23
cyclopentanol	782.76
tetrahydropyran	3649.96
tert-amyl methyl ether	1132.64
2,5,8-trioxanonane	959.38
1-hexene	605.09
2-isopropoxyethanol	458.02
2,2,2-trifluoroethanol	215.27
methyl butyrate	892.63

Scent© AI