Molecular formula
C13H20O

SMILES
C/C=C/C(=O)[C@@H]1C(=C)CCCC1(C)C

Fragrance
Fruity	93.19%
Floral	77.54%
Green	69.47%
Rose	64.69%
Woody	63.0%
Apple	56.04%
Sweet	50.78%
Berry	47.84%
Tobacco	47.54%
Mint	47.43%

 

Flavor
Minty	29.82%
Woody	28.4%
Sweet	28.22%
Spicy	27.78%
Spice	25.53%
Phenolic	23.06%
Herbal	22.78%
Mint	21.8%
Fruity	21.71%
Basil	20.99%

 

Odor impact est.
High

XLogP3-AA
3.5

pKa est.
7.86 (neutral)

Molecular weight
192.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
255°C

Flash point

• 112.47 ˚C est.

• SCHEMBL11817230

The compound (E)-1-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]but-2-en-1-one is commonly evaluated as an aroma chemical and fragrance intermediate in perfumery; may be used as a scent ingredient in cosmetics and personal care products; may function as an odorant in household formulations; can serve as a building block in industrial manufacturing of fragrance compounds; and may be employed in coatings/inks as a fragrance additive, subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1837.68
methanol	2155.46
isopropanol	1920.46
water	1.08
ethyl acetate	921.96
n-propanol	1520.91
acetone	1276.99
n-butanol	1599.04
acetonitrile	1530.26
DMF	1540.31
toluene	1071.66
isobutanol	1282.8
1,4-dioxane	2294.25
methyl acetate	847.87
THF	4080.1
2-butanone	1069.68
n-pentanol	947.12
sec-butanol	1300.94
n-hexane	399.77
ethylene glycol	167.24
NMP	1211.8
cyclohexane	867.65
DMSO	684.02
n-butyl acetate	988.28
n-octanol	574.86
chloroform	3878.43
n-propyl acetate	502.02
acetic acid	784.92
dichloromethane	2489.5
cyclohexanone	2030.09
propylene glycol	332.36
isopropyl acetate	612.44
DMAc	675.91
2-ethoxyethanol	523.61
isopentanol	1197.33
n-heptane	307.21
ethyl formate	806.03
1,2-dichloroethane	1368.99
n-hexanol	1699.38
2-methoxyethanol	1137.6
isobutyl acetate	376.14
tetrachloromethane	635.48
n-pentyl acetate	518.66
transcutol	1429.73
n-heptanol	540.96
ethylbenzene	439.87
MIBK	662.4
2-propoxyethanol	1290.27
tert-butanol	1644.17
MTBE	1187.54
2-butoxyethanol	542.27
propionic acid	696.06
o-xylene	479.41
formic acid	245.5
diethyl ether	1401.1
m-xylene	720.81
p-xylene	525.32
chlorobenzene	1165.87
dimethyl carbonate	290.03
n-octane	100.71
formamide	307.55
cyclopentanone	1989.62
2-pentanone	1031.01
anisole	570.88
cyclopentyl methyl ether	1569.38
gamma-butyrolactone	1875.67
1-methoxy-2-propanol	1017.47
pyridine	1701.42
3-pentanone	641.79
furfural	1136.95
n-dodecane	68.0
diethylene glycol	611.58
diisopropyl ether	418.94
tert-amyl alcohol	1035.56
acetylacetone	708.22
n-hexadecane	79.32
acetophenone	434.17
methyl propionate	636.68
isopentyl acetate	861.69
trichloroethylene	2425.75
n-nonanol	450.81
cyclohexanol	1645.27
benzyl alcohol	550.75
2-ethylhexanol	713.85
isooctanol	410.14
dipropyl ether	726.21
1,2-dichlorobenzene	786.04
ethyl lactate	237.07
propylene carbonate	1097.87
n-methylformamide	799.15
2-pentanol	1116.8
n-pentane	463.06
1-propoxy-2-propanol	956.48
1-methoxy-2-propyl acetate	701.4
2-(2-methoxypropoxy) propanol	437.69
mesitylene	426.82
ε-caprolactone	1406.16
p-cymene	312.29
epichlorohydrin	1872.33
1,1,1-trichloroethane	1557.04
2-aminoethanol	486.56
morpholine-4-carbaldehyde	1079.7
sulfolane	1221.91
2,2,4-trimethylpentane	134.87
2-methyltetrahydrofuran	2439.6
n-hexyl acetate	804.89
isooctane	142.48
2-(2-butoxyethoxy)ethanol	646.51
sec-butyl acetate	352.58
tert-butyl acetate	609.11
decalin	194.26
glycerin	320.9
diglyme	951.95
acrylic acid	505.32
isopropyl myristate	288.26
n-butyric acid	1218.78
acetyl acetate	477.9
di(2-ethylhexyl) phthalate	260.1
ethyl propionate	427.06
nitromethane	949.67
1,2-diethoxyethane	704.41
benzonitrile	924.48
trioctyl phosphate	201.5
1-bromopropane	1362.33
gamma-valerolactone	1848.96
n-decanol	322.13
triethyl phosphate	211.0
4-methyl-2-pentanol	575.49
propionitrile	1390.5
vinylene carbonate	949.97
1,1,2-trichlorotrifluoroethane	831.42
DMS	411.87
cumene	277.15
2-octanol	419.02
2-hexanone	653.43
octyl acetate	376.29
limonene	489.44
1,2-dimethoxyethane	1028.69
ethyl orthosilicate	220.85
tributyl phosphate	240.35
diacetone alcohol	618.76
N,N-dimethylaniline	361.76
acrylonitrile	1197.43
aniline	983.63
1,3-propanediol	750.22
bromobenzene	1256.23
dibromomethane	2029.18
1,1,2,2-tetrachloroethane	1895.59
2-methyl-cyclohexyl acetate	439.84
tetrabutyl urea	299.09
diisobutyl methanol	354.61
2-phenylethanol	724.77
styrene	509.05
dioctyl adipate	339.71
dimethyl sulfate	325.97
ethyl butyrate	528.96
methyl lactate	298.93
butyl lactate	391.66
diethyl carbonate	344.59
propanediol butyl ether	569.27
triethyl orthoformate	364.85
p-tert-butyltoluene	317.07
methyl 4-tert-butylbenzoate	423.7
morpholine	2723.87
tert-butylamine	1314.48
n-dodecanol	236.62
dimethoxymethane	1073.09
ethylene carbonate	871.58
cyrene	379.58
2-ethoxyethyl acetate	510.64
2-ethylhexyl acetate	652.37
1,2,4-trichlorobenzene	797.91
4-methylpyridine	1743.06
dibutyl ether	579.93
2,6-dimethyl-4-heptanol	354.61
DEF	781.79
dimethyl isosorbide	783.76
tetrachloroethylene	1203.41
eugenol	391.53
triacetin	411.47
span 80	478.14
1,4-butanediol	280.3
1,1-dichloroethane	1834.39
2-methyl-1-pentanol	708.26
methyl formate	685.99
2-methyl-1-butanol	1110.38
n-decane	127.08
butyronitrile	1732.8
3,7-dimethyl-1-octanol	500.49
1-chlorooctane	411.87
1-chlorotetradecane	150.16
n-nonane	138.58
undecane	91.1
tert-butylcyclohexane	164.43
cyclooctane	252.88
cyclopentanol	1595.4
tetrahydropyran	3261.04
tert-amyl methyl ether	696.68
2,5,8-trioxanonane	618.53
1-hexene	877.55
2-isopropoxyethanol	390.16
2,2,2-trifluoroethanol	233.38
methyl butyrate	614.73

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