Molecular formula
C11H16O

SMILES
CC=CC(=O)C1=C(CCCC1)C

Fragrance
Fruity	89.79%
Floral	51.95%
Sweet	43.07%
Apple	41.89%
Rose	41.67%
Berry	40.86%
Mint	40.73%
Caramellic	39.64%
Herbal	39.36%
Plum	36.78%

 

Flavor
Sweet	37.77%
Spicy	29.66%
Phenolic	28.84%
Honey	27.05%
Minty	23.32%
Herbal	23.15%
Maple syrup	22.77%
Tobacco	22.66%
Licorice	22.27%
Caramel	22.12%

 

Odor impact est.
High

XLogP3-AA
2.6

pKa est.
8.81 (weak base)

Molecular weight
164.24 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
260°C

Flash point

• 99.47 ˚C est.

• VIJRDZBJTYNELH-UHFFFAOYSA-N
• 2-methyl-1-[but-2-enoyl]-cyclohex-1-ene

Chemical name: 2-Methyl-1-[but-2-enoyl]-cyclohex-1-ene; CAS number: In perfumery/fragrance contexts, this compound may be used as an odor-active moiety or fragrance intermediate, in cosmetics/personal care as a fragrance ingredient or formulation modifier, in coatings and inks as a specialty building block for resin synthesis or surface coatings, in polymers/plastics as a monomer modifier or additive for specialty polymers, in industrial manufacturing as an intermediate for organic synthesis enabling subsequent functionalization, and in adhesives to introduce unsaturation or cyclic character into adhesive formulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1139.0
methanol	993.67
isopropanol	1250.27
water	0.93
ethyl acetate	752.31
n-propanol	1097.72
acetone	1104.44
n-butanol	1141.2
acetonitrile	1618.99
DMF	1590.66
toluene	794.89
isobutanol	929.55
1,4-dioxane	1573.27
methyl acetate	840.31
THF	1596.17
2-butanone	1049.24
n-pentanol	674.17
sec-butanol	1014.37
n-hexane	262.61
ethylene glycol	109.87
NMP	1143.34
cyclohexane	531.1
DMSO	717.79
n-butyl acetate	899.99
n-octanol	489.66
chloroform	4411.37
n-propyl acetate	533.11
acetic acid	745.54
dichloromethane	3317.71
cyclohexanone	1841.11
propylene glycol	191.76
isopropyl acetate	446.9
DMAc	729.54
2-ethoxyethanol	437.86
isopentanol	836.64
n-heptane	176.94
ethyl formate	742.99
1,2-dichloroethane	1791.13
n-hexanol	903.3
2-methoxyethanol	792.36
isobutyl acetate	335.95
tetrachloromethane	636.94
n-pentyl acetate	507.66
transcutol	1438.66
n-heptanol	439.44
ethylbenzene	417.31
MIBK	471.17
2-propoxyethanol	770.23
tert-butanol	1050.89
MTBE	792.46
2-butoxyethanol	488.57
propionic acid	668.65
o-xylene	401.35
formic acid	149.14
diethyl ether	919.63
m-xylene	466.87
p-xylene	489.56
chlorobenzene	1173.71
dimethyl carbonate	239.45
n-octane	93.37
formamide	281.85
cyclopentanone	1479.03
2-pentanone	829.04
anisole	573.06
cyclopentyl methyl ether	809.07
gamma-butyrolactone	1557.28
1-methoxy-2-propanol	657.69
pyridine	1897.1
3-pentanone	560.2
furfural	1147.48
n-dodecane	72.57
diethylene glycol	404.99
diisopropyl ether	272.74
tert-amyl alcohol	808.34
acetylacetone	590.77
n-hexadecane	84.72
acetophenone	493.58
methyl propionate	549.02
isopentyl acetate	723.3
trichloroethylene	3237.41
n-nonanol	394.06
cyclohexanol	1122.16
benzyl alcohol	510.11
2-ethylhexanol	500.68
isooctanol	348.99
dipropyl ether	475.62
1,2-dichlorobenzene	870.33
ethyl lactate	227.4
propylene carbonate	923.92
n-methylformamide	742.16
2-pentanol	728.77
n-pentane	254.09
1-propoxy-2-propanol	642.34
1-methoxy-2-propyl acetate	500.42
2-(2-methoxypropoxy) propanol	390.85
mesitylene	316.68
ε-caprolactone	1220.26
p-cymene	256.03
epichlorohydrin	1583.41
1,1,1-trichloroethane	1817.23
2-aminoethanol	313.06
morpholine-4-carbaldehyde	922.56
sulfolane	1209.49
2,2,4-trimethylpentane	98.08
2-methyltetrahydrofuran	1331.82
n-hexyl acetate	750.37
isooctane	93.74
2-(2-butoxyethoxy)ethanol	566.29
sec-butyl acetate	326.22
tert-butyl acetate	431.92
decalin	173.93
glycerin	215.41
diglyme	917.96
acrylic acid	519.2
isopropyl myristate	285.76
n-butyric acid	1074.68
acetyl acetate	408.87
di(2-ethylhexyl) phthalate	220.76
ethyl propionate	409.3
nitromethane	1065.01
1,2-diethoxyethane	679.86
benzonitrile	1033.61
trioctyl phosphate	184.07
1-bromopropane	1427.55
gamma-valerolactone	1443.61
n-decanol	283.57
triethyl phosphate	216.08
4-methyl-2-pentanol	354.61
propionitrile	1406.58
vinylene carbonate	925.41
1,1,2-trichlorotrifluoroethane	798.82
DMS	394.4
cumene	276.49
2-octanol	361.05
2-hexanone	613.97
octyl acetate	363.66
limonene	372.69
1,2-dimethoxyethane	960.57
ethyl orthosilicate	211.89
tributyl phosphate	218.42
diacetone alcohol	471.47
N,N-dimethylaniline	360.78
acrylonitrile	1332.86
aniline	842.22
1,3-propanediol	515.98
bromobenzene	1306.69
dibromomethane	2538.93
1,1,2,2-tetrachloroethane	2415.68
2-methyl-cyclohexyl acetate	358.77
tetrabutyl urea	291.68
diisobutyl methanol	271.62
2-phenylethanol	529.58
styrene	545.05
dioctyl adipate	335.09
dimethyl sulfate	308.18
ethyl butyrate	493.31
methyl lactate	248.14
butyl lactate	359.67
diethyl carbonate	357.53
propanediol butyl ether	487.66
triethyl orthoformate	322.97
p-tert-butyltoluene	242.25
methyl 4-tert-butylbenzoate	407.29
morpholine	1772.78
tert-butylamine	815.29
n-dodecanol	218.66
dimethoxymethane	662.6
ethylene carbonate	780.76
cyrene	321.89
2-ethoxyethyl acetate	499.31
2-ethylhexyl acetate	553.97
1,2,4-trichlorobenzene	921.98
4-methylpyridine	1738.52
dibutyl ether	533.33
2,6-dimethyl-4-heptanol	271.62
DEF	794.43
dimethyl isosorbide	615.39
tetrachloroethylene	1505.16
eugenol	393.37
triacetin	443.83
span 80	400.32
1,4-butanediol	219.41
1,1-dichloroethane	2252.83
2-methyl-1-pentanol	578.77
methyl formate	543.05
2-methyl-1-butanol	856.4
n-decane	124.81
butyronitrile	1590.5
3,7-dimethyl-1-octanol	402.21
1-chlorooctane	422.8
1-chlorotetradecane	164.63
n-nonane	133.79
undecane	92.83
tert-butylcyclohexane	149.65
cyclooctane	145.59
cyclopentanol	996.14
tetrahydropyran	1878.13
tert-amyl methyl ether	494.86
2,5,8-trioxanonane	581.39
1-hexene	693.6
2-isopropoxyethanol	329.87
2,2,2-trifluoroethanol	213.0
methyl butyrate	649.2

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