Molecular formula
C13H20O2

SMILES
CC1=C(C(CCC1)(C)C)/C=C/OC(=O)C

Fragrance
Fruity	83.97%
Floral	71.86%
Woody	67.51%
Sweet	65.91%
Berry	55.34%
Tropical	44.65%
Rose	42.16%
Green	42.04%
Herbal	41.3%
Spicy	39.0%

 

Flavor
Woody	74.65%
Floral	66.96%
Sweet	64.59%
Violet	45.84%
Orris	42.44%
Tropical	40.39%
Powdery	39.47%
Raspberry	37.97%
Dry	35.0%
Fruity	33.72%

 

Odor impact est.
Medium

XLogP3-AA
3.0

pKa est.
8.96 (weak base)

Molecular weight
208.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
253°C

Flash point

• 128.0 ˚C est.

• ghl.PD_Mitscher_leg0.23
• Q63399041
• [(E)-2-(2,6,6-trimethyl-1-cyclohexenyl)ethenyl] acetate
• (E)-2-(2,6,6-trimethyl-1-cyclohexen-1-yl)ethenyl acetate
• (E)-2-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-ETHENE-1-YL ACETATE

[(E)-2-(2,6,6-trimethyl-1-cyclohexenyl)ethenyl] acetate is commonly considered a fragrance/odorant ingredient in perfumery and cosmetics, where it can function as a fragrance component or fixative; it is also evaluated as an organic synthesis intermediate for aroma-related compounds and for specialty polymers; it may be used in household-product formulations as a fragrance additive; in coatings and inks, it can serve as an odorant modifier; and in polymer and plastics applications, it may act as a specialty monomer or reactive intermediate for polymer synthesis, subject to formulation limits and local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	367.98
methanol	342.27
isopropanol	221.64
water	0.54
ethyl acetate	419.38
n-propanol	343.13
acetone	426.93
n-butanol	297.96
acetonitrile	239.02
DMF	1275.1
toluene	400.16
isobutanol	224.01
1,4-dioxane	815.03
methyl acetate	359.61
THF	1133.31
2-butanone	498.11
n-pentanol	165.74
sec-butanol	246.47
n-hexane	51.6
ethylene glycol	78.05
NMP	1084.4
cyclohexane	74.43
DMSO	616.92
n-butyl acetate	245.36
n-octanol	48.09
chloroform	1174.02
n-propyl acetate	163.63
acetic acid	295.08
dichloromethane	899.46
cyclohexanone	594.28
propylene glycol	123.34
isopropyl acetate	272.97
DMAc	1149.48
2-ethoxyethanol	321.95
isopentanol	247.18
n-heptane	12.67
ethyl formate	190.37
1,2-dichloroethane	783.3
n-hexanol	205.58
2-methoxyethanol	624.95
isobutyl acetate	115.4
tetrachloromethane	151.2
n-pentyl acetate	106.46
transcutol	1347.61
n-heptanol	63.87
ethylbenzene	147.51
MIBK	238.03
2-propoxyethanol	484.37
tert-butanol	313.68
MTBE	487.56
2-butoxyethanol	178.15
propionic acid	232.13
o-xylene	202.53
formic acid	182.72
diethyl ether	547.54
m-xylene	236.5
p-xylene	159.2
chlorobenzene	431.63
dimethyl carbonate	227.38
n-octane	3.18
formamide	313.44
cyclopentanone	695.54
2-pentanone	409.9
anisole	388.8
cyclopentyl methyl ether	597.34
gamma-butyrolactone	670.76
1-methoxy-2-propanol	484.84
pyridine	720.02
3-pentanone	396.2
furfural	648.17
n-dodecane	1.93
diethylene glycol	328.12
diisopropyl ether	135.0
tert-amyl alcohol	316.87
acetylacetone	415.32
n-hexadecane	2.44
acetophenone	266.8
methyl propionate	427.24
isopentyl acetate	250.74
trichloroethylene	1381.44
n-nonanol	46.87
cyclohexanol	261.97
benzyl alcohol	210.99
2-ethylhexanol	102.41
isooctanol	50.29
dipropyl ether	155.91
1,2-dichlorobenzene	374.21
ethyl lactate	92.49
propylene carbonate	309.01
n-methylformamide	477.85
2-pentanol	190.91
n-pentane	44.74
1-propoxy-2-propanol	271.16
1-methoxy-2-propyl acetate	410.05
2-(2-methoxypropoxy) propanol	225.93
mesitylene	122.73
ε-caprolactone	518.19
p-cymene	62.91
epichlorohydrin	1147.14
1,1,1-trichloroethane	637.17
2-aminoethanol	199.64
morpholine-4-carbaldehyde	981.07
sulfolane	770.89
2,2,4-trimethylpentane	25.19
2-methyltetrahydrofuran	827.62
n-hexyl acetate	161.12
isooctane	15.89
2-(2-butoxyethoxy)ethanol	317.22
sec-butyl acetate	155.33
tert-butyl acetate	338.54
decalin	34.7
glycerin	183.94
diglyme	600.42
acrylic acid	214.65
isopropyl myristate	53.5
n-butyric acid	306.72
acetyl acetate	238.63
di(2-ethylhexyl) phthalate	72.11
ethyl propionate	204.4
nitromethane	547.12
1,2-diethoxyethane	308.62
benzonitrile	225.7
trioctyl phosphate	42.33
1-bromopropane	483.27
gamma-valerolactone	1003.69
n-decanol	31.14
triethyl phosphate	99.87
4-methyl-2-pentanol	115.77
propionitrile	267.65
vinylene carbonate	301.77
1,1,2-trichlorotrifluoroethane	687.89
DMS	260.88
cumene	90.6
2-octanol	33.03
2-hexanone	191.45
octyl acetate	72.71
limonene	98.84
1,2-dimethoxyethane	543.61
ethyl orthosilicate	103.91
tributyl phosphate	66.87
diacetone alcohol	323.77
N,N-dimethylaniline	245.17
acrylonitrile	321.41
aniline	447.61
1,3-propanediol	255.46
bromobenzene	451.4
dibromomethane	642.23
1,1,2,2-tetrachloroethane	1189.82
2-methyl-cyclohexyl acetate	152.38
tetrabutyl urea	87.38
diisobutyl methanol	53.52
2-phenylethanol	221.82
styrene	200.75
dioctyl adipate	94.08
dimethyl sulfate	376.64
ethyl butyrate	163.06
methyl lactate	195.37
butyl lactate	108.77
diethyl carbonate	116.15
propanediol butyl ether	150.91
triethyl orthoformate	143.78
p-tert-butyltoluene	70.81
methyl 4-tert-butylbenzoate	169.69
morpholine	1095.04
tert-butylamine	219.7
n-dodecanol	21.02
dimethoxymethane	715.16
ethylene carbonate	253.32
cyrene	214.43
2-ethoxyethyl acetate	239.85
2-ethylhexyl acetate	211.51
1,2,4-trichlorobenzene	488.05
4-methylpyridine	763.75
dibutyl ether	77.02
2,6-dimethyl-4-heptanol	53.52
DEF	560.4
dimethyl isosorbide	420.44
tetrachloroethylene	655.14
eugenol	166.51
triacetin	175.36
span 80	154.7
1,4-butanediol	78.24
1,1-dichloroethane	655.15
2-methyl-1-pentanol	169.17
methyl formate	284.81
2-methyl-1-butanol	262.79
n-decane	3.95
butyronitrile	240.24
3,7-dimethyl-1-octanol	63.8
1-chlorooctane	34.13
1-chlorotetradecane	11.04
n-nonane	3.64
undecane	2.65
tert-butylcyclohexane	29.86
cyclooctane	20.98
cyclopentanol	266.03
tetrahydropyran	810.6
tert-amyl methyl ether	411.59
2,5,8-trioxanonane	361.69
1-hexene	160.03
2-isopropoxyethanol	210.89
2,2,2-trifluoroethanol	140.3
methyl butyrate	229.19

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