Molecular formula
C13H20O2

SMILES
CCOC(=O)C1CC(CC=C1C)C(=C)C

Fragrance
Fruity	89.86%
Herbal	73.88%
Spicy	58.21%
Sweet	58.03%
Floral	57.29%
Mint	52.98%
Green	52.0%
Woody	45.18%
Rose	40.99%
Apple	36.87%

 

Flavor
Minty	34.79%
Fruity	27.88%
Herbal	26.93%
Fresh	25.65%
Mint	25.44%
Floral	21.26%
Basil	20.84%
Spice	20.34%
Peppermint	20.25%
Tropical	20.22%

 

Odor impact est.
High

XLogP3-AA
3.1

pKa est.
7.84 (neutral)

Molecular weight
208.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
248°C

Flash point

• 112.0 ˚C est.

Ethyl 2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carboxylate is primarily used as a specialty ester and synthetic intermediate in fragrance chemistry, often serving as a raw material for aroma notes in perfumery and as a precursor for fragrance ingredients. It is also evaluated for cosmetic and personal care formulations as a fragrance component or note precursor. In flavor chemistry, it may be explored as an aroma-related precursor in flavor and odor applications. The compound can function as a solvent or odor component in coatings, inks, and household products, and may be employed as an intermediate in polymer or plastics formulations to introduce specific odor characteristics or to participate in further synthesis. Additionally, it is used as an intermediate in organic synthesis for the preparation of other aroma-related esters, subject to regulatory and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1575.82
methanol	1350.44
isopropanol	1857.2
water	0.69
ethyl acetate	991.33
n-propanol	1362.3
acetone	963.28
n-butanol	1292.3
acetonitrile	896.96
DMF	1354.38
toluene	667.22
isobutanol	1045.75
1,4-dioxane	2265.62
methyl acetate	736.83
THF	2071.95
2-butanone	878.23
n-pentanol	681.42
sec-butanol	1255.68
n-hexane	56.91
ethylene glycol	118.26
NMP	887.06
cyclohexane	189.55
DMSO	767.06
n-butyl acetate	654.79
n-octanol	276.07
chloroform	3215.3
n-propyl acetate	456.67
acetic acid	708.99
dichloromethane	2375.21
cyclohexanone	1322.19
propylene glycol	305.15
isopropyl acetate	592.76
DMAc	822.4
2-ethoxyethanol	588.4
isopentanol	1006.47
n-heptane	32.06
ethyl formate	546.91
1,2-dichloroethane	1268.9
n-hexanol	765.94
2-methoxyethanol	1121.28
isobutyl acetate	291.74
tetrachloromethane	318.32
n-pentyl acetate	339.33
transcutol	2155.94
n-heptanol	280.8
ethylbenzene	294.66
MIBK	458.56
2-propoxyethanol	877.62
tert-butanol	1735.07
MTBE	1076.64
2-butoxyethanol	434.47
propionic acid	515.08
o-xylene	345.02
formic acid	184.38
diethyl ether	921.45
m-xylene	420.01
p-xylene	384.71
chlorobenzene	788.9
dimethyl carbonate	213.05
n-octane	17.29
formamide	314.98
cyclopentanone	1208.34
2-pentanone	724.08
anisole	545.43
cyclopentyl methyl ether	801.53
gamma-butyrolactone	1180.74
1-methoxy-2-propanol	1011.56
pyridine	1411.54
3-pentanone	442.24
furfural	948.46
n-dodecane	17.74
diethylene glycol	529.53
diisopropyl ether	242.56
tert-amyl alcohol	1168.31
acetylacetone	678.78
n-hexadecane	21.24
acetophenone	407.28
methyl propionate	519.02
isopentyl acetate	601.17
trichloroethylene	2380.51
n-nonanol	239.14
cyclohexanol	1122.16
benzyl alcohol	490.53
2-ethylhexanol	335.72
isooctanol	223.47
dipropyl ether	293.29
1,2-dichlorobenzene	571.8
ethyl lactate	192.39
propylene carbonate	691.58
n-methylformamide	511.94
2-pentanol	855.06
n-pentane	69.37
1-propoxy-2-propanol	632.23
1-methoxy-2-propyl acetate	565.61
2-(2-methoxypropoxy) propanol	433.46
mesitylene	243.03
ε-caprolactone	1018.63
p-cymene	159.35
epichlorohydrin	1610.55
1,1,1-trichloroethane	1310.12
2-aminoethanol	388.12
morpholine-4-carbaldehyde	1066.04
sulfolane	921.69
2,2,4-trimethylpentane	48.65
2-methyltetrahydrofuran	1620.69
n-hexyl acetate	507.11
isooctane	40.64
2-(2-butoxyethoxy)ethanol	641.54
sec-butyl acetate	327.99
tert-butyl acetate	550.56
decalin	74.1
glycerin	328.73
diglyme	1023.68
acrylic acid	362.2
isopropyl myristate	184.29
n-butyric acid	1042.41
acetyl acetate	482.18
di(2-ethylhexyl) phthalate	195.77
ethyl propionate	371.67
nitromethane	892.47
1,2-diethoxyethane	695.13
benzonitrile	646.25
trioctyl phosphate	133.74
1-bromopropane	826.64
gamma-valerolactone	1399.93
n-decanol	172.24
triethyl phosphate	160.8
4-methyl-2-pentanol	412.66
propionitrile	786.92
vinylene carbonate	655.6
1,1,2-trichlorotrifluoroethane	793.41
DMS	343.63
cumene	183.58
2-octanol	206.6
2-hexanone	450.16
octyl acetate	242.01
limonene	236.38
1,2-dimethoxyethane	1037.34
ethyl orthosilicate	161.43
tributyl phosphate	170.88
diacetone alcohol	609.85
N,N-dimethylaniline	308.03
acrylonitrile	700.45
aniline	837.47
1,3-propanediol	735.52
bromobenzene	833.55
dibromomethane	1570.01
1,1,2,2-tetrachloroethane	1923.58
2-methyl-cyclohexyl acetate	311.26
tetrabutyl urea	197.45
diisobutyl methanol	196.52
2-phenylethanol	501.8
styrene	393.03
dioctyl adipate	261.76
dimethyl sulfate	264.24
ethyl butyrate	383.86
methyl lactate	257.03
butyl lactate	273.97
diethyl carbonate	265.11
propanediol butyl ether	479.68
triethyl orthoformate	261.46
p-tert-butyltoluene	161.49
methyl 4-tert-butylbenzoate	355.01
morpholine	2676.53
tert-butylamine	1027.37
n-dodecanol	127.42
dimethoxymethane	733.53
ethylene carbonate	582.74
cyrene	363.43
2-ethoxyethyl acetate	473.7
2-ethylhexyl acetate	426.86
1,2,4-trichlorobenzene	674.82
4-methylpyridine	1484.95
dibutyl ether	318.2
2,6-dimethyl-4-heptanol	196.52
DEF	693.12
dimethyl isosorbide	666.84
tetrachloroethylene	1086.06
eugenol	363.27
triacetin	384.26
span 80	406.93
1,4-butanediol	236.12
1,1-dichloroethane	1580.37
2-methyl-1-pentanol	608.13
methyl formate	380.96
2-methyl-1-butanol	938.65
n-decane	29.71
butyronitrile	992.5
3,7-dimethyl-1-octanol	286.08
1-chlorooctane	166.9
1-chlorotetradecane	66.98
n-nonane	26.26
undecane	22.28
tert-butylcyclohexane	66.18
cyclooctane	41.09
cyclopentanol	963.67
tetrahydropyran	2149.02
tert-amyl methyl ether	564.97
2,5,8-trioxanonane	666.14
1-hexene	294.53
2-isopropoxyethanol	417.53
2,2,2-trifluoroethanol	190.52
methyl butyrate	519.11

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