Molecular formula
C12H22O2

SMILES
CCOC(=O)C1C(CCCC1(C)C)C

Fragrance
Fruity	92.82%
Floral	79.63%
Rose	59.74%
Herbal	58.52%
Woody	51.08%
Apple	47.75%
Berry	40.05%
Spicy	37.76%
Sweet	36.62%
Mint	33.86%

 

Flavor
Fruity	65.75%
Sweet	53.46%
Herbal	46.85%
Fruit	44.76%
Bitter	35.09%
Tropical	34.54%
Balsam	32.47%
Raspberry	31.87%
Berry	28.89%
Citrus	27.9%

 

Odor impact est.
High

XLogP3-AA
3.8

pKa est.
7.65 (neutral)

Molecular weight
198.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
223°C

Flash point

• 102.3 ˚C est.

• SCHEMBL812446
• DTXSID40860281
• TUEUDXZEBRMJEV-UHFFFAOYSA-N
• ethyl 2,2,6-trimethylcyclohexylcarboxylate
• NS00009534
• ETHYL 2,2,6-TRIMETHYLCYCLOHEXANE-1-CARBOXYLATE

Ethyl 2,2,6-trimethylcyclohexane-1-carboxylate is commonly used as a fragrance ingredient in perfumery and may also find use in cosmetics and personal care products as a scent component or fixative. It may serve as an intermediate in the synthesis of other aroma compounds, and in some contexts may be evaluated as a flavor/aroma ingredient. In polymer and coating applications, the ester can function as a plasticizer or processing aid, and may be used as a solvent or processing aid for certain resins, coatings, and inks. Where applicable, its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2068.48
methanol	2658.4
isopropanol	2261.8
water	2.84
ethyl acetate	948.7
n-propanol	1802.62
acetone	1441.47
n-butanol	1556.28
acetonitrile	1911.82
DMF	1386.45
toluene	939.42
isobutanol	1423.94
1,4-dioxane	2986.28
methyl acetate	1008.23
THF	3867.92
2-butanone	1165.38
n-pentanol	966.07
sec-butanol	1586.14
n-hexane	311.22
ethylene glycol	237.12
NMP	1277.99
cyclohexane	796.94
DMSO	774.41
n-butyl acetate	947.15
n-octanol	633.01
chloroform	5329.11
n-propyl acetate	581.01
acetic acid	1231.0
dichloromethane	3411.56
cyclohexanone	2405.23
propylene glycol	455.2
isopropyl acetate	618.13
DMAc	668.57
2-ethoxyethanol	667.86
isopentanol	1130.04
n-heptane	207.01
ethyl formate	925.33
1,2-dichloroethane	1757.18
n-hexanol	1489.83
2-methoxyethanol	1324.62
isobutyl acetate	420.98
tetrachloromethane	792.77
n-pentyl acetate	593.15
transcutol	1282.89
n-heptanol	554.96
ethylbenzene	426.42
MIBK	591.53
2-propoxyethanol	1281.05
tert-butanol	1851.12
MTBE	1213.39
2-butoxyethanol	565.73
propionic acid	989.88
o-xylene	488.56
formic acid	378.81
diethyl ether	1259.47
m-xylene	599.68
p-xylene	589.01
chlorobenzene	1410.08
dimethyl carbonate	272.17
n-octane	86.46
formamide	411.09
cyclopentanone	2186.06
2-pentanone	942.45
anisole	607.77
cyclopentyl methyl ether	1411.83
gamma-butyrolactone	2264.86
1-methoxy-2-propanol	1039.0
pyridine	2110.56
3-pentanone	616.31
furfural	1464.63
n-dodecane	71.57
diethylene glycol	685.47
diisopropyl ether	367.2
tert-amyl alcohol	1243.77
acetylacetone	741.98
n-hexadecane	83.54
acetophenone	499.68
methyl propionate	678.44
isopentyl acetate	853.81
trichloroethylene	3223.07
n-nonanol	502.74
cyclohexanol	1903.72
benzyl alcohol	625.47
2-ethylhexanol	676.07
isooctanol	444.76
dipropyl ether	565.24
1,2-dichlorobenzene	966.36
ethyl lactate	262.84
propylene carbonate	1303.77
n-methylformamide	959.5
2-pentanol	1043.8
n-pentane	322.19
1-propoxy-2-propanol	857.54
1-methoxy-2-propyl acetate	643.33
2-(2-methoxypropoxy) propanol	433.5
mesitylene	384.25
ε-caprolactone	1729.79
p-cymene	315.85
epichlorohydrin	2232.06
1,1,1-trichloroethane	2008.81
2-aminoethanol	624.23
morpholine-4-carbaldehyde	1155.45
sulfolane	1614.61
2,2,4-trimethylpentane	126.02
2-methyltetrahydrofuran	2565.36
n-hexyl acetate	895.2
isooctane	107.93
2-(2-butoxyethoxy)ethanol	627.51
sec-butyl acetate	374.82
tert-butyl acetate	597.42
decalin	198.84
glycerin	422.77
diglyme	952.45
acrylic acid	766.76
isopropyl myristate	315.29
n-butyric acid	1565.08
acetyl acetate	549.5
di(2-ethylhexyl) phthalate	284.47
ethyl propionate	448.15
nitromethane	1377.61
1,2-diethoxyethane	644.63
benzonitrile	1169.9
trioctyl phosphate	231.79
1-bromopropane	1477.93
gamma-valerolactone	2211.02
n-decanol	352.7
triethyl phosphate	223.57
4-methyl-2-pentanol	516.81
propionitrile	1664.02
vinylene carbonate	1188.62
1,1,2-trichlorotrifluoroethane	1042.21
DMS	446.93
cumene	292.39
2-octanol	466.39
2-hexanone	676.7
octyl acetate	412.02
limonene	470.3
1,2-dimethoxyethane	1255.31
ethyl orthosilicate	228.81
tributyl phosphate	263.13
diacetone alcohol	639.36
N,N-dimethylaniline	341.39
acrylonitrile	1556.71
aniline	996.66
1,3-propanediol	943.97
bromobenzene	1468.17
dibromomethane	2572.27
1,1,2,2-tetrachloroethane	2540.0
2-methyl-cyclohexyl acetate	473.02
tetrabutyl urea	317.29
diisobutyl methanol	325.73
2-phenylethanol	775.61
styrene	523.23
dioctyl adipate	375.8
dimethyl sulfate	346.99
ethyl butyrate	504.91
methyl lactate	320.31
butyl lactate	419.44
diethyl carbonate	351.99
propanediol butyl ether	610.16
triethyl orthoformate	367.61
p-tert-butyltoluene	312.07
methyl 4-tert-butylbenzoate	485.95
morpholine	3159.2
tert-butylamine	1281.74
n-dodecanol	258.33
dimethoxymethane	904.14
ethylene carbonate	1084.99
cyrene	417.99
2-ethoxyethyl acetate	540.12
2-ethylhexyl acetate	639.41
1,2,4-trichlorobenzene	1000.29
4-methylpyridine	1939.18
dibutyl ether	514.98
2,6-dimethyl-4-heptanol	325.73
DEF	728.73
dimethyl isosorbide	769.92
tetrachloroethylene	1659.63
eugenol	422.52
triacetin	480.87
span 80	523.97
1,4-butanediol	367.57
1,1-dichloroethane	2397.34
2-methyl-1-pentanol	719.55
methyl formate	766.41
2-methyl-1-butanol	1056.88
n-decane	127.1
butyronitrile	1964.24
3,7-dimethyl-1-octanol	507.18
1-chlorooctane	424.1
1-chlorotetradecane	155.49
n-nonane	133.71
undecane	92.57
tert-butylcyclohexane	159.72
cyclooctane	201.25
cyclopentanol	1938.01
tetrahydropyran	3564.45
tert-amyl methyl ether	675.03
2,5,8-trioxanonane	609.22
1-hexene	774.46
2-isopropoxyethanol	479.61
2,2,2-trifluoroethanol	365.95
methyl butyrate	649.47

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