Molecular formula
C12H22O2

SMILES
CCOC(=O)C(C)(C)CCC=C(C)C

Fragrance
Fruity	82.92%
Floral	67.64%
Citrus	58.58%
Herbal	55.82%
Green	55.49%
Rose	49.44%
Sweet	49.17%
Apple	45.96%
Fresh	44.73%
Tropical	43.28%

 

Flavor
Fruity	73.16%
Green	66.64%
Sweet	62.8%
Rose	48.16%
Floral	46.83%
Tropical	40.31%
Apple	39.32%
Fruit	38.42%
Citrus	38.14%
Bitter	37.4%

 

Odor impact est.
Medium

XLogP3-AA
3.7

pKa est.
9.1 (weak base)

Molecular weight
198.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
215°C

Flash point

• 91.84 ˚C est.

Ethyl 2,2,6-trimethylhept-5-enoate is a specialty vinyl ester commonly used as an intermediate in organic synthesis and as a building block for terpenoid-type compounds. In fragrance and cosmetic industries, it may serve as an odorant or fragrance ingredient, and as an intermediate for more complex aroma esters. In polymers and plastics applications, it can be used as a monomer or as an additive to introduce branching and tailor the mechanical properties of polymers. In coatings and inks, it may participate in polymerization reactions or be used to prepare ester derivatives for coatings and print formulations. It may also be evaluated as an intermediate for synthesizing branched terpene-like esters, with use contingent on regulatory requirements and formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1861.99
methanol	1605.54
isopropanol	2120.26
water	0.96
ethyl acetate	2251.94
n-propanol	1963.84
acetone	1988.13
n-butanol	2321.58
acetonitrile	1862.02
DMF	2205.2
toluene	1945.87
isobutanol	1967.9
1,4-dioxane	2538.1
methyl acetate	1677.05
THF	3056.66
2-butanone	2320.1
n-pentanol	1982.21
sec-butanol	2928.85
n-hexane	1462.31
ethylene glycol	148.17
NMP	2080.08
cyclohexane	1316.29
DMSO	1295.22
n-butyl acetate	2532.14
n-octanol	1430.8
chloroform	6879.23
n-propyl acetate	1714.21
acetic acid	1330.97
dichloromethane	5015.28
cyclohexanone	3173.69
propylene glycol	405.93
isopropyl acetate	1634.99
DMAc	2161.41
2-ethoxyethanol	1491.55
isopentanol	2458.37
n-heptane	577.82
ethyl formate	1289.48
1,2-dichloroethane	2729.22
n-hexanol	2464.8
2-methoxyethanol	1711.64
isobutyl acetate	1176.62
tetrachloromethane	1535.07
n-pentyl acetate	1595.43
transcutol	4136.7
n-heptanol	1266.79
ethylbenzene	1597.8
MIBK	1471.75
2-propoxyethanol	2010.58
tert-butanol	3256.73
MTBE	3769.89
2-butoxyethanol	1484.62
propionic acid	1169.18
o-xylene	1414.31
formic acid	330.03
diethyl ether	2647.14
m-xylene	1451.58
p-xylene	2092.39
chlorobenzene	2079.61
dimethyl carbonate	518.65
n-octane	249.14
formamide	479.81
cyclopentanone	2402.63
2-pentanone	2198.71
anisole	1903.36
cyclopentyl methyl ether	2180.26
gamma-butyrolactone	2288.17
1-methoxy-2-propanol	1625.29
pyridine	2443.06
3-pentanone	1588.06
furfural	2149.81
n-dodecane	141.88
diethylene glycol	826.84
diisopropyl ether	1222.88
tert-amyl alcohol	3854.29
acetylacetone	1596.78
n-hexadecane	165.28
acetophenone	1639.78
methyl propionate	1361.71
isopentyl acetate	2208.97
trichloroethylene	5433.36
n-nonanol	1194.15
cyclohexanol	2449.48
benzyl alcohol	1372.78
2-ethylhexanol	1755.73
isooctanol	1098.1
dipropyl ether	1541.91
1,2-dichlorobenzene	1946.16
ethyl lactate	653.48
propylene carbonate	1676.9
n-methylformamide	977.26
2-pentanol	2269.93
n-pentane	866.84
1-propoxy-2-propanol	1771.4
1-methoxy-2-propyl acetate	1488.25
2-(2-methoxypropoxy) propanol	1183.03
mesitylene	981.87
ε-caprolactone	2750.48
p-cymene	863.01
epichlorohydrin	2864.12
1,1,1-trichloroethane	4099.44
2-aminoethanol	559.64
morpholine-4-carbaldehyde	2213.11
sulfolane	2146.72
2,2,4-trimethylpentane	512.26
2-methyltetrahydrofuran	3385.69
n-hexyl acetate	2392.17
isooctane	366.05
2-(2-butoxyethoxy)ethanol	1639.04
sec-butyl acetate	1433.64
tert-butyl acetate	1808.11
decalin	674.37
glycerin	414.14
diglyme	2461.47
acrylic acid	833.87
isopropyl myristate	744.22
n-butyric acid	2195.39
acetyl acetate	1189.09
di(2-ethylhexyl) phthalate	631.18
ethyl propionate	1459.04
nitromethane	1852.79
1,2-diethoxyethane	1946.57
benzonitrile	1989.81
trioctyl phosphate	499.53
1-bromopropane	2726.08
gamma-valerolactone	2785.16
n-decanol	792.74
triethyl phosphate	608.98
4-methyl-2-pentanol	1366.81
propionitrile	1859.24
vinylene carbonate	1593.02
1,1,2-trichlorotrifluoroethane	1859.02
DMS	1072.69
cumene	1064.63
2-octanol	1151.23
2-hexanone	1889.62
octyl acetate	980.97
limonene	1318.88
1,2-dimethoxyethane	2513.29
ethyl orthosilicate	664.98
tributyl phosphate	631.42
diacetone alcohol	1601.84
N,N-dimethylaniline	1410.76
acrylonitrile	1631.58
aniline	1590.99
1,3-propanediol	985.45
bromobenzene	2498.35
dibromomethane	3993.28
1,1,2,2-tetrachloroethane	4812.08
2-methyl-cyclohexyl acetate	1284.54
tetrabutyl urea	723.72
diisobutyl methanol	864.53
2-phenylethanol	1369.95
styrene	1706.01
dioctyl adipate	896.53
dimethyl sulfate	712.05
ethyl butyrate	1576.27
methyl lactate	558.52
butyl lactate	1102.49
diethyl carbonate	987.55
propanediol butyl ether	1400.05
triethyl orthoformate	1021.3
p-tert-butyltoluene	817.54
methyl 4-tert-butylbenzoate	1237.71
morpholine	3043.36
tert-butylamine	2827.52
n-dodecanol	550.26
dimethoxymethane	1349.49
ethylene carbonate	1350.2
cyrene	960.2
2-ethoxyethyl acetate	1419.3
2-ethylhexyl acetate	1847.2
1,2,4-trichlorobenzene	2182.46
4-methylpyridine	3321.65
dibutyl ether	1619.25
2,6-dimethyl-4-heptanol	864.53
DEF	2299.73
dimethyl isosorbide	1680.8
tetrachloroethylene	3043.51
eugenol	1116.22
triacetin	1306.73
span 80	1221.63
1,4-butanediol	520.31
1,1-dichloroethane	3833.37
2-methyl-1-pentanol	2120.32
methyl formate	740.59
2-methyl-1-butanol	2545.04
n-decane	290.42
butyronitrile	2645.89
3,7-dimethyl-1-octanol	1417.2
1-chlorooctane	1094.85
1-chlorotetradecane	351.38
n-nonane	321.1
undecane	193.04
tert-butylcyclohexane	666.19
cyclooctane	486.78
cyclopentanol	1856.67
tetrahydropyran	3573.83
tert-amyl methyl ether	2774.52
2,5,8-trioxanonane	1508.84
1-hexene	2803.96
2-isopropoxyethanol	1297.7
2,2,2-trifluoroethanol	426.12
methyl butyrate	2060.71

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