Molecular formula
C10H18O3

SMILES
CCCC(=O)C(CC)C(=O)OCC

Fragrance
Fruity	95.73%
Green	61.55%
Apple	55.79%
Herbal	54.4%
Winey	50.78%
Sweet	44.34%
Pineapple	42.53%
Tropical	37.8%
Caramellic	36.23%
Berry	35.81%

 

Flavor
Fruity	82.12%
Berry	40.14%
Pineapple	37.78%
Cheese	37.14%
Apple	35.57%
Grape	34.99%
Fatty	34.25%
Fruit	33.06%
Sweet	32.53%
Creamy	32.48%

 

Odor impact est.
Medium

XLogP3-AA
2.1

pKa est.
8.01 (weak base)

Molecular weight
186.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
217°C

Flash point

• 91.09 ˚C est.

• ethyl 2-ethyl-3-oxohexanoate
• NSC2331
• 2-ETHYL-3-OXO-HEXANOIC ACID, ETHYL ESTER
• SCHEMBL5957161
• NSC-2331
• AKOS010951816

Ethyl 2-ethyl-3-oxohexanoate is a versatile beta-keto ester commonly used as an intermediate in organic synthesis across fragrance and flavor chemistry, cosmetics/personal care, pharmaceuticals, and general industrial manufacturing. In perfumery it serves as a precursor to aroma compounds; in flavor formulation it participates in the synthesis of complex notes; in cosmetics and personal care it appears as a component in fragrance systems and related intermediates; in pharmaceutical development it functions as a synthetic building block for more advanced intermediates; in industrial manufacturing it acts as a reactive scaffold in process chemistry. This use profile reflects common roles for beta-keto esters and is subject to formulation constraints and regulatory requirements.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	3367.52
methanol	4403.17
isopropanol	3169.89
water	4.22
ethyl acetate	2014.75
n-propanol	2808.58
acetone	3744.67
n-butanol	2524.69
acetonitrile	3243.34
DMF	4788.37
toluene	1185.25
isobutanol	2309.03
1,4-dioxane	3592.67
methyl acetate	2089.82
THF	4913.76
2-butanone	2394.98
n-pentanol	1629.11
sec-butanol	2647.45
n-hexane	301.61
ethylene glycol	687.76
NMP	4256.96
cyclohexane	821.76
DMSO	3655.35
n-butyl acetate	1360.02
n-octanol	731.48
chloroform	8056.59
n-propyl acetate	1053.62
acetic acid	4365.98
dichloromethane	7098.26
cyclohexanone	4800.17
propylene glycol	1022.56
isopropyl acetate	1185.41
DMAc	2902.79
2-ethoxyethanol	1433.8
isopentanol	1894.73
n-heptane	138.81
ethyl formate	1815.33
1,2-dichloroethane	3904.68
n-hexanol	1463.82
2-methoxyethanol	2949.36
isobutyl acetate	661.98
tetrachloromethane	1014.5
n-pentyl acetate	938.84
transcutol	2349.76
n-heptanol	534.29
ethylbenzene	629.23
MIBK	1073.35
2-propoxyethanol	1777.65
tert-butanol	3009.44
MTBE	1687.62
2-butoxyethanol	797.89
propionic acid	2512.41
o-xylene	678.59
formic acid	1056.47
diethyl ether	1729.58
m-xylene	712.99
p-xylene	873.21
chlorobenzene	2345.36
dimethyl carbonate	758.19
n-octane	74.65
formamide	1427.4
cyclopentanone	4431.47
2-pentanone	1970.27
anisole	1047.14
cyclopentyl methyl ether	2139.84
gamma-butyrolactone	5240.48
1-methoxy-2-propanol	2104.56
pyridine	3792.1
3-pentanone	1374.79
furfural	3542.02
n-dodecane	65.54
diethylene glycol	1220.45
diisopropyl ether	467.72
tert-amyl alcohol	2284.32
acetylacetone	1964.59
n-hexadecane	77.34
acetophenone	1100.88
methyl propionate	1652.38
isopentyl acetate	1098.61
trichloroethylene	7619.5
n-nonanol	590.89
cyclohexanol	3208.81
benzyl alcohol	1102.58
2-ethylhexanol	686.22
isooctanol	427.29
dipropyl ether	674.05
1,2-dichlorobenzene	1785.51
ethyl lactate	556.51
propylene carbonate	2778.52
n-methylformamide	2603.12
2-pentanol	1612.59
n-pentane	303.23
1-propoxy-2-propanol	1170.67
1-methoxy-2-propyl acetate	1039.01
2-(2-methoxypropoxy) propanol	695.96
mesitylene	458.73
ε-caprolactone	3391.72
p-cymene	333.41
epichlorohydrin	4650.79
1,1,1-trichloroethane	3846.49
2-aminoethanol	1332.53
morpholine-4-carbaldehyde	2919.9
sulfolane	5376.87
2,2,4-trimethylpentane	128.45
2-methyltetrahydrofuran	3525.42
n-hexyl acetate	1432.75
isooctane	101.31
2-(2-butoxyethoxy)ethanol	956.16
sec-butyl acetate	670.63
tert-butyl acetate	1145.11
decalin	243.9
glycerin	1015.42
diglyme	1699.26
acrylic acid	2159.24
isopropyl myristate	453.24
n-butyric acid	3211.72
acetyl acetate	1353.71
di(2-ethylhexyl) phthalate	432.01
ethyl propionate	940.76
nitromethane	5054.17
1,2-diethoxyethane	1015.36
benzonitrile	1932.08
trioctyl phosphate	358.95
1-bromopropane	2314.26
gamma-valerolactone	4467.88
n-decanol	402.12
triethyl phosphate	390.93
4-methyl-2-pentanol	690.79
propionitrile	2374.63
vinylene carbonate	2610.17
1,1,2-trichlorotrifluoroethane	2796.54
DMS	915.8
cumene	389.71
2-octanol	496.46
2-hexanone	1179.82
octyl acetate	629.44
limonene	587.09
1,2-dimethoxyethane	2321.64
ethyl orthosilicate	352.52
tributyl phosphate	436.38
diacetone alcohol	1269.35
N,N-dimethylaniline	688.04
acrylonitrile	2825.74
aniline	1560.99
1,3-propanediol	1924.43
bromobenzene	2568.37
dibromomethane	4709.51
1,1,2,2-tetrachloroethane	5904.21
2-methyl-cyclohexyl acetate	706.13
tetrabutyl urea	571.29
diisobutyl methanol	353.78
2-phenylethanol	955.34
styrene	871.49
dioctyl adipate	647.68
dimethyl sulfate	1198.29
ethyl butyrate	849.75
methyl lactate	858.35
butyl lactate	707.39
diethyl carbonate	610.22
propanediol butyl ether	933.21
triethyl orthoformate	535.36
p-tert-butyltoluene	321.92
methyl 4-tert-butylbenzoate	806.52
morpholine	4196.93
tert-butylamine	1772.0
n-dodecanol	285.11
dimethoxymethane	2013.14
ethylene carbonate	2213.91
cyrene	844.54
2-ethoxyethyl acetate	948.48
2-ethylhexyl acetate	778.82
1,2,4-trichlorobenzene	2016.19
4-methylpyridine	3592.95
dibutyl ether	712.4
2,6-dimethyl-4-heptanol	353.78
DEF	2174.8
dimethyl isosorbide	1260.42
tetrachloroethylene	3616.76
eugenol	755.12
triacetin	929.15
span 80	795.37
1,4-butanediol	843.44
1,1-dichloroethane	4474.15
2-methyl-1-pentanol	1239.17
methyl formate	2063.08
2-methyl-1-butanol	1905.16
n-decane	118.17
butyronitrile	2792.98
3,7-dimethyl-1-octanol	606.24
1-chlorooctane	521.74
1-chlorotetradecane	185.52
n-nonane	123.08
undecane	84.34
tert-butylcyclohexane	185.1
cyclooctane	167.87
cyclopentanol	3237.24
tetrahydropyran	4194.69
tert-amyl methyl ether	1133.96
2,5,8-trioxanonane	1111.97
1-hexene	967.98
2-isopropoxyethanol	910.25
2,2,2-trifluoroethanol	1020.9
methyl butyrate	1489.0

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