Molecular formula
C8H14O4

SMILES
CCC(C(=O)OCC)OC(=O)C

Fragrance
Fruity	91.67%
Caramellic	47.12%
Winey	41.98%
Buttery	40.73%
Apple	39.75%
Sweet	38.06%
Tropical	35.2%
Creamy	33.33%
Ethereal	31.48%
Pineapple	30.86%

 

Flavor
Fruity	88.12%
Creamy	42.54%
Mild	38.33%
Tropical	37.69%
Bitter	37.31%
Grape	36.71%
Fruit	36.55%
Buttery	34.92%
Green	33.62%
Wine	31.4%

 

Odor impact est.
High

XLogP3-AA
1.3

pKa est.
7.21 (neutral)

Molecular weight
174.19 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
194°C

Flash point

• 76.0 ˚C est.

• SCHEMBL6685614
• 2-acetoxy-2-ethyl-acetic-acid-ethylester

2-Acetoxy-2-ethyl-acetic-acid-ethylester is primarily used as an intermediate in the organic synthesis of specialty chemicals. It can serve as a solvent or co-solvent in coatings, inks, and adhesives, and as a plasticizer precursor to modify polymer properties. The ester features may be evaluated for fragrance-related applications as a fragrance solvent or odorant component, and it is sometimes used as a processing aid or solvent in cosmetics/personal care formulations and in cleaning products. In pharmaceutical and agrochemical development, it may be used as an intermediate in synthesis under appropriate safety and regulatory controls.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	854.87
methanol	1647.52
isopropanol	633.94
water	11.45
ethyl acetate	558.44
n-propanol	652.08
acetone	1125.89
n-butanol	518.63
acetonitrile	1125.94
DMF	1905.48
toluene	373.09
isobutanol	472.68
1,4-dioxane	1176.6
methyl acetate	703.32
THF	1015.09
2-butanone	687.63
n-pentanol	449.16
sec-butanol	597.2
n-hexane	67.75
ethylene glycol	289.14
NMP	1396.47
cyclohexane	123.73
DMSO	1963.51
n-butyl acetate	396.98
n-octanol	185.14
chloroform	1647.05
n-propyl acetate	373.83
acetic acid	1380.84
dichloromethane	1922.6
cyclohexanone	935.59
propylene glycol	249.96
isopropyl acetate	325.73
DMAc	1606.56
2-ethoxyethanol	737.67
isopentanol	394.83
n-heptane	27.53
ethyl formate	656.76
1,2-dichloroethane	1171.84
n-hexanol	313.1
2-methoxyethanol	1205.52
isobutyl acetate	216.36
tetrachloromethane	223.13
n-pentyl acetate	271.78
transcutol	877.3
n-heptanol	142.13
ethylbenzene	254.19
MIBK	280.56
2-propoxyethanol	536.63
tert-butanol	728.62
MTBE	547.83
2-butoxyethanol	285.89
propionic acid	620.62
o-xylene	287.65
formic acid	707.95
diethyl ether	501.73
m-xylene	223.67
p-xylene	361.94
chlorobenzene	589.83
dimethyl carbonate	268.65
n-octane	20.6
formamide	802.03
cyclopentanone	980.18
2-pentanone	495.5
anisole	480.77
cyclopentyl methyl ether	451.19
gamma-butyrolactone	1239.05
1-methoxy-2-propanol	622.39
pyridine	1052.36
3-pentanone	433.24
furfural	1377.5
n-dodecane	22.03
diethylene glycol	496.3
diisopropyl ether	119.38
tert-amyl alcohol	667.01
acetylacetone	626.8
n-hexadecane	25.05
acetophenone	508.83
methyl propionate	472.17
isopentyl acetate	333.59
trichloroethylene	1844.3
n-nonanol	156.15
cyclohexanol	572.79
benzyl alcohol	507.82
2-ethylhexanol	187.05
isooctanol	119.59
dipropyl ether	167.64
1,2-dichlorobenzene	583.88
ethyl lactate	207.46
propylene carbonate	700.96
n-methylformamide	1074.55
2-pentanol	314.85
n-pentane	60.36
1-propoxy-2-propanol	296.78
1-methoxy-2-propyl acetate	301.01
2-(2-methoxypropoxy) propanol	269.12
mesitylene	149.12
ε-caprolactone	791.55
p-cymene	123.46
epichlorohydrin	1284.34
1,1,1-trichloroethane	817.14
2-aminoethanol	447.12
morpholine-4-carbaldehyde	1168.68
sulfolane	1439.68
2,2,4-trimethylpentane	44.0
2-methyltetrahydrofuran	759.94
n-hexyl acetate	375.01
isooctane	22.25
2-(2-butoxyethoxy)ethanol	328.71
sec-butyl acetate	234.14
tert-butyl acetate	328.98
decalin	74.69
glycerin	390.56
diglyme	714.63
acrylic acid	629.64
isopropyl myristate	132.45
n-butyric acid	675.21
acetyl acetate	421.91
di(2-ethylhexyl) phthalate	149.67
ethyl propionate	350.56
nitromethane	1852.75
1,2-diethoxyethane	375.96
benzonitrile	683.98
trioctyl phosphate	110.4
1-bromopropane	577.56
gamma-valerolactone	1270.98
n-decanol	113.76
triethyl phosphate	160.81
4-methyl-2-pentanol	159.02
propionitrile	737.47
vinylene carbonate	750.62
1,1,2-trichlorotrifluoroethane	882.01
DMS	327.69
cumene	168.77
2-octanol	127.26
2-hexanone	378.4
octyl acetate	182.94
limonene	175.75
1,2-dimethoxyethane	1233.11
ethyl orthosilicate	145.73
tributyl phosphate	140.55
diacetone alcohol	352.48
N,N-dimethylaniline	367.53
acrylonitrile	956.14
aniline	493.75
1,3-propanediol	578.21
bromobenzene	634.09
dibromomethane	1163.45
1,1,2,2-tetrachloroethane	1369.82
2-methyl-cyclohexyl acetate	225.94
tetrabutyl urea	189.3
diisobutyl methanol	100.19
2-phenylethanol	321.36
styrene	329.77
dioctyl adipate	200.28
dimethyl sulfate	498.8
ethyl butyrate	271.61
methyl lactate	284.62
butyl lactate	205.45
diethyl carbonate	214.28
propanediol butyl ether	271.47
triethyl orthoformate	189.01
p-tert-butyltoluene	119.31
methyl 4-tert-butylbenzoate	285.42
morpholine	1209.6
tert-butylamine	441.67
n-dodecanol	87.78
dimethoxymethane	773.75
ethylene carbonate	617.97
cyrene	335.92
2-ethoxyethyl acetate	324.97
2-ethylhexyl acetate	263.31
1,2,4-trichlorobenzene	637.85
4-methylpyridine	1104.46
dibutyl ether	203.16
2,6-dimethyl-4-heptanol	100.19
DEF	772.42
dimethyl isosorbide	442.36
tetrachloroethylene	953.53
eugenol	299.58
triacetin	317.46
span 80	229.89
1,4-butanediol	307.43
1,1-dichloroethane	934.95
2-methyl-1-pentanol	390.09
methyl formate	866.43
2-methyl-1-butanol	443.04
n-decane	33.48
butyronitrile	705.41
3,7-dimethyl-1-octanol	171.95
1-chlorooctane	138.59
1-chlorotetradecane	59.15
n-nonane	32.38
undecane	26.33
tert-butylcyclohexane	57.19
cyclooctane	34.34
cyclopentanol	585.51
tetrahydropyran	876.2
tert-amyl methyl ether	423.4
2,5,8-trioxanonane	441.83
1-hexene	236.79
2-isopropoxyethanol	423.75
2,2,2-trifluoroethanol	417.3
methyl butyrate	504.71

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