Molecular formula
C10H20O4

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

Fragrance
Fruity	92.43%
Fresh	59.4%
Apple	56.14%
Green	42.39%
Ethereal	40.01%
Winey	35.75%
Sweet	33.57%
Tropical	30.07%
Citrus	26.0%
Herbal	25.05%

 

Flavor
Fruity	78.12%
Green	65.05%
Sweet	63.07%
Fruit	50.85%
Pineapple	43.85%
Bitter	38.03%
Apple	35.71%
Tropical	34.84%
Ether	34.23%
Banana	32.18%

 

Odor impact est.
Medium

XLogP3-AA
1.2

pKa est.
6.99 (neutral)

Molecular weight
204.26 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
213°C

Flash point

• 72.0 ˚C est.

• ethyl 3,3-diethoxybutanoate
• SCHEMBL10595181

Ethyl 3,3-diethoxybutanoate is commonly used as an organic-synthesis intermediate, providing an ethyl ester functionality and acetal protection that can be carried into more complex molecules. It may serve as a fragrance or flavor precursor in perfumery and flavor applications, as a solvent or formulation aid in cosmetics and personal care, and as a processing solvent or intermediate in household products, coatings and inks, and specialty polymers.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1108.98
methanol	1626.14
isopropanol	875.32
water	29.16
ethyl acetate	1349.36
n-propanol	855.04
acetone	1545.24
n-butanol	727.53
acetonitrile	1026.75
DMF	2061.51
toluene	809.31
isobutanol	668.91
1,4-dioxane	2024.79
methyl acetate	1321.46
THF	2675.34
2-butanone	989.32
n-pentanol	429.02
sec-butanol	828.89
n-hexane	166.18
ethylene glycol	414.94
NMP	3412.75
cyclohexane	513.7
DMSO	1516.02
n-butyl acetate	478.38
n-octanol	270.99
chloroform	3754.22
n-propyl acetate	474.54
acetic acid	2737.13
dichloromethane	3082.95
cyclohexanone	2239.56
propylene glycol	477.05
isopropyl acetate	743.54
DMAc	2608.39
2-ethoxyethanol	630.89
isopentanol	555.47
n-heptane	83.07
ethyl formate	826.79
1,2-dichloroethane	1677.07
n-hexanol	420.22
2-methoxyethanol	1441.77
isobutyl acetate	308.08
tetrachloromethane	604.96
n-pentyl acetate	391.8
transcutol	1244.88
n-heptanol	174.34
ethylbenzene	358.99
MIBK	457.53
2-propoxyethanol	704.65
tert-butanol	1007.42
MTBE	788.57
2-butoxyethanol	307.18
propionic acid	1312.4
o-xylene	559.16
formic acid	1075.98
diethyl ether	875.21
m-xylene	507.84
p-xylene	517.95
chlorobenzene	1118.39
dimethyl carbonate	575.97
n-octane	37.41
formamide	983.49
cyclopentanone	2140.62
2-pentanone	816.01
anisole	605.03
cyclopentyl methyl ether	1428.33
gamma-butyrolactone	2997.53
1-methoxy-2-propanol	913.98
pyridine	1687.04
3-pentanone	832.5
furfural	2167.48
n-dodecane	38.58
diethylene glycol	597.83
diisopropyl ether	255.3
tert-amyl alcohol	919.22
acetylacetone	1214.49
n-hexadecane	43.95
acetophenone	631.8
methyl propionate	1209.18
isopentyl acetate	405.74
trichloroethylene	3121.7
n-nonanol	237.13
cyclohexanol	1393.78
benzyl alcohol	515.75
2-ethylhexanol	264.16
isooctanol	148.56
dipropyl ether	307.75
1,2-dichlorobenzene	931.35
ethyl lactate	289.02
propylene carbonate	1566.38
n-methylformamide	1079.6
2-pentanol	504.55
n-pentane	158.8
1-propoxy-2-propanol	441.95
1-methoxy-2-propyl acetate	580.45
2-(2-methoxypropoxy) propanol	456.59
mesitylene	300.9
ε-caprolactone	2108.59
p-cymene	180.89
epichlorohydrin	2207.86
1,1,1-trichloroethane	1860.42
2-aminoethanol	613.05
morpholine-4-carbaldehyde	2255.45
sulfolane	2556.22
2,2,4-trimethylpentane	102.74
2-methyltetrahydrofuran	2105.86
n-hexyl acetate	656.21
isooctane	49.69
2-(2-butoxyethoxy)ethanol	495.72
sec-butyl acetate	369.38
tert-butyl acetate	653.6
decalin	179.64
glycerin	670.66
diglyme	875.46
acrylic acid	1107.26
isopropyl myristate	236.09
n-butyric acid	1398.07
acetyl acetate	1145.31
di(2-ethylhexyl) phthalate	263.7
ethyl propionate	607.88
nitromethane	3066.84
1,2-diethoxyethane	436.71
benzonitrile	751.54
trioctyl phosphate	168.58
1-bromopropane	970.38
gamma-valerolactone	2748.01
n-decanol	162.02
triethyl phosphate	257.64
4-methyl-2-pentanol	248.29
propionitrile	744.61
vinylene carbonate	1519.56
1,1,2-trichlorotrifluoroethane	1719.79
DMS	693.35
cumene	239.61
2-octanol	155.26
2-hexanone	397.81
octyl acetate	320.78
limonene	307.54
1,2-dimethoxyethane	1095.95
ethyl orthosilicate	232.51
tributyl phosphate	232.8
diacetone alcohol	630.74
N,N-dimethylaniline	440.98
acrylonitrile	933.57
aniline	902.24
1,3-propanediol	772.71
bromobenzene	1185.88
dibromomethane	2114.78
1,1,2,2-tetrachloroethane	2753.37
2-methyl-cyclohexyl acetate	384.42
tetrabutyl urea	318.63
diisobutyl methanol	145.98
2-phenylethanol	409.97
styrene	438.91
dioctyl adipate	410.0
dimethyl sulfate	956.85
ethyl butyrate	405.47
methyl lactate	566.47
butyl lactate	291.59
diethyl carbonate	325.69
propanediol butyl ether	338.11
triethyl orthoformate	302.28
p-tert-butyltoluene	171.83
methyl 4-tert-butylbenzoate	525.4
morpholine	2151.04
tert-butylamine	643.55
n-dodecanol	123.63
dimethoxymethane	1121.57
ethylene carbonate	1292.06
cyrene	556.84
2-ethoxyethyl acetate	536.02
2-ethylhexyl acetate	353.95
1,2,4-trichlorobenzene	1181.57
4-methylpyridine	1802.54
dibutyl ether	314.84
2,6-dimethyl-4-heptanol	145.98
DEF	1277.9
dimethyl isosorbide	811.48
tetrachloroethylene	1743.24
eugenol	406.17
triacetin	722.65
span 80	450.74
1,4-butanediol	290.35
1,1-dichloroethane	1812.36
2-methyl-1-pentanol	398.71
methyl formate	1016.56
2-methyl-1-butanol	634.32
n-decane	64.82
butyronitrile	669.71
3,7-dimethyl-1-octanol	250.79
1-chlorooctane	221.57
1-chlorotetradecane	98.08
n-nonane	65.82
undecane	47.43
tert-butylcyclohexane	135.61
cyclooctane	129.87
cyclopentanol	1354.95
tetrahydropyran	2040.97
tert-amyl methyl ether	700.99
2,5,8-trioxanonane	692.62
1-hexene	361.17
2-isopropoxyethanol	419.5
2,2,2-trifluoroethanol	982.26
methyl butyrate	723.6

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