Molecular formula
C7H11O4-

SMILES
CCCCOC(=O)CC(=O)[O-]

Fragrance
Fruity	76.93%
Winey	57.13%
Caramellic	45.12%
Fatty	44.54%
Sour	44.26%
Sweet	36.58%
Buttery	33.38%
Cheesy	32.29%
Fermented	31.87%
Oily	30.04%

 

Flavor
Fruity	64.47%
Cheese	39.61%
Sweet	33.77%
Sour	32.87%
Fatty	28.98%
Tropical	28.51%
Green	27.11%
Pineapple	26.7%
Berry	26.42%
Butter	26.07%

 

Odor impact est.
Medium

XLogP3-AA
1.7

pKa est.
4.71 (weak acid)

Molecular weight
159.16 g/mol

Flash point

• 78.55 ˚C est.

3-butoxy-3-oxopropanoate is a beta-keto ester that is typically used as a synthetic building block in organic synthesis. It may serve as an intermediate in the manufacture of pharmaceutical and agrochemical compounds; it can act as a precursor in polymer chemistry and coatings formulations (as a reactive monomer or functionalized building block); it may function as a specialty solvent or processing aid in niche industrial applications; and it may be evaluated for fragrance or cosmetic formulation uses as a precursor in scent-related chemistry, depending on formulation needs and regulatory constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	140.15
methanol	245.03
isopropanol	81.58
water	3.14
ethyl acetate	59.82
n-propanol	69.93
acetone	233.83
n-butanol	64.93
acetonitrile	77.93
DMF	988.27
toluene	12.27
isobutanol	49.61
1,4-dioxane	107.77
methyl acetate	77.97
THF	396.34
2-butanone	87.45
n-pentanol	41.2
sec-butanol	43.45
n-hexane	1.73
ethylene glycol	102.37
NMP	811.1
cyclohexane	1.68
DMSO	1095.96
n-butyl acetate	40.97
n-octanol	18.27
chloroform	60.38
n-propyl acetate	36.91
acetic acid	237.14
dichloromethane	73.0
cyclohexanone	142.58
propylene glycol	138.97
isopropyl acetate	43.78
DMAc	640.17
2-ethoxyethanol	122.44
isopentanol	62.11
n-heptane	0.96
ethyl formate	71.48
1,2-dichloroethane	65.07
n-hexanol	31.55
2-methoxyethanol	346.44
isobutyl acetate	26.2
tetrachloromethane	6.89
n-pentyl acetate	23.15
transcutol	398.86
n-heptanol	13.6
ethylbenzene	12.39
MIBK	59.73
2-propoxyethanol	123.05
tert-butanol	130.69
MTBE	37.81
2-butoxyethanol	52.08
propionic acid	107.0
o-xylene	16.8
formic acid	162.6
diethyl ether	22.81
m-xylene	17.4
p-xylene	16.4
chlorobenzene	27.17
dimethyl carbonate	65.06
n-octane	0.48
formamide	223.74
cyclopentanone	277.45
2-pentanone	79.98
anisole	51.23
cyclopentyl methyl ether	82.91
gamma-butyrolactone	339.08
1-methoxy-2-propanol	243.54
pyridine	75.53
3-pentanone	42.5
furfural	309.76
n-dodecane	0.73
diethylene glycol	173.45
diisopropyl ether	8.74
tert-amyl alcohol	72.03
acetylacetone	161.09
n-hexadecane	0.85
acetophenone	67.75
methyl propionate	77.38
isopentyl acetate	44.93
trichloroethylene	132.0
n-nonanol	16.64
cyclohexanol	51.07
benzyl alcohol	58.59
2-ethylhexanol	19.35
isooctanol	12.68
dipropyl ether	15.11
1,2-dichlorobenzene	38.93
ethyl lactate	49.91
propylene carbonate	165.43
n-methylformamide	283.65
2-pentanol	31.92
n-pentane	1.22
1-propoxy-2-propanol	79.54
1-methoxy-2-propyl acetate	83.31
2-(2-methoxypropoxy) propanol	119.63
mesitylene	13.5
ε-caprolactone	128.65
p-cymene	11.37
epichlorohydrin	265.94
1,1,1-trichloroethane	47.6
2-aminoethanol	143.14
morpholine-4-carbaldehyde	421.51
sulfolane	632.29
2,2,4-trimethylpentane	1.71
2-methyltetrahydrofuran	132.41
n-hexyl acetate	44.31
isooctane	1.64
2-(2-butoxyethoxy)ethanol	132.57
sec-butyl acetate	26.25
tert-butyl acetate	73.12
decalin	3.06
glycerin	217.54
diglyme	207.9
acrylic acid	130.59
isopropyl myristate	18.09
n-butyric acid	114.42
acetyl acetate	56.57
di(2-ethylhexyl) phthalate	33.32
ethyl propionate	40.18
nitromethane	414.83
1,2-diethoxyethane	43.1
benzonitrile	58.28
trioctyl phosphate	19.63
1-bromopropane	19.33
gamma-valerolactone	372.42
n-decanol	12.42
triethyl phosphate	29.52
4-methyl-2-pentanol	25.91
propionitrile	46.59
vinylene carbonate	126.41
1,1,2-trichlorotrifluoroethane	250.66
DMS	64.71
cumene	12.54
2-octanol	9.21
2-hexanone	44.9
octyl acetate	23.45
limonene	15.84
1,2-dimethoxyethane	195.56
ethyl orthosilicate	24.33
tributyl phosphate	28.95
diacetone alcohol	160.16
N,N-dimethylaniline	52.45
acrylonitrile	88.4
aniline	43.15
1,3-propanediol	169.02
bromobenzene	22.12
dibromomethane	38.36
1,1,2,2-tetrachloroethane	109.68
2-methyl-cyclohexyl acetate	39.3
tetrabutyl urea	48.4
diisobutyl methanol	15.29
2-phenylethanol	43.94
styrene	14.34
dioctyl adipate	43.03
dimethyl sulfate	192.59
ethyl butyrate	34.55
methyl lactate	117.38
butyl lactate	40.62
diethyl carbonate	30.22
propanediol butyl ether	97.49
triethyl orthoformate	28.39
p-tert-butyltoluene	11.8
methyl 4-tert-butylbenzoate	73.68
morpholine	174.19
tert-butylamine	49.73
n-dodecanol	9.3
dimethoxymethane	213.28
ethylene carbonate	89.31
cyrene	141.51
2-ethoxyethyl acetate	46.71
2-ethylhexyl acetate	29.9
1,2,4-trichlorobenzene	54.89
4-methylpyridine	92.46
dibutyl ether	15.8
2,6-dimethyl-4-heptanol	15.29
DEF	134.83
dimethyl isosorbide	207.61
tetrachloroethylene	56.09
eugenol	74.46
triacetin	79.11
span 80	84.45
1,4-butanediol	55.16
1,1-dichloroethane	43.41
2-methyl-1-pentanol	40.7
methyl formate	194.65
2-methyl-1-butanol	49.94
n-decane	1.01
butyronitrile	50.82
3,7-dimethyl-1-octanol	23.91
1-chlorooctane	6.56
1-chlorotetradecane	3.24
n-nonane	0.86
undecane	0.85
tert-butylcyclohexane	3.22
cyclooctane	0.74
cyclopentanol	91.03
tetrahydropyran	62.58
tert-amyl methyl ether	34.51
2,5,8-trioxanonane	184.77
1-hexene	7.97
2-isopropoxyethanol	70.34
2,2,2-trifluoroethanol	87.83
methyl butyrate	63.41

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