Molecular formula
C8H13O4-

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

Fragrance
Fruity	74.57%
Winey	55.56%
Caramellic	50.78%
Fatty	48.97%
Buttery	42.94%
Sweet	42.43%
Oily	37.82%
Sour	36.75%
Creamy	34.68%
Milky	27.88%

 

Flavor
Fruity	64.91%
Sweet	38.46%
Cheese	37.54%
Creamy	32.9%
Berry	31.4%
Caramel	30.54%
Grape	29.89%
Buttery	29.86%
Butter	29.67%
Pineapple	28.99%

 

Odor impact est.
Medium

XLogP3-AA
1.4

pKa est.
4.69 (weak acid)

Molecular weight
173.19 g/mol

Flash point

• 110.56 ˚C est.

• OGYSYXDNLPNNPW-UHFFFAOYSA-M

4-Butoxy-4-oxobutanoate is typically used as an intermediate in organic synthesis and as a precursor for polymerizable building blocks used in coatings, inks, and plastics. In industry, it may serve as a solvent or co-solvent in formulations, and in polymer processing it can act as a plasticizer or stabilizer depending on the formulation. It is also evaluated for use in cosmetic or fragrance-related formulations as an ingredient or fragrance intermediate. In adhesive formulations it can function as a reactive ester component. These uses are highly formulation- and regulation-dependent.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	712.57
methanol	1295.94
isopropanol	441.68
water	5.92
ethyl acetate	382.57
n-propanol	371.32
acetone	910.15
n-butanol	287.48
acetonitrile	746.92
DMF	2218.25
toluene	86.45
isobutanol	249.68
1,4-dioxane	626.8
methyl acetate	534.25
THF	678.1
2-butanone	512.08
n-pentanol	245.13
sec-butanol	330.3
n-hexane	11.17
ethylene glycol	157.93
NMP	1236.81
cyclohexane	9.13
DMSO	2462.41
n-butyl acetate	230.06
n-octanol	71.14
chloroform	288.74
n-propyl acetate	268.52
acetic acid	858.53
dichloromethane	479.39
cyclohexanone	426.37
propylene glycol	140.61
isopropyl acetate	217.45
DMAc	1872.33
2-ethoxyethanol	675.36
isopentanol	284.72
n-heptane	3.53
ethyl formate	360.53
1,2-dichloroethane	390.09
n-hexanol	126.63
2-methoxyethanol	1013.11
isobutyl acetate	148.42
tetrachloromethane	30.29
n-pentyl acetate	112.64
transcutol	1467.71
n-heptanol	50.47
ethylbenzene	86.09
MIBK	187.11
2-propoxyethanol	351.5
tert-butanol	598.31
MTBE	340.23
2-butoxyethanol	174.22
propionic acid	368.35
o-xylene	93.62
formic acid	548.55
diethyl ether	247.37
m-xylene	73.7
p-xylene	126.97
chlorobenzene	146.07
dimethyl carbonate	176.51
n-octane	2.73
formamide	1076.8
cyclopentanone	601.48
2-pentanone	303.26
anisole	309.94
cyclopentyl methyl ether	235.99
gamma-butyrolactone	848.69
1-methoxy-2-propanol	570.9
pyridine	445.52
3-pentanone	211.36
furfural	835.75
n-dodecane	3.57
diethylene glycol	364.19
diisopropyl ether	57.13
tert-amyl alcohol	479.17
acetylacetone	489.69
n-hexadecane	4.01
acetophenone	333.08
methyl propionate	312.75
isopentyl acetate	222.02
trichloroethylene	608.7
n-nonanol	62.97
cyclohexanol	175.86
benzyl alcohol	283.45
2-ethylhexanol	75.95
isooctanol	46.9
dipropyl ether	62.87
1,2-dichlorobenzene	159.69
ethyl lactate	130.41
propylene carbonate	380.79
n-methylformamide	906.37
2-pentanol	174.89
n-pentane	8.28
1-propoxy-2-propanol	205.55
1-methoxy-2-propyl acetate	252.38
2-(2-methoxypropoxy) propanol	299.12
mesitylene	46.28
ε-caprolactone	444.58
p-cymene	36.64
epichlorohydrin	813.14
1,1,1-trichloroethane	193.96
2-aminoethanol	350.42
morpholine-4-carbaldehyde	1108.44
sulfolane	1026.4
2,2,4-trimethylpentane	8.71
2-methyltetrahydrofuran	464.34
n-hexyl acetate	174.61
isooctane	4.94
2-(2-butoxyethoxy)ethanol	378.28
sec-butyl acetate	168.28
tert-butyl acetate	269.05
decalin	13.73
glycerin	245.36
diglyme	703.93
acrylic acid	351.25
isopropyl myristate	65.85
n-butyric acid	407.15
acetyl acetate	272.99
di(2-ethylhexyl) phthalate	89.92
ethyl propionate	206.8
nitromethane	1798.26
1,2-diethoxyethane	302.81
benzonitrile	294.33
trioctyl phosphate	49.85
1-bromopropane	147.36
gamma-valerolactone	967.82
n-decanol	46.88
triethyl phosphate	92.26
4-methyl-2-pentanol	100.92
propionitrile	319.18
vinylene carbonate	372.25
1,1,2-trichlorotrifluoroethane	539.65
DMS	218.39
cumene	62.97
2-octanol	40.51
2-hexanone	253.37
octyl acetate	87.19
limonene	50.49
1,2-dimethoxyethane	1020.18
ethyl orthosilicate	83.68
tributyl phosphate	84.87
diacetone alcohol	371.57
N,N-dimethylaniline	228.58
acrylonitrile	505.85
aniline	204.06
1,3-propanediol	426.37
bromobenzene	132.93
dibromomethane	256.52
1,1,2,2-tetrachloroethane	473.02
2-methyl-cyclohexyl acetate	139.33
tetrabutyl urea	115.4
diisobutyl methanol	47.95
2-phenylethanol	166.08
styrene	123.6
dioctyl adipate	139.54
dimethyl sulfate	405.03
ethyl butyrate	152.7
methyl lactate	186.46
butyl lactate	118.39
diethyl carbonate	124.38
propanediol butyl ether	217.8
triethyl orthoformate	103.04
p-tert-butyltoluene	34.95
methyl 4-tert-butylbenzoate	191.8
morpholine	789.75
tert-butylamine	269.78
n-dodecanol	35.38
dimethoxymethane	580.4
ethylene carbonate	279.65
cyrene	276.06
2-ethoxyethyl acetate	235.02
2-ethylhexyl acetate	155.14
1,2,4-trichlorobenzene	225.6
4-methylpyridine	540.45
dibutyl ether	89.08
2,6-dimethyl-4-heptanol	47.95
DEF	555.44
dimethyl isosorbide	418.64
tetrachloroethylene	253.59
eugenol	204.49
triacetin	257.09
span 80	190.25
1,4-butanediol	196.4
1,1-dichloroethane	259.72
2-methyl-1-pentanol	263.09
methyl formate	593.4
2-methyl-1-butanol	271.6
n-decane	5.32
butyronitrile	300.86
3,7-dimethyl-1-octanol	88.85
1-chlorooctane	32.84
1-chlorotetradecane	14.71
n-nonane	4.58
undecane	4.23
tert-butylcyclohexane	12.66
cyclooctane	3.43
cyclopentanol	218.85
tetrahydropyran	315.58
tert-amyl methyl ether	269.85
2,5,8-trioxanonane	530.22
1-hexene	65.42
2-isopropoxyethanol	387.91
2,2,2-trifluoroethanol	271.29
methyl butyrate	341.0

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