Molecular formula
C8H13O6-

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

Fragrance
Fruity	70.15%
Caramellic	56.14%
Sweet	48.7%
Buttery	47.24%
Winey	42.81%
Fatty	33.28%
Creamy	30.07%
Milky	29.77%
Oily	27.31%
Odorless	26.81%

 

Flavor
Odorless	49.42%
Very mild	30.86%
Bland	26.74%
Sweet-like	24.28%
Mild	22.92%
Fruity	21.3%
Sour	20.33%
Yeast	19.8%
Roquefort cheese	19.0%
Broccoli	18.68%

 

Odor impact est.
Low

XLogP3-AA
0.5

pKa est.
3.3 (weak acid)

Molecular weight
205.18 g/mol

Flash point

• 145.71 ˚C est.

4-Butoxy-2,3-dihydroxy-4-oxobutanoate is primarily used as an organic synthesis intermediate; it serves as a building block for the preparation of specialty esters and protected diol-derived scaffolds, which are subsequently employed in pharmaceutical and fine-chemical manufacturing. It can act as a precursor for polymer and resin applications, providing a functionalized backbone suitable for further esterification or transesterification to yield monomers or crosslinkable intermediates used in coatings, inks, and adhesives. In cosmetics and personal care, it may be evaluated as an intermediate in formulations involving ester derivatives; and in household products and cleaning formulations, it can be used as a reactive intermediate or formulation component in development. Its use is typically as an intermediate or building block, with actual applications governed by formulation and regulatory considerations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	275.94
methanol	730.22
isopropanol	108.93
water	44.57
ethyl acetate	58.94
n-propanol	148.52
acetone	131.87
n-butanol	107.47
acetonitrile	36.51
DMF	1122.03
toluene	8.68
isobutanol	76.84
1,4-dioxane	96.05
methyl acetate	72.08
THF	137.87
2-butanone	68.79
n-pentanol	55.82
sec-butanol	94.72
n-hexane	1.1
ethylene glycol	477.22
NMP	720.02
cyclohexane	4.7
DMSO	2235.34
n-butyl acetate	24.33
n-octanol	13.89
chloroform	11.07
n-propyl acetate	20.84
acetic acid	422.2
dichloromethane	23.41
cyclohexanone	98.63
propylene glycol	352.4
isopropyl acetate	29.62
DMAc	760.63
2-ethoxyethanol	289.65
isopentanol	79.94
n-heptane	1.62
ethyl formate	61.18
1,2-dichloroethane	38.45
n-hexanol	40.66
2-methoxyethanol	840.33
isobutyl acetate	8.53
tetrachloromethane	3.92
n-pentyl acetate	14.44
transcutol	356.59
n-heptanol	18.58
ethylbenzene	7.0
MIBK	33.25
2-propoxyethanol	141.25
tert-butanol	183.5
MTBE	40.0
2-butoxyethanol	65.31
propionic acid	185.34
o-xylene	15.14
formic acid	953.9
diethyl ether	22.73
m-xylene	10.85
p-xylene	8.21
chlorobenzene	8.18
dimethyl carbonate	62.53
n-octane	0.85
formamide	1302.9
cyclopentanone	129.31
2-pentanone	55.49
anisole	24.28
cyclopentyl methyl ether	58.27
gamma-butyrolactone	219.07
1-methoxy-2-propanol	408.07
pyridine	56.57
3-pentanone	36.27
furfural	197.12
n-dodecane	0.7
diethylene glycol	302.5
diisopropyl ether	7.95
tert-amyl alcohol	163.41
acetylacetone	102.65
n-hexadecane	0.77
acetophenone	43.56
methyl propionate	85.95
isopentyl acetate	24.44
trichloroethylene	46.55
n-nonanol	12.85
cyclohexanol	86.52
benzyl alcohol	59.79
2-ethylhexanol	18.09
isooctanol	15.16
dipropyl ether	9.76
1,2-dichlorobenzene	12.31
ethyl lactate	42.96
propylene carbonate	86.47
n-methylformamide	536.52
2-pentanol	52.9
n-pentane	2.01
1-propoxy-2-propanol	72.37
1-methoxy-2-propyl acetate	57.89
2-(2-methoxypropoxy) propanol	76.76
mesitylene	9.03
ε-caprolactone	117.26
p-cymene	7.29
epichlorohydrin	169.18
1,1,1-trichloroethane	12.71
2-aminoethanol	556.68
morpholine-4-carbaldehyde	460.3
sulfolane	573.97
2,2,4-trimethylpentane	2.02
2-methyltetrahydrofuran	85.03
n-hexyl acetate	20.95
isooctane	1.19
2-(2-butoxyethoxy)ethanol	114.17
sec-butyl acetate	14.02
tert-butyl acetate	49.06
decalin	2.14
glycerin	564.27
diglyme	198.94
acrylic acid	234.73
isopropyl myristate	8.07
n-butyric acid	134.51
acetyl acetate	40.5
di(2-ethylhexyl) phthalate	17.31
ethyl propionate	22.06
nitromethane	497.9
1,2-diethoxyethane	34.07
benzonitrile	24.5
trioctyl phosphate	12.74
1-bromopropane	9.46
gamma-valerolactone	259.32
n-decanol	10.15
triethyl phosphate	17.4
4-methyl-2-pentanol	28.63
propionitrile	24.56
vinylene carbonate	68.53
1,1,2-trichlorotrifluoroethane	275.02
DMS	36.68
cumene	6.75
2-octanol	9.88
2-hexanone	21.62
octyl acetate	12.75
limonene	11.95
1,2-dimethoxyethane	186.33
ethyl orthosilicate	14.82
tributyl phosphate	13.7
diacetone alcohol	179.56
N,N-dimethylaniline	30.21
acrylonitrile	60.36
aniline	39.62
1,3-propanediol	457.63
bromobenzene	6.14
dibromomethane	13.57
1,1,2,2-tetrachloroethane	48.34
2-methyl-cyclohexyl acetate	20.65
tetrabutyl urea	24.7
diisobutyl methanol	13.48
2-phenylethanol	42.99
styrene	7.15
dioctyl adipate	18.74
dimethyl sulfate	184.53
ethyl butyrate	17.4
methyl lactate	149.13
butyl lactate	29.67
diethyl carbonate	13.79
propanediol butyl ether	87.55
triethyl orthoformate	14.89
p-tert-butyltoluene	7.64
methyl 4-tert-butylbenzoate	47.86
morpholine	188.0
tert-butylamine	56.79
n-dodecanol	7.86
dimethoxymethane	227.59
ethylene carbonate	53.14
cyrene	125.85
2-ethoxyethyl acetate	36.15
2-ethylhexyl acetate	15.34
1,2,4-trichlorobenzene	20.67
4-methylpyridine	48.5
dibutyl ether	6.92
2,6-dimethyl-4-heptanol	13.48
DEF	180.38
dimethyl isosorbide	120.31
tetrachloroethylene	37.63
eugenol	46.87
triacetin	41.13
span 80	61.26
1,4-butanediol	173.14
1,1-dichloroethane	12.12
2-methyl-1-pentanol	53.88
methyl formate	257.18
2-methyl-1-butanol	82.06
n-decane	0.99
butyronitrile	19.88
3,7-dimethyl-1-octanol	16.78
1-chlorooctane	3.77
1-chlorotetradecane	2.03
n-nonane	0.92
undecane	0.82
tert-butylcyclohexane	1.54
cyclooctane	2.19
cyclopentanol	103.04
tetrahydropyran	41.43
tert-amyl methyl ether	46.15
2,5,8-trioxanonane	152.74
1-hexene	3.43
2-isopropoxyethanol	121.63
2,2,2-trifluoroethanol	186.96
methyl butyrate	36.68

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