Molecular formula
C5H12NO2+

SMILES
COC(=O)CCC[NH3+]

Fragrance
Fruity	97.82%
Sweet	74.46%
Pineapple	70.28%
Ethereal	63.93%
Apple	58.05%
Banana	57.89%
Green	53.13%
Tropical	52.39%
Ripe	47.28%
Rummy	45.77%

 

Flavor
Fruity	85.04%
Sweet	69.32%
Pineapple	66.57%
Apple	48.01%
Fruit	46.01%
Green	43.71%
Tropical	42.53%
Banana	41.38%
Berry	35.71%
Pear	34.86%

 

Odor impact est.
Low

XLogP3-AA
-0.2

pKa est.
8.36 (weak base)

Molecular weight
118.15 g/mol

Flash point

• 71.52 ˚C est.

For the compound (4-Methoxy-4-oxobutyl)azanium, typical real-world applications include: a cationic surfactant in household cleaning formulations and personal care products; an additive for coatings and inks to improve wetting, dispersion, and stability; an intermediate in organic synthesis for specialty chemical products; a stabilizer and processing aid in polymer and plastics formulations; and a phase-transfer catalyst in industrial chemical manufacturing.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	126.29
methanol	272.41
isopropanol	61.38
water	45.77
ethyl acetate	4.84
n-propanol	76.07
acetone	11.87
n-butanol	53.85
acetonitrile	15.29
DMF	140.08
toluene	2.82
isobutanol	43.36
1,4-dioxane	43.87
methyl acetate	9.27
THF	39.31
2-butanone	9.22
n-pentanol	32.34
sec-butanol	39.38
n-hexane	0.45
ethylene glycol	111.61
NMP	89.32
cyclohexane	0.99
DMSO	142.14
n-butyl acetate	5.67
n-octanol	11.46
chloroform	24.78
n-propyl acetate	4.36
acetic acid	126.24
dichloromethane	26.47
cyclohexanone	28.28
propylene glycol	95.37
isopropyl acetate	3.21
DMAc	90.04
2-ethoxyethanol	69.86
isopentanol	31.07
n-heptane	0.51
ethyl formate	24.8
1,2-dichloroethane	12.37
n-hexanol	19.75
2-methoxyethanol	155.01
isobutyl acetate	3.54
tetrachloromethane	4.56
n-pentyl acetate	6.01
transcutol	59.84
n-heptanol	13.36
ethylbenzene	2.99
MIBK	4.72
2-propoxyethanol	46.66
tert-butanol	47.55
MTBE	7.24
2-butoxyethanol	32.56
propionic acid	57.64
o-xylene	5.21
formic acid	196.74
diethyl ether	3.92
m-xylene	3.44
p-xylene	4.44
chlorobenzene	7.2
dimethyl carbonate	4.41
n-octane	0.4
formamide	123.85
cyclopentanone	32.44
2-pentanone	5.21
anisole	8.83
cyclopentyl methyl ether	8.77
gamma-butyrolactone	45.85
1-methoxy-2-propanol	68.38
pyridine	29.42
3-pentanone	3.74
furfural	78.66
n-dodecane	0.46
diethylene glycol	72.91
diisopropyl ether	1.14
tert-amyl alcohol	34.15
acetylacetone	7.99
n-hexadecane	0.5
acetophenone	12.63
methyl propionate	6.28
isopentyl acetate	6.58
trichloroethylene	25.75
n-nonanol	10.17
cyclohexanol	29.5
benzyl alcohol	25.0
2-ethylhexanol	9.78
isooctanol	10.25
dipropyl ether	2.88
1,2-dichlorobenzene	9.68
ethyl lactate	12.33
propylene carbonate	25.42
n-methylformamide	91.93
2-pentanol	15.19
n-pentane	0.57
1-propoxy-2-propanol	23.5
1-methoxy-2-propyl acetate	8.24
2-(2-methoxypropoxy) propanol	28.05
mesitylene	2.59
ε-caprolactone	28.58
p-cymene	3.27
epichlorohydrin	40.22
1,1,1-trichloroethane	6.77
2-aminoethanol	163.43
morpholine-4-carbaldehyde	85.85
sulfolane	73.94
2,2,4-trimethylpentane	0.59
2-methyltetrahydrofuran	21.5
n-hexyl acetate	9.18
isooctane	0.34
2-(2-butoxyethoxy)ethanol	35.68
sec-butyl acetate	2.96
tert-butyl acetate	4.53
decalin	0.85
glycerin	153.77
diglyme	49.28
acrylic acid	66.43
isopropyl myristate	4.02
n-butyric acid	51.97
acetyl acetate	5.11
di(2-ethylhexyl) phthalate	11.17
ethyl propionate	3.86
nitromethane	66.78
1,2-diethoxyethane	8.1
benzonitrile	18.24
trioctyl phosphate	7.48
1-bromopropane	5.16
gamma-valerolactone	63.58
n-decanol	7.38
triethyl phosphate	6.35
4-methyl-2-pentanol	8.32
propionitrile	14.45
vinylene carbonate	31.46
1,1,2-trichlorotrifluoroethane	72.75
DMS	7.01
cumene	3.28
2-octanol	7.29
2-hexanone	5.43
octyl acetate	6.28
limonene	4.24
1,2-dimethoxyethane	49.89
ethyl orthosilicate	5.95
tributyl phosphate	7.23
diacetone alcohol	17.66
N,N-dimethylaniline	9.93
acrylonitrile	28.15
aniline	16.33
1,3-propanediol	145.51
bromobenzene	5.01
dibromomethane	12.79
1,1,2,2-tetrachloroethane	25.5
2-methyl-cyclohexyl acetate	9.21
tetrabutyl urea	11.43
diisobutyl methanol	4.94
2-phenylethanol	17.34
styrene	3.42
dioctyl adipate	8.92
dimethyl sulfate	13.7
ethyl butyrate	4.79
methyl lactate	21.3
butyl lactate	13.33
diethyl carbonate	4.73
propanediol butyl ether	38.79
triethyl orthoformate	5.87
p-tert-butyltoluene	2.95
methyl 4-tert-butylbenzoate	16.68
morpholine	64.48
tert-butylamine	17.9
n-dodecanol	5.4
dimethoxymethane	21.7
ethylene carbonate	20.92
cyrene	37.14
2-ethoxyethyl acetate	9.01
2-ethylhexyl acetate	4.82
1,2,4-trichlorobenzene	12.66
4-methylpyridine	22.11
dibutyl ether	3.67
2,6-dimethyl-4-heptanol	4.94
DEF	18.37
dimethyl isosorbide	35.32
tetrachloroethylene	21.23
eugenol	25.46
triacetin	11.94
span 80	28.96
1,4-butanediol	67.08
1,1-dichloroethane	8.14
2-methyl-1-pentanol	23.95
methyl formate	50.97
2-methyl-1-butanol	32.79
n-decane	0.65
butyronitrile	18.49
3,7-dimethyl-1-octanol	9.38
1-chlorooctane	2.7
1-chlorotetradecane	1.33
n-nonane	0.56
undecane	0.52
tert-butylcyclohexane	0.79
cyclooctane	0.43
cyclopentanol	46.19
tetrahydropyran	18.37
tert-amyl methyl ether	6.7
2,5,8-trioxanonane	42.96
1-hexene	1.9
2-isopropoxyethanol	30.2
2,2,2-trifluoroethanol	44.17
methyl butyrate	8.41

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