Molecular formula
C8H13O4-

SMILES
CCOC(=O)CCCCC(=O)[O-]

Fragrance
Fruity	61.45%
Winey	40.19%
Fatty	36.82%
Buttery	33.57%
Sweet	32.96%
Caramellic	32.16%
Odorless	28.56%
Oily	27.89%
Sour	27.87%
Creamy	27.2%

 

Flavor
Fruity	74.78%
Pineapple	39.28%
Cheese	38.26%
Sweet	37.79%
Berry	35.57%
Grape	35.29%
Fruit	30.48%
Creamy	29.23%
Tropical	29.1%
Butter	29.06%

 

Odor impact est.
Medium

XLogP3-AA
1.3

pKa est.
5.19 (weak acid)

Molecular weight
173.19 g/mol

Flash point

• 123.82 ˚C est.

• 6-ethoxy-6-oxohexanoate
• Mono-ethyl adipate
• UZNLHJCCGYKCIL-UHFFFAOYSA-M
• AKOS024438000

6-Ethoxy-6-oxohexanoate is a functional ester-containing compound with a ketone and ester functionality that is commonly used as an intermediate in organic synthesis and as a building block for specialty polymers. It may serve as a solvent or co-solvent in industrial manufacturing; act as a precursor for polyesters and for coatings and inks as a reactive diluent or additive. The material may be evaluated for fragrance and flavor formulations in perfumery and food-related contexts, while also being considered as an intermediate in pharmaceutical or agrochemical syntheses. It can also find use in cleaning formulations as a solvent or formulation component, subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	245.24
methanol	430.9
isopropanol	180.84
water	3.91
ethyl acetate	116.46
n-propanol	154.29
acetone	341.68
n-butanol	130.38
acetonitrile	241.74
DMF	960.85
toluene	42.62
isobutanol	111.72
1,4-dioxane	328.66
methyl acetate	157.13
THF	311.11
2-butanone	184.24
n-pentanol	126.26
sec-butanol	137.87
n-hexane	9.05
ethylene glycol	91.07
NMP	474.62
cyclohexane	9.57
DMSO	915.44
n-butyl acetate	73.8
n-octanol	62.98
chloroform	242.76
n-propyl acetate	80.94
acetic acid	424.84
dichloromethane	276.72
cyclohexanone	211.34
propylene glycol	96.09
isopropyl acetate	72.05
DMAc	675.3
2-ethoxyethanol	274.22
isopentanol	112.69
n-heptane	3.54
ethyl formate	147.23
1,2-dichloroethane	198.15
n-hexanol	83.22
2-methoxyethanol	452.0
isobutyl acetate	50.86
tetrachloromethane	20.57
n-pentyl acetate	62.75
transcutol	450.2
n-heptanol	41.49
ethylbenzene	38.41
MIBK	86.11
2-propoxyethanol	192.76
tert-butanol	253.32
MTBE	114.96
2-butoxyethanol	100.67
propionic acid	175.63
o-xylene	44.57
formic acid	221.94
diethyl ether	97.72
m-xylene	34.89
p-xylene	51.63
chlorobenzene	87.83
dimethyl carbonate	61.43
n-octane	3.52
formamide	267.68
cyclopentanone	252.93
2-pentanone	133.78
anisole	115.74
cyclopentyl methyl ether	95.27
gamma-butyrolactone	300.38
1-methoxy-2-propanol	268.18
pyridine	195.03
3-pentanone	93.48
furfural	374.85
n-dodecane	5.05
diethylene glycol	206.24
diisopropyl ether	22.78
tert-amyl alcohol	182.62
acetylacetone	195.83
n-hexadecane	5.58
acetophenone	126.71
methyl propionate	109.14
isopentyl acetate	70.57
trichloroethylene	304.46
n-nonanol	56.17
cyclohexanol	111.75
benzyl alcohol	127.4
2-ethylhexanol	44.87
isooctanol	35.2
dipropyl ether	35.87
1,2-dichlorobenzene	92.81
ethyl lactate	69.53
propylene carbonate	154.91
n-methylformamide	357.32
2-pentanol	77.04
n-pentane	6.46
1-propoxy-2-propanol	111.25
1-methoxy-2-propyl acetate	94.7
2-(2-methoxypropoxy) propanol	147.19
mesitylene	25.73
ε-caprolactone	185.31
p-cymene	21.97
epichlorohydrin	312.27
1,1,1-trichloroethane	112.95
2-aminoethanol	151.33
morpholine-4-carbaldehyde	479.89
sulfolane	476.93
2,2,4-trimethylpentane	6.57
2-methyltetrahydrofuran	169.84
n-hexyl acetate	103.34
isooctane	4.09
2-(2-butoxyethoxy)ethanol	189.34
sec-butyl acetate	51.91
tert-butyl acetate	97.4
decalin	9.99
glycerin	170.11
diglyme	280.09
acrylic acid	182.74
isopropyl myristate	42.17
n-butyric acid	178.17
acetyl acetate	90.74
di(2-ethylhexyl) phthalate	56.48
ethyl propionate	77.08
nitromethane	639.32
1,2-diethoxyethane	111.75
benzonitrile	144.23
trioctyl phosphate	37.74
1-bromopropane	89.23
gamma-valerolactone	413.42
n-decanol	42.89
triethyl phosphate	43.97
4-methyl-2-pentanol	50.15
propionitrile	135.48
vinylene carbonate	164.26
1,1,2-trichlorotrifluoroethane	281.18
DMS	85.61
cumene	29.15
2-octanol	37.81
2-hexanone	110.02
octyl acetate	57.02
limonene	30.82
1,2-dimethoxyethane	405.42
ethyl orthosilicate	39.96
tributyl phosphate	49.32
diacetone alcohol	164.18
N,N-dimethylaniline	92.52
acrylonitrile	214.63
aniline	85.74
1,3-propanediol	205.19
bromobenzene	76.95
dibromomethane	163.06
1,1,2,2-tetrachloroethane	246.83
2-methyl-cyclohexyl acetate	61.66
tetrabutyl urea	74.39
diisobutyl methanol	30.86
2-phenylethanol	84.25
styrene	51.92
dioctyl adipate	70.25
dimethyl sulfate	150.55
ethyl butyrate	57.74
methyl lactate	100.98
butyl lactate	69.66
diethyl carbonate	45.86
propanediol butyl ether	140.12
triethyl orthoformate	45.41
p-tert-butyltoluene	22.65
methyl 4-tert-butylbenzoate	106.73
morpholine	357.17
tert-butylamine	116.14
n-dodecanol	33.4
dimethoxymethane	247.72
ethylene carbonate	120.48
cyrene	151.19
2-ethoxyethyl acetate	94.24
2-ethylhexyl acetate	51.58
1,2,4-trichlorobenzene	107.47
4-methylpyridine	205.47
dibutyl ether	53.13
2,6-dimethyl-4-heptanol	30.86
DEF	220.85
dimethyl isosorbide	191.03
tetrachloroethylene	142.31
eugenol	119.11
triacetin	113.75
span 80	120.3
1,4-butanediol	107.3
1,1-dichloroethane	140.8
2-methyl-1-pentanol	106.13
methyl formate	254.43
2-methyl-1-butanol	102.06
n-decane	7.23
butyronitrile	133.25
3,7-dimethyl-1-octanol	58.78
1-chlorooctane	31.31
1-chlorotetradecane	15.32
n-nonane	6.25
undecane	5.94
tert-butylcyclohexane	9.22
cyclooctane	3.12
cyclopentanol	126.08
tetrahydropyran	173.27
tert-amyl methyl ether	91.92
2,5,8-trioxanonane	243.71
1-hexene	41.8
2-isopropoxyethanol	159.64
2,2,2-trifluoroethanol	130.15
methyl butyrate	116.33

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