Molecular formula
C11H21O6-

SMILES
CCCCCC(=O)CC(=O)[O-].C(C(CO)O)O

Fragrance
Fatty	57.85%
Cheesy	43.36%
Fruity	42.57%
Dairy	36.29%
Buttery	33.12%
Sour	31.97%
Creamy	31.24%
Milky	30.44%
Oily	27.73%
Waxy	27.54%

 

Flavor
Fruity	42.56%
Cheese	37.09%
Sour	28.53%
Fatty	28.18%
Oily	26.42%
Sweat	25.11%
Acidic	23.56%
Herbal	23.53%
Animal	21.22%
Odorless	20.9%

 

Odor impact est.
Medium

pKa est.
4.76 (weak acid)

Molecular weight
249.28 g/mol

Flash point

• 94.3 ˚C est.

3-oxooctanoate;propane-1,2,3-triol (glycerol triester of 3-oxooctanoic acid) is typically used as a plasticizer for polymers and coatings to impart flexibility; it also serves as a solvent and processing aid in industrial formulations, and as an emollient and humectant in cosmetics and personal care products; it may be included in cleaning formulations and household products, and functions as an intermediate in organic synthesis, with potential as a lubricant or processing aid in broader industrial applications.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	644.16
methanol	925.58
isopropanol	343.89
water	3.4
ethyl acetate	227.64
n-propanol	325.0
acetone	731.85
n-butanol	309.08
acetonitrile	225.6
DMF	1787.4
toluene	50.15
isobutanol	214.72
1,4-dioxane	369.06
methyl acetate	231.05
THF	1123.2
2-butanone	301.16
n-pentanol	179.73
sec-butanol	201.17
n-hexane	11.69
ethylene glycol	331.74
NMP	1351.01
cyclohexane	9.88
DMSO	2207.63
n-butyl acetate	160.02
n-octanol	72.28
chloroform	230.5
n-propyl acetate	120.11
acetic acid	706.91
dichloromethane	241.74
cyclohexanone	504.06
propylene glycol	418.08
isopropyl acetate	149.96
DMAc	905.4
2-ethoxyethanol	358.89
isopentanol	247.76
n-heptane	4.61
ethyl formate	185.03
1,2-dichloroethane	247.55
n-hexanol	175.82
2-methoxyethanol	914.27
isobutyl acetate	83.89
tetrachloromethane	30.14
n-pentyl acetate	83.62
transcutol	1365.6
n-heptanol	60.03
ethylbenzene	40.16
MIBK	201.01
2-propoxyethanol	416.82
tert-butanol	428.24
MTBE	142.34
2-butoxyethanol	171.44
propionic acid	346.84
o-xylene	52.62
formic acid	385.98
diethyl ether	118.65
m-xylene	66.89
p-xylene	48.28
chlorobenzene	104.85
dimethyl carbonate	138.62
n-octane	2.04
formamide	514.06
cyclopentanone	826.16
2-pentanone	303.72
anisole	144.48
cyclopentyl methyl ether	322.96
gamma-butyrolactone	868.75
1-methoxy-2-propanol	671.0
pyridine	247.78
3-pentanone	154.42
furfural	661.22
n-dodecane	2.35
diethylene glycol	485.06
diisopropyl ether	40.41
tert-amyl alcohol	259.12
acetylacetone	457.91
n-hexadecane	2.79
acetophenone	158.71
methyl propionate	240.74
isopentyl acetate	156.64
trichloroethylene	444.95
n-nonanol	60.09
cyclohexanol	239.55
benzyl alcohol	162.67
2-ethylhexanol	82.08
isooctanol	50.96
dipropyl ether	64.32
1,2-dichlorobenzene	119.92
ethyl lactate	117.43
propylene carbonate	383.4
n-methylformamide	646.21
2-pentanol	158.55
n-pentane	7.28
1-propoxy-2-propanol	290.49
1-methoxy-2-propyl acetate	248.91
2-(2-methoxypropoxy) propanol	277.22
mesitylene	46.88
ε-caprolactone	407.87
p-cymene	32.4
epichlorohydrin	722.48
1,1,1-trichloroethane	177.48
2-aminoethanol	473.56
morpholine-4-carbaldehyde	842.22
sulfolane	1383.52
2,2,4-trimethylpentane	6.77
2-methyltetrahydrofuran	478.34
n-hexyl acetate	160.96
isooctane	7.41
2-(2-butoxyethoxy)ethanol	377.27
sec-butyl acetate	85.1
tert-butyl acetate	224.29
decalin	11.61
glycerin	557.15
diglyme	555.34
acrylic acid	374.43
isopropyl myristate	55.92
n-butyric acid	418.82
acetyl acetate	157.65
di(2-ethylhexyl) phthalate	82.66
ethyl propionate	122.51
nitromethane	958.85
1,2-diethoxyethane	166.37
benzonitrile	166.91
trioctyl phosphate	54.45
1-bromopropane	89.73
gamma-valerolactone	926.7
n-decanol	44.1
triethyl phosphate	65.28
4-methyl-2-pentanol	99.35
propionitrile	157.72
vinylene carbonate	294.69
1,1,2-trichlorotrifluoroethane	568.63
DMS	166.71
cumene	35.2
2-octanol	40.75
2-hexanone	162.33
octyl acetate	76.2
limonene	49.78
1,2-dimethoxyethane	483.48
ethyl orthosilicate	59.14
tributyl phosphate	78.35
diacetone alcohol	454.35
N,N-dimethylaniline	114.14
acrylonitrile	254.36
aniline	151.57
1,3-propanediol	523.13
bromobenzene	89.54
dibromomethane	142.64
1,1,2,2-tetrachloroethane	383.53
2-methyl-cyclohexyl acetate	104.56
tetrabutyl urea	110.56
diisobutyl methanol	54.39
2-phenylethanol	145.91
styrene	49.46
dioctyl adipate	116.46
dimethyl sulfate	327.35
ethyl butyrate	100.31
methyl lactate	260.05
butyl lactate	128.16
diethyl carbonate	76.24
propanediol butyl ether	296.9
triethyl orthoformate	77.43
p-tert-butyltoluene	34.0
methyl 4-tert-butylbenzoate	159.3
morpholine	612.32
tert-butylamine	191.96
n-dodecanol	32.33
dimethoxymethane	497.9
ethylene carbonate	229.34
cyrene	267.29
2-ethoxyethyl acetate	158.41
2-ethylhexyl acetate	103.81
1,2,4-trichlorobenzene	157.88
4-methylpyridine	277.37
dibutyl ether	59.8
2,6-dimethyl-4-heptanol	54.39
DEF	371.59
dimethyl isosorbide	434.61
tetrachloroethylene	207.01
eugenol	175.82
triacetin	202.38
span 80	219.81
1,4-butanediol	175.15
1,1-dichloroethane	180.75
2-methyl-1-pentanol	151.67
methyl formate	410.9
2-methyl-1-butanol	202.83
n-decane	3.65
butyronitrile	182.08
3,7-dimethyl-1-octanol	85.54
1-chlorooctane	26.71
1-chlorotetradecane	10.75
n-nonane	3.36
undecane	2.9
tert-butylcyclohexane	12.23
cyclooctane	3.66
cyclopentanol	366.26
tetrahydropyran	296.18
tert-amyl methyl ether	122.46
2,5,8-trioxanonane	434.11
1-hexene	50.89
2-isopropoxyethanol	205.72
2,2,2-trifluoroethanol	207.29
methyl butyrate	178.51

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