Molecular formula
C11H21O5-

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

Safety labels

Fragrance
Fatty	68.38%
Cheesy	65.34%
Fruity	55.06%
Dairy	48.79%
Sour	48.61%
Waxy	37.44%
Creamy	37.29%
Buttery	37.19%
Milky	37.16%
Sweaty	35.41%

 

Flavor
Cheese	53.9%
Sour	43.22%
Fatty	42.7%
Sweat	42.53%
Rancid	37.53%
Acidic	34.15%
Fruity	33.42%
Cheesy	30.38%
Oily	30.05%
Sweaty	27.88%

 

Odor impact est.
Medium

pKa est.
7.49 (neutral)

Molecular weight
233.28 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
267°C

Flash point

• 127.36 ˚C est.

• Glycerides, palm-oil mono- and di-, hydrogenated, 3-oxooctanoates

1-Hydroxypropan-2-olate;3-oxooctanoic acid is typically used as an intermediate in organic synthesis, providing a building block for beta-keto esters and lactate-derived derivatives; in industry, it may serve as a precursor for pharmaceuticals and agrochemicals, as well as a feedstock for specialty polymers or coating systems, and can function as a processing aid or additive in various formulation contexts.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	636.63
methanol	1018.12
isopropanol	328.53
water	9.29
ethyl acetate	129.64
n-propanol	330.38
acetone	471.12
n-butanol	297.18
acetonitrile	102.35
DMF	1452.49
toluene	17.98
isobutanol	235.13
1,4-dioxane	229.95
methyl acetate	117.25
THF	914.12
2-butanone	172.0
n-pentanol	194.59
sec-butanol	188.92
n-hexane	8.97
ethylene glycol	453.28
NMP	1019.49
cyclohexane	5.42
DMSO	1831.28
n-butyl acetate	120.87
n-octanol	71.02
chloroform	68.03
n-propyl acetate	86.33
acetic acid	680.68
dichloromethane	58.17
cyclohexanone	347.39
propylene glycol	582.24
isopropyl acetate	107.1
DMAc	696.92
2-ethoxyethanol	363.82
isopentanol	262.92
n-heptane	3.92
ethyl formate	131.95
1,2-dichloroethane	73.88
n-hexanol	196.8
2-methoxyethanol	930.59
isobutyl acetate	71.03
tetrachloromethane	14.2
n-pentyl acetate	64.46
transcutol	960.54
n-heptanol	70.04
ethylbenzene	18.76
MIBK	159.9
2-propoxyethanol	439.69
tert-butanol	479.99
MTBE	105.82
2-butoxyethanol	183.66
propionic acid	321.95
o-xylene	25.5
formic acid	409.23
diethyl ether	56.52
m-xylene	34.91
p-xylene	25.39
chlorobenzene	36.31
dimethyl carbonate	89.83
n-octane	1.69
formamide	423.71
cyclopentanone	595.79
2-pentanone	200.14
anisole	79.47
cyclopentyl methyl ether	241.88
gamma-butyrolactone	650.09
1-methoxy-2-propanol	659.85
pyridine	102.69
3-pentanone	84.39
furfural	441.71
n-dodecane	1.92
diethylene glycol	493.66
diisopropyl ether	27.69
tert-amyl alcohol	276.55
acetylacetone	307.36
n-hexadecane	2.21
acetophenone	98.39
methyl propionate	146.44
isopentyl acetate	128.49
trichloroethylene	148.44
n-nonanol	59.54
cyclohexanol	210.76
benzyl alcohol	115.33
2-ethylhexanol	83.21
isooctanol	58.77
dipropyl ether	53.02
1,2-dichlorobenzene	47.65
ethyl lactate	103.45
propylene carbonate	282.02
n-methylformamide	554.55
2-pentanol	150.7
n-pentane	4.49
1-propoxy-2-propanol	295.88
1-methoxy-2-propyl acetate	191.77
2-(2-methoxypropoxy) propanol	226.23
mesitylene	28.4
ε-caprolactone	287.47
p-cymene	21.75
epichlorohydrin	442.4
1,1,1-trichloroethane	62.87
2-aminoethanol	623.78
morpholine-4-carbaldehyde	651.48
sulfolane	1005.44
2,2,4-trimethylpentane	5.44
2-methyltetrahydrofuran	348.63
n-hexyl acetate	120.46
isooctane	6.39
2-(2-butoxyethoxy)ethanol	324.88
sec-butyl acetate	60.6
tert-butyl acetate	172.62
decalin	7.29
glycerin	708.09
diglyme	455.76
acrylic acid	324.75
isopropyl myristate	43.23
n-butyric acid	383.51
acetyl acetate	91.51
di(2-ethylhexyl) phthalate	67.99
ethyl propionate	80.79
nitromethane	655.91
1,2-diethoxyethane	107.77
benzonitrile	93.33
trioctyl phosphate	50.13
1-bromopropane	28.37
gamma-valerolactone	695.28
n-decanol	42.45
triethyl phosphate	49.92
4-methyl-2-pentanol	107.21
propionitrile	89.89
vinylene carbonate	198.95
1,1,2-trichlorotrifluoroethane	422.6
DMS	101.89
cumene	22.12
2-octanol	42.94
2-hexanone	120.13
octyl acetate	61.14
limonene	33.06
1,2-dimethoxyethane	420.29
ethyl orthosilicate	46.55
tributyl phosphate	64.15
diacetone alcohol	403.48
N,N-dimethylaniline	74.09
acrylonitrile	136.76
aniline	75.57
1,3-propanediol	620.45
bromobenzene	26.79
dibromomethane	38.17
1,1,2,2-tetrachloroethane	143.26
2-methyl-cyclohexyl acetate	82.39
tetrabutyl urea	92.65
diisobutyl methanol	52.43
2-phenylethanol	110.67
styrene	19.93
dioctyl adipate	87.09
dimethyl sulfate	220.93
ethyl butyrate	75.48
methyl lactate	215.2
butyl lactate	111.29
diethyl carbonate	53.57
propanediol butyl ether	293.08
triethyl orthoformate	60.85
p-tert-butyltoluene	22.99
methyl 4-tert-butylbenzoate	125.54
morpholine	438.5
tert-butylamine	186.7
n-dodecanol	30.15
dimethoxymethane	379.19
ethylene carbonate	165.21
cyrene	228.47
2-ethoxyethyl acetate	102.91
2-ethylhexyl acetate	81.4
1,2,4-trichlorobenzene	67.44
4-methylpyridine	126.81
dibutyl ether	41.37
2,6-dimethyl-4-heptanol	52.43
DEF	264.86
dimethyl isosorbide	356.27
tetrachloroethylene	88.26
eugenol	141.75
triacetin	133.24
span 80	196.82
1,4-butanediol	230.4
1,1-dichloroethane	54.91
2-methyl-1-pentanol	160.71
methyl formate	320.15
2-methyl-1-butanol	203.89
n-decane	2.89
butyronitrile	121.18
3,7-dimethyl-1-octanol	76.82
1-chlorooctane	18.1
1-chlorotetradecane	7.93
n-nonane	2.65
undecane	2.31
tert-butylcyclohexane	9.43
cyclooctane	2.41
cyclopentanol	348.88
tetrahydropyran	167.59
tert-amyl methyl ether	89.73
2,5,8-trioxanonane	344.32
1-hexene	32.39
2-isopropoxyethanol	221.1
2,2,2-trifluoroethanol	185.09
methyl butyrate	126.38

Scent© AI