Molecular formula
C7H12O5

SMILES
CC(=O)C(C(CO)O)OC(=O)C

Fragrance
Buttery	49.33%
Caramellic	45.21%
Fruity	44.21%
Sweet	42.19%
Odorless	38.66%
Creamy	36.91%
Milky	34.02%
Dairy	24.68%
Lactonic	21.64%
Fatty	21.64%

 

Flavor
Odorless	49.24%
Fruity	45.46%
Creamy	35.91%
Buttery	33.35%
Very mild	29.02%
Sweet	27.55%
Sour	26.06%
Mild	24.77%
Sweet-like	23.61%
Caramellic	21.49%

 

Odor impact est.
Low

XLogP3-AA
-1.4

pKa est.
6.85 (neutral)

Molecular weight
176.17 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
315°C

Flash point

• 146.56 ˚C est.

• SCHEMBL396999

(1,2-Dihydroxy-4-oxopentan-3-yl) acetate is primarily used as an organic synthesis intermediate, serving as a building block for specialty chemicals and functionalized monomers used in polymers and plastics. It can function as a processing aid in coatings, inks, and adhesives, where its acetate functionality enables controlled reactivity in formulations. In pharmaceutical and agrochemical synthesis routes, it is encountered as a reactive intermediate and may play a role in the preparation of more complex molecules. It may be evaluated for cosmetic/personal care formulations as a precursor to advanced ingredients, and can also act as a solvent or co-solvent component in certain industrial cleaning or formulation processes. Use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	142.6
methanol	325.58
isopropanol	89.68
water	358.34
ethyl acetate	22.26
n-propanol	91.51
acetone	71.25
n-butanol	65.42
acetonitrile	45.13
DMF	579.77
toluene	6.42
isobutanol	56.02
1,4-dioxane	138.94
methyl acetate	32.74
THF	104.76
2-butanone	37.88
n-pentanol	44.15
sec-butanol	63.06
n-hexane	2.76
ethylene glycol	276.08
NMP	335.58
cyclohexane	3.79
DMSO	799.19
n-butyl acetate	11.08
n-octanol	21.76
chloroform	18.18
n-propyl acetate	13.55
acetic acid	83.01
dichloromethane	44.97
cyclohexanone	60.41
propylene glycol	145.41
isopropyl acetate	12.43
DMAc	434.16
2-ethoxyethanol	166.39
isopentanol	43.97
n-heptane	2.82
ethyl formate	65.58
1,2-dichloroethane	42.41
n-hexanol	28.32
2-methoxyethanol	321.08
isobutyl acetate	8.13
tetrachloromethane	4.1
n-pentyl acetate	9.35
transcutol	82.22
n-heptanol	18.29
ethylbenzene	7.87
MIBK	17.8
2-propoxyethanol	87.77
tert-butanol	89.76
MTBE	26.68
2-butoxyethanol	45.56
propionic acid	56.42
o-xylene	11.96
formic acid	267.24
diethyl ether	22.33
m-xylene	8.62
p-xylene	9.01
chlorobenzene	8.5
dimethyl carbonate	28.01
n-octane	1.66
formamide	247.09
cyclopentanone	74.81
2-pentanone	26.57
anisole	26.59
cyclopentyl methyl ether	28.05
gamma-butyrolactone	105.01
1-methoxy-2-propanol	152.61
pyridine	33.93
3-pentanone	22.66
furfural	142.84
n-dodecane	1.66
diethylene glycol	158.25
diisopropyl ether	5.89
tert-amyl alcohol	63.34
acetylacetone	38.29
n-hexadecane	1.77
acetophenone	31.15
methyl propionate	33.62
isopentyl acetate	11.15
trichloroethylene	34.35
n-nonanol	18.8
cyclohexanol	45.34
benzyl alcohol	43.79
2-ethylhexanol	16.32
isooctanol	15.17
dipropyl ether	14.2
1,2-dichlorobenzene	12.46
ethyl lactate	32.67
propylene carbonate	49.39
n-methylformamide	239.65
2-pentanol	29.95
n-pentane	2.95
1-propoxy-2-propanol	45.68
1-methoxy-2-propyl acetate	23.11
2-(2-methoxypropoxy) propanol	52.07
mesitylene	7.01
ε-caprolactone	58.35
p-cymene	6.95
epichlorohydrin	102.02
1,1,1-trichloroethane	10.54
2-aminoethanol	226.51
morpholine-4-carbaldehyde	275.19
sulfolane	224.6
2,2,4-trimethylpentane	2.03
2-methyltetrahydrofuran	50.92
n-hexyl acetate	15.69
isooctane	1.22
2-(2-butoxyethoxy)ethanol	54.41
sec-butyl acetate	8.35
tert-butyl acetate	15.84
decalin	2.84
glycerin	277.88
diglyme	108.67
acrylic acid	66.48
isopropyl myristate	8.49
n-butyric acid	46.16
acetyl acetate	14.76
di(2-ethylhexyl) phthalate	15.66
ethyl propionate	17.06
nitromethane	139.15
1,2-diethoxyethane	20.29
benzonitrile	28.07
trioctyl phosphate	13.01
1-bromopropane	15.78
gamma-valerolactone	152.1
n-decanol	14.82
triethyl phosphate	15.93
4-methyl-2-pentanol	16.51
propionitrile	34.52
vinylene carbonate	53.84
1,1,2-trichlorotrifluoroethane	114.08
DMS	17.98
cumene	7.63
2-octanol	11.92
2-hexanone	18.54
octyl acetate	12.25
limonene	10.06
1,2-dimethoxyethane	207.54
ethyl orthosilicate	14.12
tributyl phosphate	12.21
diacetone alcohol	46.55
N,N-dimethylaniline	31.19
acrylonitrile	55.67
aniline	21.92
1,3-propanediol	180.71
bromobenzene	6.42
dibromomethane	23.27
1,1,2,2-tetrachloroethane	36.06
2-methyl-cyclohexyl acetate	16.34
tetrabutyl urea	24.47
diisobutyl methanol	10.54
2-phenylethanol	25.92
styrene	7.65
dioctyl adipate	17.73
dimethyl sulfate	78.02
ethyl butyrate	14.31
methyl lactate	65.46
butyl lactate	17.71
diethyl carbonate	12.25
propanediol butyl ether	49.15
triethyl orthoformate	14.85
p-tert-butyltoluene	6.79
methyl 4-tert-butylbenzoate	32.75
morpholine	149.27
tert-butylamine	39.39
n-dodecanol	11.88
dimethoxymethane	158.8
ethylene carbonate	41.24
cyrene	85.56
2-ethoxyethyl acetate	14.64
2-ethylhexyl acetate	8.75
1,2,4-trichlorobenzene	14.53
4-methylpyridine	39.56
dibutyl ether	10.22
2,6-dimethyl-4-heptanol	10.54
DEF	95.68
dimethyl isosorbide	68.72
tetrachloroethylene	22.82
eugenol	40.75
triacetin	21.62
span 80	35.66
1,4-butanediol	108.41
1,1-dichloroethane	16.58
2-methyl-1-pentanol	34.31
methyl formate	184.67
2-methyl-1-butanol	47.21
n-decane	2.38
butyronitrile	33.69
3,7-dimethyl-1-octanol	18.12
1-chlorooctane	7.61
1-chlorotetradecane	3.76
n-nonane	2.25
undecane	1.94
tert-butylcyclohexane	2.42
cyclooctane	1.95
cyclopentanol	58.39
tetrahydropyran	43.08
tert-amyl methyl ether	26.72
2,5,8-trioxanonane	90.32
1-hexene	7.16
2-isopropoxyethanol	76.17
2,2,2-trifluoroethanol	65.08
methyl butyrate	29.24

Scent© AI