Molecular formula
C8H8O4

SMILES
CC1=CC(=O)C(=C(O1)O)C(=O)C

Fragrance
Odorless	51.06%
Burnt	36.09%
Caramellic	35.97%
Nutty	27.22%
Roasted	26.48%
Phenolic	25.86%
Fruity	25.29%
Sweet	22.61%
Sour	20.0%
Dry	19.61%

 

Flavor
Sweet	37.48%
Nutty	33.58%
Phenolic	32.57%
Caramel	29.97%
Musty	29.3%
Fruity	25.08%
Burnt	24.87%
Tobacco	24.7%
Creamy	23.54%
Woody	22.88%

 

Odor impact est.
Medium

XLogP3-AA
0.8

pKa est.
6.86 (neutral)

Molecular weight
168.15 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
341°C

Flash point

• 134.76 ˚C est.

3-acetyl-2-hydroxy-6-methylpyran-4-one is used in perfumery and personal care as a fragrance ingredient and odorant, contributing fruity notes and functioning as a fragrance intermediate in formulations. It may be evaluated as a flavor/aroma precursor in flavor formulation research. As an industrial intermediate, it can be used as a building block in organic synthesis for specialty chemicals, including potential pharmaceutical or agrochemical development. In household products, it can serve as a scent component in cleaners and detergents. In research and materials development, it is sometimes used as a reactive intermediate in pilot syntheses.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	58.06
methanol	76.83
isopropanol	46.91
water	9.28
ethyl acetate	173.32
n-propanol	43.65
acetone	268.56
n-butanol	43.64
acetonitrile	224.38
DMF	536.87
toluene	11.76
isobutanol	34.0
1,4-dioxane	250.19
methyl acetate	168.09
THF	433.47
2-butanone	86.89
n-pentanol	37.0
sec-butanol	32.9
n-hexane	3.34
ethylene glycol	56.86
NMP	446.01
cyclohexane	2.59
DMSO	349.75
n-butyl acetate	59.65
n-octanol	30.65
chloroform	37.64
n-propyl acetate	97.66
acetic acid	191.49
dichloromethane	57.21
cyclohexanone	125.48
propylene glycol	57.14
isopropyl acetate	98.26
DMAc	339.71
2-ethoxyethanol	130.08
isopentanol	40.85
n-heptane	3.43
ethyl formate	198.58
1,2-dichloroethane	47.98
n-hexanol	36.59
2-methoxyethanol	277.3
isobutyl acetate	50.1
tetrachloromethane	6.54
n-pentyl acetate	39.21
transcutol	215.22
n-heptanol	18.75
ethylbenzene	11.46
MIBK	75.64
2-propoxyethanol	153.51
tert-butanol	76.28
MTBE	41.22
2-butoxyethanol	59.74
propionic acid	93.89
o-xylene	13.28
formic acid	121.34
diethyl ether	51.54
m-xylene	16.66
p-xylene	16.64
chlorobenzene	25.14
dimethyl carbonate	176.14
n-octane	1.84
formamide	219.47
cyclopentanone	239.14
2-pentanone	113.69
anisole	61.11
cyclopentyl methyl ether	114.39
gamma-butyrolactone	458.18
1-methoxy-2-propanol	221.1
pyridine	68.75
3-pentanone	59.18
furfural	373.0
n-dodecane	2.94
diethylene glycol	183.54
diisopropyl ether	19.8
tert-amyl alcohol	42.44
acetylacetone	280.25
n-hexadecane	3.38
acetophenone	66.35
methyl propionate	150.46
isopentyl acetate	45.02
trichloroethylene	78.37
n-nonanol	28.76
cyclohexanol	41.52
benzyl alcohol	51.01
2-ethylhexanol	25.62
isooctanol	16.45
dipropyl ether	38.39
1,2-dichlorobenzene	29.83
ethyl lactate	91.79
propylene carbonate	270.94
n-methylformamide	272.53
2-pentanol	31.32
n-pentane	2.55
1-propoxy-2-propanol	92.81
1-methoxy-2-propyl acetate	122.47
2-(2-methoxypropoxy) propanol	94.59
mesitylene	12.88
ε-caprolactone	150.81
p-cymene	12.26
epichlorohydrin	299.78
1,1,1-trichloroethane	46.38
2-aminoethanol	64.54
morpholine-4-carbaldehyde	421.1
sulfolane	437.42
2,2,4-trimethylpentane	2.51
2-methyltetrahydrofuran	155.4
n-hexyl acetate	64.5
isooctane	2.4
2-(2-butoxyethoxy)ethanol	123.09
sec-butyl acetate	53.7
tert-butyl acetate	101.86
decalin	4.32
glycerin	118.86
diglyme	204.66
acrylic acid	113.36
isopropyl myristate	31.55
n-butyric acid	114.84
acetyl acetate	175.23
di(2-ethylhexyl) phthalate	36.59
ethyl propionate	111.09
nitromethane	615.61
1,2-diethoxyethane	62.02
benzonitrile	68.11
trioctyl phosphate	30.38
1-bromopropane	20.11
gamma-valerolactone	416.48
n-decanol	23.88
triethyl phosphate	44.26
4-methyl-2-pentanol	26.31
propionitrile	93.58
vinylene carbonate	235.07
1,1,2-trichlorotrifluoroethane	177.99
DMS	94.06
cumene	11.73
2-octanol	16.68
2-hexanone	72.24
octyl acetate	41.31
limonene	17.13
1,2-dimethoxyethane	287.34
ethyl orthosilicate	37.38
tributyl phosphate	38.82
diacetone alcohol	149.53
N,N-dimethylaniline	43.74
acrylonitrile	148.67
aniline	36.66
1,3-propanediol	95.66
bromobenzene	18.3
dibromomethane	27.33
1,1,2,2-tetrachloroethane	59.46
2-methyl-cyclohexyl acetate	47.25
tetrabutyl urea	52.43
diisobutyl methanol	20.95
2-phenylethanol	50.89
styrene	12.14
dioctyl adipate	54.22
dimethyl sulfate	257.52
ethyl butyrate	67.32
methyl lactate	167.12
butyl lactate	48.5
diethyl carbonate	58.74
propanediol butyl ether	70.85
triethyl orthoformate	49.18
p-tert-butyltoluene	12.66
methyl 4-tert-butylbenzoate	73.62
morpholine	216.86
tert-butylamine	32.49
n-dodecanol	19.91
dimethoxymethane	354.09
ethylene carbonate	191.27
cyrene	133.21
2-ethoxyethyl acetate	70.44
2-ethylhexyl acetate	33.46
1,2,4-trichlorobenzene	35.62
4-methylpyridine	84.81
dibutyl ether	31.23
2,6-dimethyl-4-heptanol	20.95
DEF	156.14
dimethyl isosorbide	199.58
tetrachloroethylene	29.33
eugenol	80.21
triacetin	86.81
span 80	74.33
1,4-butanediol	43.77
1,1-dichloroethane	41.78
2-methyl-1-pentanol	32.06
methyl formate	365.26
2-methyl-1-butanol	32.57
n-decane	3.97
butyronitrile	99.98
3,7-dimethyl-1-octanol	31.24
1-chlorooctane	15.11
1-chlorotetradecane	9.22
n-nonane	3.48
undecane	3.41
tert-butylcyclohexane	4.58
cyclooctane	1.54
cyclopentanol	68.79
tetrahydropyran	93.89
tert-amyl methyl ether	38.37
2,5,8-trioxanonane	168.65
1-hexene	12.53
2-isopropoxyethanol	82.77
2,2,2-trifluoroethanol	119.49
methyl butyrate	135.46

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