Molecular formula
C8H14O2

SMILES
C[C@@H](C(=O)C)C(=O)C(C)C

Fragrance
Fruity	89.61%
Ketonic	47.46%
Herbal	39.6%
Caramellic	34.68%
Ethereal	31.19%
Berry	30.1%
Cheesy	28.8%
Burnt	26.78%
Mint	25.96%
Apple	25.17%

 

Flavor
Fruity	51.98%
Cheese	35.1%
Berry	30.61%
Butter	26.31%
Tropical	26.04%
Creamy	23.55%
Buttery	23.31%
Roquefort cheese	21.66%
Sweet	21.52%
Pungent	21.51%

 

Odor impact est.
Medium

XLogP3-AA
1.4

pKa est.
8.37 (weak base)

Molecular weight
142.2 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Fast

Boiling point est.
188°C

Flash point

• 68.38 ˚C est.

(3S)-3,5-dimethylhexane-2,4-dione is regarded as a chiral building block and synthetic intermediate in pharmaceutical manufacture; it is also used as a precursor for fragrance and cosmetic ingredients and is evaluated as a flavor/aroma precursor in the food sector; it further serves as an intermediate for coatings and inks in specialty resin formulations; and it can act as a building block for specialty polymers and plastics. CAS number:

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1086.45
methanol	1531.69
isopropanol	1279.86
water	28.39
ethyl acetate	693.35
n-propanol	1102.5
acetone	978.28
n-butanol	980.07
acetonitrile	1069.39
DMF	1253.91
toluene	415.48
isobutanol	1034.49
1,4-dioxane	1392.69
methyl acetate	847.86
THF	1432.7
2-butanone	956.86
n-pentanol	691.17
sec-butanol	1204.96
n-hexane	242.87
ethylene glycol	337.26
NMP	1159.35
cyclohexane	198.01
DMSO	774.88
n-butyl acetate	468.29
n-octanol	462.93
chloroform	2338.27
n-propyl acetate	393.12
acetic acid	811.71
dichloromethane	1812.37
cyclohexanone	1178.94
propylene glycol	447.06
isopropyl acetate	474.88
DMAc	1069.12
2-ethoxyethanol	760.84
isopentanol	832.79
n-heptane	92.84
ethyl formate	587.67
1,2-dichloroethane	1010.83
n-hexanol	756.18
2-methoxyethanol	1216.25
isobutyl acetate	290.85
tetrachloromethane	635.09
n-pentyl acetate	382.45
transcutol	1080.28
n-heptanol	390.9
ethylbenzene	322.15
MIBK	477.4
2-propoxyethanol	888.73
tert-butanol	1489.55
MTBE	1056.02
2-butoxyethanol	532.2
propionic acid	805.76
o-xylene	371.98
formic acid	359.27
diethyl ether	804.56
m-xylene	349.82
p-xylene	441.55
chlorobenzene	597.92
dimethyl carbonate	229.2
n-octane	60.23
formamide	367.6
cyclopentanone	1206.15
2-pentanone	697.68
anisole	511.61
cyclopentyl methyl ether	792.28
gamma-butyrolactone	1243.06
1-methoxy-2-propanol	892.25
pyridine	747.97
3-pentanone	599.34
furfural	1068.95
n-dodecane	46.37
diethylene glycol	657.32
diisopropyl ether	297.12
tert-amyl alcohol	1246.03
acetylacetone	688.61
n-hexadecane	51.71
acetophenone	476.59
methyl propionate	544.63
isopentyl acetate	458.98
trichloroethylene	1847.44
n-nonanol	357.86
cyclohexanol	918.22
benzyl alcohol	476.55
2-ethylhexanol	410.85
isooctanol	310.33
dipropyl ether	335.19
1,2-dichlorobenzene	575.99
ethyl lactate	247.13
propylene carbonate	702.41
n-methylformamide	710.1
2-pentanol	772.96
n-pentane	179.41
1-propoxy-2-propanol	591.12
1-methoxy-2-propyl acetate	419.99
2-(2-methoxypropoxy) propanol	358.35
mesitylene	244.44
ε-caprolactone	1011.52
p-cymene	194.3
epichlorohydrin	1212.56
1,1,1-trichloroethane	1360.63
2-aminoethanol	596.46
morpholine-4-carbaldehyde	1112.83
sulfolane	1252.61
2,2,4-trimethylpentane	117.11
2-methyltetrahydrofuran	1238.84
n-hexyl acetate	622.82
isooctane	79.85
2-(2-butoxyethoxy)ethanol	479.97
sec-butyl acetate	328.18
tert-butyl acetate	532.94
decalin	137.6
glycerin	515.31
diglyme	854.69
acrylic acid	632.09
isopropyl myristate	208.05
n-butyric acid	868.6
acetyl acetate	461.96
di(2-ethylhexyl) phthalate	186.41
ethyl propionate	394.75
nitromethane	1071.4
1,2-diethoxyethane	466.27
benzonitrile	602.43
trioctyl phosphate	155.69
1-bromopropane	800.86
gamma-valerolactone	1341.92
n-decanol	244.66
triethyl phosphate	181.16
4-methyl-2-pentanol	402.75
propionitrile	812.16
vinylene carbonate	641.65
1,1,2-trichlorotrifluoroethane	872.55
DMS	382.95
cumene	253.34
2-octanol	327.67
2-hexanone	501.38
octyl acetate	271.23
limonene	271.49
1,2-dimethoxyethane	1034.38
ethyl orthosilicate	185.34
tributyl phosphate	174.17
diacetone alcohol	602.69
N,N-dimethylaniline	392.8
acrylonitrile	885.72
aniline	539.75
1,3-propanediol	821.73
bromobenzene	596.11
dibromomethane	1323.66
1,1,2,2-tetrachloroethane	1652.04
2-methyl-cyclohexyl acetate	297.91
tetrabutyl urea	211.92
diisobutyl methanol	220.28
2-phenylethanol	439.12
styrene	333.09
dioctyl adipate	241.82
dimethyl sulfate	400.29
ethyl butyrate	344.23
methyl lactate	344.57
butyl lactate	294.21
diethyl carbonate	237.09
propanediol butyl ether	481.42
triethyl orthoformate	243.95
p-tert-butyltoluene	198.48
methyl 4-tert-butylbenzoate	374.28
morpholine	1371.95
tert-butylamine	962.44
n-dodecanol	176.77
dimethoxymethane	653.76
ethylene carbonate	562.25
cyrene	365.59
2-ethoxyethyl acetate	423.22
2-ethylhexyl acetate	356.7
1,2,4-trichlorobenzene	661.1
4-methylpyridine	975.67
dibutyl ether	356.23
2,6-dimethyl-4-heptanol	220.28
DEF	786.87
dimethyl isosorbide	555.33
tetrachloroethylene	1126.45
eugenol	368.42
triacetin	385.19
span 80	337.01
1,4-butanediol	404.42
1,1-dichloroethane	1402.87
2-methyl-1-pentanol	623.61
methyl formate	571.35
2-methyl-1-butanol	903.8
n-decane	82.94
butyronitrile	815.4
3,7-dimethyl-1-octanol	355.66
1-chlorooctane	301.67
1-chlorotetradecane	110.83
n-nonane	88.71
undecane	58.44
tert-butylcyclohexane	151.67
cyclooctane	75.65
cyclopentanol	1021.35
tetrahydropyran	1178.08
tert-amyl methyl ether	748.14
2,5,8-trioxanonane	508.42
1-hexene	535.29
2-isopropoxyethanol	560.06
2,2,2-trifluoroethanol	376.46
methyl butyrate	519.58

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