Molecular formula
C5H8OS2

SMILES
CC1(CSSC1=O)C

Fragrance
Roasted	58.02%
Sulfurous	55.52%
Meaty	48.16%
Fatty	47.2%
Onion	44.52%
Savory	40.28%
Cooked	37.17%
Garlic	35.12%
Alliaceous	32.82%
Nutty	32.33%

 

Flavor
Nutty	40.55%
Green	40.15%
Meaty	37.02%
Roasted	34.99%
Earthy	34.96%
Vegetable	31.91%
Fruity	30.62%
Potato	30.58%
Sulfurous	29.94%
Onion	28.77%

 

Odor impact est.
High

XLogP3-AA
1.3

pKa est.
5.2 (weak acid)

Molecular weight
148.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
213°C

Flash point

• 91.83 ˚C est.

• SCHEMBL23033041

Chemical name: 4,4-Dimethyldithiolan-3-one. 4,4-Dimethyldithiolan-3-one is typically regarded as an organic synthesis intermediate and a sulfur-containing building block. In practice, it is often used as an intermediate in the preparation of sulfur-containing scaffolds and as a precursor to derivatives for pharmaceutical and agrochemical applications. In fragrance and cosmetics, it may be used as a sulfur-containing fragment or precursor for odorant compounds, or evaluated as a reagent to access sulfur-rich fragrance molecules. In the polymers and coatings sector, it can serve as a functional building block for advanced polymer systems or composites, and may be explored as a component for crosslinking or formulation control. Its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	234.57
methanol	287.14
isopropanol	173.34
water	13.51
ethyl acetate	380.44
n-propanol	175.37
acetone	655.26
n-butanol	160.51
acetonitrile	427.8
DMF	844.81
toluene	276.45
isobutanol	135.26
1,4-dioxane	547.47
methyl acetate	508.0
THF	589.63
2-butanone	476.25
n-pentanol	126.06
sec-butanol	161.66
n-hexane	13.1
ethylene glycol	115.84
NMP	753.35
cyclohexane	31.79
DMSO	494.33
n-butyl acetate	292.33
n-octanol	147.22
chloroform	1464.27
n-propyl acetate	286.4
acetic acid	478.01
dichloromethane	873.06
cyclohexanone	614.0
propylene glycol	126.92
isopropyl acetate	286.81
DMAc	630.11
2-ethoxyethanol	313.05
isopentanol	160.52
n-heptane	20.74
ethyl formate	305.7
1,2-dichloroethane	433.66
n-hexanol	166.29
2-methoxyethanol	427.59
isobutyl acetate	190.46
tetrachloromethane	275.74
n-pentyl acetate	232.25
transcutol	1011.4
n-heptanol	134.54
ethylbenzene	167.04
MIBK	264.61
2-propoxyethanol	358.62
tert-butanol	234.3
MTBE	222.04
2-butoxyethanol	284.39
propionic acid	273.13
o-xylene	230.32
formic acid	264.33
diethyl ether	197.69
m-xylene	238.13
p-xylene	269.9
chlorobenzene	457.16
dimethyl carbonate	233.04
n-octane	13.06
formamide	472.63
cyclopentanone	766.12
2-pentanone	365.14
anisole	441.37
cyclopentyl methyl ether	297.72
gamma-butyrolactone	841.03
1-methoxy-2-propanol	365.07
pyridine	562.31
3-pentanone	293.69
furfural	946.31
n-dodecane	13.25
diethylene glycol	329.28
diisopropyl ether	99.83
tert-amyl alcohol	197.51
acetylacetone	620.08
n-hexadecane	15.61
acetophenone	478.21
methyl propionate	320.2
isopentyl acetate	270.59
trichloroethylene	1448.36
n-nonanol	130.22
cyclohexanol	210.35
benzyl alcohol	316.38
2-ethylhexanol	125.29
isooctanol	118.47
dipropyl ether	129.01
1,2-dichlorobenzene	524.31
ethyl lactate	172.68
propylene carbonate	538.24
n-methylformamide	438.8
2-pentanol	143.42
n-pentane	17.33
1-propoxy-2-propanol	266.69
1-methoxy-2-propyl acetate	381.52
2-(2-methoxypropoxy) propanol	299.33
mesitylene	167.52
ε-caprolactone	525.83
p-cymene	128.54
epichlorohydrin	743.71
1,1,1-trichloroethane	770.7
2-aminoethanol	167.78
morpholine-4-carbaldehyde	828.7
sulfolane	789.14
2,2,4-trimethylpentane	20.67
2-methyltetrahydrofuran	402.79
n-hexyl acetate	324.13
isooctane	18.9
2-(2-butoxyethoxy)ethanol	378.34
sec-butyl acetate	216.65
tert-butyl acetate	354.57
decalin	31.48
glycerin	221.94
diglyme	721.86
acrylic acid	328.05
isopropyl myristate	131.01
n-butyric acid	324.59
acetyl acetate	385.5
di(2-ethylhexyl) phthalate	134.28
ethyl propionate	236.32
nitromethane	1086.04
1,2-diethoxyethane	309.85
benzonitrile	483.27
trioctyl phosphate	92.52
1-bromopropane	188.76
gamma-valerolactone	947.17
n-decanol	93.9
triethyl phosphate	130.69
4-methyl-2-pentanol	111.42
propionitrile	267.23
vinylene carbonate	608.27
1,1,2-trichlorotrifluoroethane	702.48
DMS	330.15
cumene	127.42
2-octanol	111.97
2-hexanone	285.38
octyl acetate	158.64
limonene	160.97
1,2-dimethoxyethane	502.49
ethyl orthosilicate	126.0
tributyl phosphate	117.57
diacetone alcohol	377.25
N,N-dimethylaniline	298.25
acrylonitrile	442.16
aniline	328.37
1,3-propanediol	217.18
bromobenzene	490.78
dibromomethane	522.23
1,1,2,2-tetrachloroethane	1023.05
2-methyl-cyclohexyl acetate	215.04
tetrabutyl urea	152.45
diisobutyl methanol	101.61
2-phenylethanol	309.22
styrene	216.06
dioctyl adipate	181.99
dimethyl sulfate	373.56
ethyl butyrate	228.8
methyl lactate	231.15
butyl lactate	209.29
diethyl carbonate	174.26
propanediol butyl ether	330.53
triethyl orthoformate	167.51
p-tert-butyltoluene	133.76
methyl 4-tert-butylbenzoate	358.63
morpholine	475.7
tert-butylamine	144.5
n-dodecanol	71.7
dimethoxymethane	395.46
ethylene carbonate	419.9
cyrene	338.58
2-ethoxyethyl acetate	362.9
2-ethylhexyl acetate	212.42
1,2,4-trichlorobenzene	616.55
4-methylpyridine	622.47
dibutyl ether	128.22
2,6-dimethyl-4-heptanol	101.61
DEF	380.41
dimethyl isosorbide	488.33
tetrachloroethylene	723.27
eugenol	348.75
triacetin	412.29
span 80	260.01
1,4-butanediol	118.7
1,1-dichloroethane	570.7
2-methyl-1-pentanol	131.88
methyl formate	428.4
2-methyl-1-butanol	140.13
n-decane	21.69
butyronitrile	262.88
3,7-dimethyl-1-octanol	145.98
1-chlorooctane	96.13
1-chlorotetradecane	41.25
n-nonane	19.51
undecane	16.25
tert-butylcyclohexane	30.98
cyclooctane	16.22
cyclopentanol	226.49
tetrahydropyran	329.8
tert-amyl methyl ether	186.37
2,5,8-trioxanonane	465.89
1-hexene	62.24
2-isopropoxyethanol	254.06
2,2,2-trifluoroethanol	311.39
methyl butyrate	311.97

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