Molecular formula
C6H12S2

SMILES
CC1CCSC(S1)C

Fragrance
Sulfurous	75.83%
Onion	52.08%
Alliaceous	46.62%
Meaty	42.61%
Garlic	40.71%
Savory	28.94%
Tropical	27.97%
Roasted	24.82%
Cooked	24.79%
Vegetable	24.5%

 

Flavor
Sulfurous	63.99%
Vegetable	43.6%
Green	41.87%
Roasted	38.63%
Alliaceous	38.63%
Onion	36.01%
Meaty	35.5%
Tropical	32.66%
Sulfur	31.05%
Garlic	28.15%

 

Odor impact est.
High

XLogP3-AA
2.6

pKa est.
5.5 (weak acid)

Molecular weight
148.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
216°C

Flash point

• 77.18 ˚C est.

• 2,4-Dimethyl-1,3-dithiane
• SCHEMBL11375732
• XRBWKNMCKYCXOI-UHFFFAOYSA-N

2,4-Dimethyl-1,3-dithiane is primarily used as a protective dithiane group for carbonyl compounds (aldehydes and ketones) in organic synthesis, enabling stable masking of carbonyl functionality during multi-step sequences. It functions as a masked acyl anion equivalent (umpolung) after deprotonation, facilitating carbon–carbon bond formation and diversification in the construction of complex molecules. It is commonly employed as an intermediate and building block in pharmaceutical and fine-chemical synthesis, in both academic and industrial laboratories, and can be converted back to the corresponding carbonyl upon deprotection. As a versatile precursor for masked carbonyl chemistry, it also appears in natural product syntheses and the preparation of advanced intermediates, with applications mainly in research and manufacturing settings and subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	789.11
methanol	601.0
isopropanol	491.48
water	0.61
ethyl acetate	1417.61
n-propanol	651.73
acetone	1374.18
n-butanol	685.32
acetonitrile	839.55
DMF	582.56
toluene	797.46
isobutanol	384.47
1,4-dioxane	1920.3
methyl acetate	953.41
THF	2627.84
2-butanone	1070.11
n-pentanol	392.04
sec-butanol	450.73
n-hexane	88.02
ethylene glycol	75.03
NMP	778.28
cyclohexane	302.59
DMSO	722.63
n-butyl acetate	1798.69
n-octanol	334.11
chloroform	2056.61
n-propyl acetate	700.64
acetic acid	641.12
dichloromethane	1504.38
cyclohexanone	1689.43
propylene glycol	124.21
isopropyl acetate	749.67
DMAc	457.92
2-ethoxyethanol	517.39
isopentanol	475.23
n-heptane	230.74
ethyl formate	768.8
1,2-dichloroethane	945.6
n-hexanol	812.97
2-methoxyethanol	845.11
isobutyl acetate	419.37
tetrachloromethane	493.24
n-pentyl acetate	702.58
transcutol	2082.03
n-heptanol	361.03
ethylbenzene	206.31
MIBK	514.86
2-propoxyethanol	1080.62
tert-butanol	508.23
MTBE	707.92
2-butoxyethanol	548.71
propionic acid	516.0
o-xylene	336.63
formic acid	142.04
diethyl ether	1270.5
m-xylene	425.6
p-xylene	248.0
chlorobenzene	848.55
dimethyl carbonate	248.8
n-octane	69.63
formamide	225.0
cyclopentanone	1625.59
2-pentanone	1048.65
anisole	483.31
cyclopentyl methyl ether	1116.36
gamma-butyrolactone	1552.41
1-methoxy-2-propanol	624.42
pyridine	1399.31
3-pentanone	742.97
furfural	1345.18
n-dodecane	43.43
diethylene glycol	520.69
diisopropyl ether	389.47
tert-amyl alcohol	411.51
acetylacetone	1004.29
n-hexadecane	51.81
acetophenone	387.28
methyl propionate	736.05
isopentyl acetate	1100.78
trichloroethylene	1820.04
n-nonanol	294.05
cyclohexanol	658.06
benzyl alcohol	319.61
2-ethylhexanol	534.77
isooctanol	264.07
dipropyl ether	969.55
1,2-dichlorobenzene	648.4
ethyl lactate	194.55
propylene carbonate	900.21
n-methylformamide	464.97
2-pentanol	445.6
n-pentane	150.43
1-propoxy-2-propanol	941.02
1-methoxy-2-propyl acetate	1070.44
2-(2-methoxypropoxy) propanol	422.8
mesitylene	270.3
ε-caprolactone	1396.7
p-cymene	281.87
epichlorohydrin	1445.62
1,1,1-trichloroethane	1288.55
2-aminoethanol	190.64
morpholine-4-carbaldehyde	1088.73
sulfolane	1146.59
2,2,4-trimethylpentane	60.54
2-methyltetrahydrofuran	1754.55
n-hexyl acetate	713.76
isooctane	64.55
2-(2-butoxyethoxy)ethanol	648.28
sec-butyl acetate	434.37
tert-butyl acetate	737.55
decalin	89.51
glycerin	169.38
diglyme	1205.37
acrylic acid	354.48
isopropyl myristate	284.58
n-butyric acid	1054.13
acetyl acetate	839.75
di(2-ethylhexyl) phthalate	211.66
ethyl propionate	459.29
nitromethane	1092.07
1,2-diethoxyethane	1366.43
benzonitrile	621.24
trioctyl phosphate	171.84
1-bromopropane	733.7
gamma-valerolactone	1918.89
n-decanol	210.41
triethyl phosphate	271.19
4-methyl-2-pentanol	231.4
propionitrile	677.59
vinylene carbonate	867.25
1,1,2-trichlorotrifluoroethane	728.76
DMS	420.46
cumene	139.39
2-octanol	233.14
2-hexanone	604.9
octyl acetate	353.6
limonene	492.34
1,2-dimethoxyethane	903.62
ethyl orthosilicate	285.64
tributyl phosphate	229.73
diacetone alcohol	539.54
N,N-dimethylaniline	248.35
acrylonitrile	631.63
aniline	677.58
1,3-propanediol	402.62
bromobenzene	949.09
dibromomethane	1103.23
1,1,2,2-tetrachloroethane	1184.22
2-methyl-cyclohexyl acetate	490.14
tetrabutyl urea	255.94
diisobutyl methanol	319.28
2-phenylethanol	524.92
styrene	294.8
dioctyl adipate	333.56
dimethyl sulfate	278.59
ethyl butyrate	886.94
methyl lactate	228.55
butyl lactate	372.43
diethyl carbonate	496.69
propanediol butyl ether	374.8
triethyl orthoformate	591.92
p-tert-butyltoluene	286.27
methyl 4-tert-butylbenzoate	371.25
morpholine	1754.92
tert-butylamine	348.52
n-dodecanol	159.92
dimethoxymethane	748.61
ethylene carbonate	815.23
cyrene	352.91
2-ethoxyethyl acetate	928.76
2-ethylhexyl acetate	948.81
1,2,4-trichlorobenzene	711.57
4-methylpyridine	1207.75
dibutyl ether	616.56
2,6-dimethyl-4-heptanol	319.28
DEF	798.65
dimethyl isosorbide	832.01
tetrachloroethylene	879.35
eugenol	323.67
triacetin	523.05
span 80	434.06
1,4-butanediol	132.6
1,1-dichloroethane	1130.35
2-methyl-1-pentanol	301.13
methyl formate	396.26
2-methyl-1-butanol	434.23
n-decane	81.96
butyronitrile	937.66
3,7-dimethyl-1-octanol	331.57
1-chlorooctane	277.41
1-chlorotetradecane	108.69
n-nonane	86.42
undecane	56.81
tert-butylcyclohexane	82.48
cyclooctane	124.68
cyclopentanol	586.74
tetrahydropyran	2006.32
tert-amyl methyl ether	506.35
2,5,8-trioxanonane	786.86
1-hexene	286.94
2-isopropoxyethanol	393.48
2,2,2-trifluoroethanol	216.55
methyl butyrate	601.89

Scent© AI