Molecular formula
C6H12S3

SMILES
CCC1(CSSS1)CC

Fragrance
Sulfurous	70.85%
Onion	59.46%
Alliaceous	50.05%
Garlic	46.14%
Meaty	44.98%
Roasted	43.39%
Savory	40.02%
Green	37.63%
Vegetable	35.65%
Cooked	35.35%

 

Flavor
Sulfurous	50.53%
Green	50.19%
Onion	30.06%
Tropical	29.48%
Meaty	27.4%
Vegetable	27.13%
Roasted	25.96%
Earthy	25.44%
Sulfury	25.15%
Alliaceous	23.9%

 

Odor impact est.
High

XLogP3-AA
2.8

pKa est.
4.11 (weak acid)

Molecular weight
180.4 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
256°C

Flash point

• 111.94 ˚C est.

• SCHEMBL4946273

4,4-Diethyltrithiolane is primarily used as a sulfur-containing building block in organic synthesis, often serving as an intermediate for sulfur-rich compounds. It can act as a precursor for polymers and plastics through functionalization or crosslinking, adding sulfur functionalities. In coatings and inks, it may be explored as a processing additive or crosslinking agent to impart specific performance. The compound is sometimes evaluated for fragrance-related applications as a potential odor-active component, though such use depends on formulation and regulatory considerations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	90.37
methanol	86.76
isopropanol	70.22
water	0.35
ethyl acetate	382.6
n-propanol	85.75
acetone	444.32
n-butanol	92.83
acetonitrile	212.68
DMF	502.81
toluene	328.89
isobutanol	68.63
1,4-dioxane	731.03
methyl acetate	336.88
THF	1014.78
2-butanone	354.3
n-pentanol	65.13
sec-butanol	63.72
n-hexane	12.71
ethylene glycol	23.96
NMP	691.06
cyclohexane	65.04
DMSO	380.13
n-butyl acetate	401.92
n-octanol	73.36
chloroform	890.31
n-propyl acetate	240.23
acetic acid	180.88
dichloromethane	734.53
cyclohexanone	784.79
propylene glycol	28.91
isopropyl acetate	291.89
DMAc	396.82
2-ethoxyethanol	158.52
isopentanol	90.38
n-heptane	35.88
ethyl formate	237.92
1,2-dichloroethane	462.52
n-hexanol	129.42
2-methoxyethanol	237.51
isobutyl acetate	190.83
tetrachloromethane	208.37
n-pentyl acetate	242.86
transcutol	592.64
n-heptanol	80.57
ethylbenzene	116.89
MIBK	237.05
2-propoxyethanol	276.32
tert-butanol	114.63
MTBE	190.34
2-butoxyethanol	177.67
propionic acid	128.74
o-xylene	190.97
formic acid	49.61
diethyl ether	231.3
m-xylene	212.75
p-xylene	161.88
chlorobenzene	517.62
dimethyl carbonate	189.1
n-octane	15.6
formamide	103.42
cyclopentanone	991.85
2-pentanone	336.94
anisole	331.51
cyclopentyl methyl ether	468.02
gamma-butyrolactone	964.15
1-methoxy-2-propanol	192.23
pyridine	640.31
3-pentanone	298.39
furfural	945.72
n-dodecane	13.21
diethylene glycol	191.78
diisopropyl ether	113.58
tert-amyl alcohol	88.67
acetylacetone	553.09
n-hexadecane	16.36
acetophenone	324.65
methyl propionate	278.89
isopentyl acetate	362.26
trichloroethylene	1033.35
n-nonanol	73.57
cyclohexanol	163.47
benzyl alcohol	180.16
2-ethylhexanol	117.99
isooctanol	77.15
dipropyl ether	220.21
1,2-dichlorobenzene	494.52
ethyl lactate	102.39
propylene carbonate	500.81
n-methylformamide	204.42
2-pentanol	67.36
n-pentane	18.28
1-propoxy-2-propanol	233.84
1-methoxy-2-propyl acetate	465.51
2-(2-methoxypropoxy) propanol	206.07
mesitylene	155.28
ε-caprolactone	583.86
p-cymene	140.15
epichlorohydrin	806.85
1,1,1-trichloroethane	640.09
2-aminoethanol	45.12
morpholine-4-carbaldehyde	796.43
sulfolane	927.28
2,2,4-trimethylpentane	16.35
2-methyltetrahydrofuran	593.25
n-hexyl acetate	257.87
isooctane	16.85
2-(2-butoxyethoxy)ethanol	255.94
sec-butyl acetate	189.87
tert-butyl acetate	374.65
decalin	36.45
glycerin	58.59
diglyme	575.85
acrylic acid	130.75
isopropyl myristate	142.57
n-butyric acid	219.18
acetyl acetate	366.68
di(2-ethylhexyl) phthalate	128.57
ethyl propionate	210.09
nitromethane	480.1
1,2-diethoxyethane	368.82
benzonitrile	366.77
trioctyl phosphate	90.27
1-bromopropane	224.19
gamma-valerolactone	1121.95
n-decanol	58.03
triethyl phosphate	170.74
4-methyl-2-pentanol	59.89
propionitrile	185.14
vinylene carbonate	539.67
1,1,2-trichlorotrifluoroethane	436.01
DMS	302.84
cumene	89.08
2-octanol	57.09
2-hexanone	216.57
octyl acetate	156.6
limonene	197.83
1,2-dimethoxyethane	382.84
ethyl orthosilicate	164.73
tributyl phosphate	121.43
diacetone alcohol	250.02
N,N-dimethylaniline	209.75
acrylonitrile	238.87
aniline	279.96
1,3-propanediol	87.54
bromobenzene	612.68
dibromomethane	460.22
1,1,2,2-tetrachloroethane	694.99
2-methyl-cyclohexyl acetate	282.21
tetrabutyl urea	154.24
diisobutyl methanol	103.37
2-phenylethanol	246.93
styrene	172.88
dioctyl adipate	193.91
dimethyl sulfate	308.06
ethyl butyrate	306.27
methyl lactate	125.23
butyl lactate	153.74
diethyl carbonate	221.67
propanediol butyl ether	128.87
triethyl orthoformate	249.91
p-tert-butyltoluene	149.19
methyl 4-tert-butylbenzoate	292.16
morpholine	555.22
tert-butylamine	71.45
n-dodecanol	48.69
dimethoxymethane	388.59
ethylene carbonate	452.35
cyrene	287.68
2-ethoxyethyl acetate	385.98
2-ethylhexyl acetate	323.2
1,2,4-trichlorobenzene	540.48
4-methylpyridine	577.0
dibutyl ether	158.1
2,6-dimethyl-4-heptanol	103.37
DEF	348.66
dimethyl isosorbide	574.94
tetrachloroethylene	475.02
eugenol	245.12
triacetin	333.92
span 80	189.13
1,4-butanediol	39.54
1,1-dichloroethane	438.4
2-methyl-1-pentanol	66.3
methyl formate	226.7
2-methyl-1-butanol	76.06
n-decane	21.32
butyronitrile	199.73
3,7-dimethyl-1-octanol	94.59
1-chlorooctane	87.38
1-chlorotetradecane	43.43
n-nonane	19.51
undecane	16.23
tert-butylcyclohexane	31.51
cyclooctane	29.59
cyclopentanol	183.53
tetrahydropyran	520.0
tert-amyl methyl ether	163.35
2,5,8-trioxanonane	425.54
1-hexene	49.19
2-isopropoxyethanol	135.69
2,2,2-trifluoroethanol	112.19
methyl butyrate	262.88

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