Molecular formula
C9H18S3

SMILES
CCC1CSSSC1(CC)CC

Fragrance
Green	68.52%
Sulfurous	65.0%
Onion	54.94%
Alliaceous	48.69%
Meaty	46.4%
Vegetable	44.07%
Roasted	41.7%
Savory	39.64%
Garlic	35.34%
Tropical	34.27%

 

Flavor
Green	53.71%
Sulfurous	45.46%
Tropical	32.6%
Herbal	26.62%
Vegetable	24.26%
Onion	23.9%
Metallic	23.21%
Sulfury	23.18%
Meaty	23.01%
Blackberry	22.74%

 

Odor impact est.
High

XLogP3-AA
3.9

pKa est.
5.28 (weak acid)

Molecular weight
222.4 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
302°C

Flash point

• 130.71 ˚C est.

4,4,5-triethyltrithiane is primarily used as an intermediate in organic synthesis, notably as a thioacetal protecting group for carbonyl compounds to prevent premature reactions in subsequent steps, with deprotection enabling the introduction of an aldehyde or ketone when required; it is also considered a precursor to sulfur-containing compounds in pharmaceutical, agrochemical, and specialty chemical applications, and can serve as a building block for sulfur-containing heterocycles and organosulfur derivatives; in addition, it may be a precursor for polymers or specialty materials and can function as a component in the synthesis of industrial formulations to introduce C–S bonds in coatings, plastics, and other engineered products.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	252.82
methanol	221.09
isopropanol	200.29
water	0.4
ethyl acetate	960.98
n-propanol	245.69
acetone	1373.64
n-butanol	230.93
acetonitrile	625.74
DMF	1686.75
toluene	922.39
isobutanol	184.62
1,4-dioxane	1857.33
methyl acetate	884.42
THF	3034.15
2-butanone	963.3
n-pentanol	131.39
sec-butanol	166.38
n-hexane	28.82
ethylene glycol	54.69
NMP	1942.59
cyclohexane	167.25
DMSO	1221.58
n-butyl acetate	903.72
n-octanol	167.6
chloroform	1917.55
n-propyl acetate	552.28
acetic acid	362.54
dichloromethane	1892.28
cyclohexanone	2300.77
propylene glycol	67.25
isopropyl acetate	674.08
DMAc	949.1
2-ethoxyethanol	307.52
isopentanol	203.93
n-heptane	66.1
ethyl formate	606.27
1,2-dichloroethane	1392.83
n-hexanol	258.78
2-methoxyethanol	568.67
isobutyl acetate	396.39
tetrachloromethane	536.36
n-pentyl acetate	603.77
transcutol	905.28
n-heptanol	183.03
ethylbenzene	267.32
MIBK	584.51
2-propoxyethanol	560.73
tert-butanol	287.44
MTBE	508.26
2-butoxyethanol	364.49
propionic acid	321.96
o-xylene	440.16
formic acid	79.78
diethyl ether	599.74
m-xylene	533.47
p-xylene	348.89
chlorobenzene	1194.76
dimethyl carbonate	490.21
n-octane	31.89
formamide	187.84
cyclopentanone	2875.99
2-pentanone	923.28
anisole	649.98
cyclopentyl methyl ether	1227.68
gamma-butyrolactone	2781.59
1-methoxy-2-propanol	444.1
pyridine	1714.01
3-pentanone	737.97
furfural	2231.15
n-dodecane	26.63
diethylene glycol	362.32
diisopropyl ether	243.44
tert-amyl alcohol	211.71
acetylacetone	1342.97
n-hexadecane	33.37
acetophenone	610.54
methyl propionate	762.44
isopentyl acetate	784.68
trichloroethylene	2675.78
n-nonanol	154.93
cyclohexanol	424.69
benzyl alcohol	363.96
2-ethylhexanol	221.18
isooctanol	164.55
dipropyl ether	446.41
1,2-dichlorobenzene	1071.62
ethyl lactate	196.95
propylene carbonate	1322.97
n-methylformamide	644.06
2-pentanol	156.9
n-pentane	42.63
1-propoxy-2-propanol	452.48
1-methoxy-2-propyl acetate	932.13
2-(2-methoxypropoxy) propanol	320.72
mesitylene	376.57
ε-caprolactone	1567.42
p-cymene	270.22
epichlorohydrin	2353.4
1,1,1-trichloroethane	1718.12
2-aminoethanol	102.77
morpholine-4-carbaldehyde	1794.63
sulfolane	2892.22
2,2,4-trimethylpentane	35.48
2-methyltetrahydrofuran	1687.24
n-hexyl acetate	621.69
isooctane	37.44
2-(2-butoxyethoxy)ethanol	413.19
sec-butyl acetate	377.79
tert-butyl acetate	828.84
decalin	71.19
glycerin	126.66
diglyme	1062.19
acrylic acid	310.02
isopropyl myristate	277.57
n-butyric acid	568.96
acetyl acetate	790.15
di(2-ethylhexyl) phthalate	245.68
ethyl propionate	480.9
nitromethane	1177.8
1,2-diethoxyethane	637.64
benzonitrile	809.38
trioctyl phosphate	176.05
1-bromopropane	618.43
gamma-valerolactone	3105.45
n-decanol	117.76
triethyl phosphate	302.54
4-methyl-2-pentanol	130.25
propionitrile	528.59
vinylene carbonate	1357.19
1,1,2-trichlorotrifluoroethane	972.31
DMS	637.05
cumene	176.77
2-octanol	137.68
2-hexanone	491.47
octyl acetate	320.51
limonene	405.52
1,2-dimethoxyethane	859.5
ethyl orthosilicate	280.57
tributyl phosphate	222.68
diacetone alcohol	552.58
N,N-dimethylaniline	370.9
acrylonitrile	727.14
aniline	618.41
1,3-propanediol	206.63
bromobenzene	1480.17
dibromomethane	1183.21
1,1,2,2-tetrachloroethane	1647.9
2-methyl-cyclohexyl acetate	495.05
tetrabutyl urea	302.74
diisobutyl methanol	186.46
2-phenylethanol	471.84
styrene	401.32
dioctyl adipate	372.53
dimethyl sulfate	802.68
ethyl butyrate	614.29
methyl lactate	296.1
butyl lactate	314.54
diethyl carbonate	414.91
propanediol butyl ether	250.37
triethyl orthoformate	437.92
p-tert-butyltoluene	286.87
methyl 4-tert-butylbenzoate	574.29
morpholine	1471.32
tert-butylamine	175.16
n-dodecanol	93.21
dimethoxymethane	1109.87
ethylene carbonate	1149.37
cyrene	470.97
2-ethoxyethyl acetate	814.36
2-ethylhexyl acetate	679.69
1,2,4-trichlorobenzene	1137.58
4-methylpyridine	1597.81
dibutyl ether	336.22
2,6-dimethyl-4-heptanol	186.46
DEF	934.0
dimethyl isosorbide	965.31
tetrachloroethylene	1146.97
eugenol	468.78
triacetin	599.99
span 80	329.51
1,4-butanediol	81.5
1,1-dichloroethane	1216.96
2-methyl-1-pentanol	127.43
methyl formate	693.38
2-methyl-1-butanol	177.48
n-decane	45.38
butyronitrile	572.2
3,7-dimethyl-1-octanol	180.7
1-chlorooctane	210.82
1-chlorotetradecane	88.6
n-nonane	42.86
undecane	33.64
tert-butylcyclohexane	64.07
cyclooctane	66.84
cyclopentanol	493.96
tetrahydropyran	1521.15
tert-amyl methyl ether	377.17
2,5,8-trioxanonane	642.78
1-hexene	111.07
2-isopropoxyethanol	238.89
2,2,2-trifluoroethanol	226.38
methyl butyrate	632.74

Scent© AI