Molecular formula
C9H18S3

SMILES
CCCCCC1SC(SS1)CC

Fragrance
Sulfurous	56.57%
Roasted	54.19%
Meaty	51.17%
Onion	49.07%
Fatty	46.13%
Savory	40.17%
Alliaceous	37.8%
Cooked	36.94%
Nutty	34.58%
Garlic	31.03%

 

Flavor
Sulfurous	47.17%
Green	34.86%
Onion	24.44%
Alliaceous	24.3%
Tropical	23.89%
Roasted	23.76%
Metallic	23.46%
Greasy	22.26%
Violet-leaf	22.12%
Meaty	21.8%

 

Odor impact est.
Medium

XLogP3-AA
4.9

pKa est.
4.99 (weak acid)

Molecular weight
222.4 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
299°C

Flash point

• 146.81 ˚C est.

• DQLRCORWZUIVKD-UHFFFAOYSA-N
• 3-Ethyl-5-pentyl-1,2,4-trithiolane

3-Ethyl-5-pentyl-1,2,4-trithiolane is considered an organic synthesis intermediate and may serve as an odorant or fragrance fixative in the fragrance and cosmetics industries; it may also be evaluated for use in consumer and household products as a precursor or fragrance additive. In industrial manufacturing, the compound can be used as an intermediate for sulfur-containing synthetic sequences; in the polymers/plastics and coatings/inks sectors, it may be explored as an additive or precursor for specialty formulations involving sulfur chemistry, and it may be considered for other roles as a sulfur-containing precursor for complex materials. Use is subject to local regulations and formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1325.9
methanol	575.46
isopropanol	1210.89
water	0.04
ethyl acetate	5731.81
n-propanol	1303.07
acetone	9087.6
n-butanol	1497.66
acetonitrile	2345.0
DMF	6518.24
toluene	4386.83
isobutanol	1108.39
1,4-dioxane	9546.92
methyl acetate	3782.82
THF	14411.47
2-butanone	5634.82
n-pentanol	933.45
sec-butanol	1078.69
n-hexane	316.45
ethylene glycol	106.32
NMP	5005.45
cyclohexane	1622.14
DMSO	5045.51
n-butyl acetate	5874.39
n-octanol	706.08
chloroform	7755.72
n-propyl acetate	3158.89
acetic acid	1218.58
dichloromethane	6953.51
cyclohexanone	11611.19
propylene glycol	251.68
isopropyl acetate	4223.1
DMAc	4017.82
2-ethoxyethanol	1453.12
isopentanol	1483.05
n-heptane	463.95
ethyl formate	2181.76
1,2-dichloroethane	5815.83
n-hexanol	1644.11
2-methoxyethanol	2453.22
isobutyl acetate	2088.63
tetrachloromethane	1454.04
n-pentyl acetate	2620.98
transcutol	6350.83
n-heptanol	664.3
ethylbenzene	1192.69
MIBK	3219.06
2-propoxyethanol	2840.14
tert-butanol	1802.45
MTBE	4065.08
2-butoxyethanol	1290.76
propionic acid	1043.86
o-xylene	1678.08
formic acid	128.57
diethyl ether	5190.92
m-xylene	2142.75
p-xylene	1568.57
chlorobenzene	4435.31
dimethyl carbonate	1493.51
n-octane	167.09
formamide	363.69
cyclopentanone	11103.18
2-pentanone	6298.02
anisole	2574.88
cyclopentyl methyl ether	6407.86
gamma-butyrolactone	7924.97
1-methoxy-2-propanol	2204.66
pyridine	8522.23
3-pentanone	4239.32
furfural	5578.69
n-dodecane	115.58
diethylene glycol	1154.32
diisopropyl ether	1751.52
tert-amyl alcohol	1291.18
acetylacetone	7331.2
n-hexadecane	147.54
acetophenone	2243.59
methyl propionate	3587.51
isopentyl acetate	4637.05
trichloroethylene	10525.38
n-nonanol	645.62
cyclohexanol	2560.89
benzyl alcohol	1374.93
2-ethylhexanol	1256.02
isooctanol	627.67
dipropyl ether	3192.57
1,2-dichlorobenzene	3331.02
ethyl lactate	671.98
propylene carbonate	4311.3
n-methylformamide	1609.75
2-pentanol	1160.13
n-pentane	388.4
1-propoxy-2-propanol	2438.71
1-methoxy-2-propyl acetate	4652.63
2-(2-methoxypropoxy) propanol	1289.29
mesitylene	1293.81
ε-caprolactone	6950.0
p-cymene	890.44
epichlorohydrin	8765.1
1,1,1-trichloroethane	6588.31
2-aminoethanol	300.63
morpholine-4-carbaldehyde	6270.12
sulfolane	7234.52
2,2,4-trimethylpentane	194.19
2-methyltetrahydrofuran	8931.35
n-hexyl acetate	2790.39
isooctane	214.29
2-(2-butoxyethoxy)ethanol	1853.46
sec-butyl acetate	2177.4
tert-butyl acetate	4819.23
decalin	415.95
glycerin	354.27
diglyme	4832.53
acrylic acid	756.18
isopropyl myristate	1083.97
n-butyric acid	2653.69
acetyl acetate	3628.55
di(2-ethylhexyl) phthalate	764.7
ethyl propionate	2451.03
nitromethane	3879.91
1,2-diethoxyethane	4876.62
benzonitrile	3065.44
trioctyl phosphate	564.58
1-bromopropane	3607.56
gamma-valerolactone	11774.55
n-decanol	477.94
triethyl phosphate	969.2
4-methyl-2-pentanol	806.27
propionitrile	2141.11
vinylene carbonate	3540.69
1,1,2-trichlorotrifluoroethane	3328.9
DMS	2036.86
cumene	628.75
2-octanol	533.27
2-hexanone	3121.88
octyl acetate	1221.0
limonene	1715.33
1,2-dimethoxyethane	4934.89
ethyl orthosilicate	988.46
tributyl phosphate	831.02
diacetone alcohol	2733.91
N,N-dimethylaniline	1354.91
acrylonitrile	2189.22
aniline	2797.82
1,3-propanediol	836.63
bromobenzene	5587.84
dibromomethane	4908.61
1,1,2,2-tetrachloroethane	7315.36
2-methyl-cyclohexyl acetate	1999.64
tetrabutyl urea	1064.66
diisobutyl methanol	890.34
2-phenylethanol	1725.72
styrene	1917.78
dioctyl adipate	1401.06
dimethyl sulfate	1967.7
ethyl butyrate	3331.59
methyl lactate	894.81
butyl lactate	1230.44
diethyl carbonate	1753.7
propanediol butyl ether	992.05
triethyl orthoformate	2178.74
p-tert-butyltoluene	928.87
methyl 4-tert-butylbenzoate	1554.67
morpholine	9165.71
tert-butylamine	1183.87
n-dodecanol	382.81
dimethoxymethane	4865.04
ethylene carbonate	3700.42
cyrene	1461.69
2-ethoxyethyl acetate	3652.47
2-ethylhexyl acetate	3796.57
1,2,4-trichlorobenzene	3494.16
4-methylpyridine	8579.34
dibutyl ether	2298.38
2,6-dimethyl-4-heptanol	890.34
DEF	5584.32
dimethyl isosorbide	3269.61
tetrachloroethylene	4210.39
eugenol	1257.37
triacetin	2212.7
span 80	1330.39
1,4-butanediol	285.8
1,1-dichloroethane	5703.82
2-methyl-1-pentanol	904.45
methyl formate	1538.4
2-methyl-1-butanol	1213.33
n-decane	223.6
butyronitrile	3029.69
3,7-dimethyl-1-octanol	896.85
1-chlorooctane	971.13
1-chlorotetradecane	359.5
n-nonane	224.35
undecane	151.2
tert-butylcyclohexane	302.3
cyclooctane	509.76
cyclopentanol	2200.7
tetrahydropyran	10880.43
tert-amyl methyl ether	2463.82
2,5,8-trioxanonane	2517.5
1-hexene	1228.67
2-isopropoxyethanol	1165.0
2,2,2-trifluoroethanol	449.96
methyl butyrate	3437.97

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