Molecular formula
C9H18S5

SMILES
CCCCCC1SC(SSSS1)CC

Fragrance
Sulfurous	61.45%
Roasted	52.94%
Meaty	49.63%
Onion	49.56%
Savory	38.81%
Cooked	37.48%
Alliaceous	37.43%
Fatty	36.82%
Garlic	34.83%
Nutty	28.35%

 

Flavor
Sulfurous	46.35%
Green	29.51%
Roasted	25.75%
Alliaceous	25.5%
Onion	23.34%
Meaty	22.78%
Metallic	21.99%
Greasy	21.96%
Blackberry	21.53%
Violet-leaf	21.48%

 

Odor impact est.
Medium

XLogP3-AA
5.8

pKa est.
3.78 (weak acid)

Molecular weight
286.6 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
409°C

Flash point

• 187.85 ˚C est.

• 5-ethyl-7-pentyl-1,2,3,4,6-pentathiepane
• UYOUHTYDMFGWKP-UHFFFAOYSA-N
• 1,2,3,4,6-Pentathiepane, 7-ethyl-5-pentyl

5-Ethyl-7-pentyl-1,2,3,4,6-pentathiepane is primarily evaluated as a specialty odorant and potential fixative in perfumery, where sulfur-rich heterocycles can contribute unique notes and extend fragrance longevity. It may also be used as a fragrance ingredient in cosmetics and other consumer products within regulatory limits. In industrial manufacturing, it is considered a building block for organosulfur compounds or a precursor for specialty materials. It can be explored as a crosslinking or functional additive in select polymer systems. Its applications and handling are subject to local regulations and formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	573.97
methanol	352.99
isopropanol	473.61
water	0.05
ethyl acetate	2568.16
n-propanol	603.1
acetone	5494.01
n-butanol	662.23
acetonitrile	1192.16
DMF	10105.6
toluene	3042.31
isobutanol	496.84
1,4-dioxane	5844.59
methyl acetate	2157.25
THF	9713.75
2-butanone	3275.37
n-pentanol	444.05
sec-butanol	452.67
n-hexane	81.16
ethylene glycol	86.59
NMP	8185.63
cyclohexane	581.03
DMSO	5616.39
n-butyl acetate	1932.43
n-octanol	281.51
chloroform	5671.47
n-propyl acetate	1462.88
acetic acid	964.27
dichloromethane	5518.6
cyclohexanone	8649.86
propylene glycol	170.84
isopropyl acetate	1717.64
DMAc	5172.16
2-ethoxyethanol	884.6
isopentanol	596.81
n-heptane	124.24
ethyl formate	1445.69
1,2-dichloroethane	4489.87
n-hexanol	517.22
2-methoxyethanol	1688.49
isobutyl acetate	992.61
tetrachloromethane	873.84
n-pentyl acetate	1279.95
transcutol	2913.24
n-heptanol	284.62
ethylbenzene	673.54
MIBK	1547.68
2-propoxyethanol	1160.71
tert-butanol	617.76
MTBE	1296.73
2-butoxyethanol	669.24
propionic acid	696.65
o-xylene	1043.12
formic acid	145.5
diethyl ether	1715.35
m-xylene	1246.94
p-xylene	917.73
chlorobenzene	3665.23
dimethyl carbonate	1195.93
n-octane	48.62
formamide	449.8
cyclopentanone	10133.09
2-pentanone	3165.26
anisole	1716.45
cyclopentyl methyl ether	3867.97
gamma-butyrolactone	7575.02
1-methoxy-2-propanol	1157.03
pyridine	7929.98
3-pentanone	2370.86
furfural	6478.42
n-dodecane	39.04
diethylene glycol	633.98
diisopropyl ether	528.97
tert-amyl alcohol	528.4
acetylacetone	4813.54
n-hexadecane	50.6
acetophenone	1796.78
methyl propionate	2124.56
isopentyl acetate	1646.59
trichloroethylene	9824.73
n-nonanol	276.37
cyclohexanol	1184.85
benzyl alcohol	1080.84
2-ethylhexanol	458.49
isooctanol	264.49
dipropyl ether	976.58
1,2-dichlorobenzene	2843.86
ethyl lactate	439.26
propylene carbonate	3392.38
n-methylformamide	1865.7
2-pentanol	415.71
n-pentane	108.7
1-propoxy-2-propanol	969.18
1-methoxy-2-propyl acetate	2080.46
2-(2-methoxypropoxy) propanol	680.26
mesitylene	686.57
ε-caprolactone	4648.27
p-cymene	435.37
epichlorohydrin	7304.83
1,1,1-trichloroethane	4022.31
2-aminoethanol	222.96
morpholine-4-carbaldehyde	6953.42
sulfolane	8871.91
2,2,4-trimethylpentane	68.69
2-methyltetrahydrofuran	5022.59
n-hexyl acetate	1253.0
isooctane	61.88
2-(2-butoxyethoxy)ethanol	981.02
sec-butyl acetate	950.46
tert-butyl acetate	2015.37
decalin	156.79
glycerin	273.61
diglyme	2620.67
acrylic acid	730.2
isopropyl myristate	515.52
n-butyric acid	1391.04
acetyl acetate	1976.08
di(2-ethylhexyl) phthalate	504.3
ethyl propionate	1134.95
nitromethane	3455.53
1,2-diethoxyethane	1977.06
benzonitrile	2533.73
trioctyl phosphate	322.34
1-bromopropane	1830.41
gamma-valerolactone	11719.82
n-decanol	210.44
triethyl phosphate	533.73
4-methyl-2-pentanol	281.29
propionitrile	1094.6
vinylene carbonate	3260.29
1,1,2-trichlorotrifluoroethane	3336.67
DMS	1363.75
cumene	339.9
2-octanol	229.83
2-hexanone	1543.18
octyl acetate	638.67
limonene	784.53
1,2-dimethoxyethane	2879.45
ethyl orthosilicate	491.31
tributyl phosphate	439.95
diacetone alcohol	1435.99
N,N-dimethylaniline	944.42
acrylonitrile	1599.02
aniline	1968.78
1,3-propanediol	494.91
bromobenzene	4675.72
dibromomethane	3196.89
1,1,2,2-tetrachloroethane	5800.35
2-methyl-cyclohexyl acetate	1019.26
tetrabutyl urea	696.52
diisobutyl methanol	323.68
2-phenylethanol	1031.48
styrene	1253.56
dioctyl adipate	816.94
dimethyl sulfate	2235.22
ethyl butyrate	1270.26
methyl lactate	659.88
butyl lactate	706.86
diethyl carbonate	789.44
propanediol butyl ether	582.27
triethyl orthoformate	892.24
p-tert-butyltoluene	449.57
methyl 4-tert-butylbenzoate	1034.49
morpholine	5833.59
tert-butylamine	358.48
n-dodecanol	170.96
dimethoxymethane	3759.76
ethylene carbonate	2760.37
cyrene	1234.44
2-ethoxyethyl acetate	2087.94
2-ethylhexyl acetate	1428.94
1,2,4-trichlorobenzene	3266.12
4-methylpyridine	6935.98
dibutyl ether	750.78
2,6-dimethyl-4-heptanol	323.68
DEF	3923.16
dimethyl isosorbide	2069.21
tetrachloroethylene	3269.3
eugenol	921.94
triacetin	1308.33
span 80	754.1
1,4-butanediol	204.12
1,1-dichloroethane	3274.21
2-methyl-1-pentanol	416.25
methyl formate	1755.2
2-methyl-1-butanol	534.26
n-decane	67.29
butyronitrile	1437.23
3,7-dimethyl-1-octanol	342.9
1-chlorooctane	368.59
1-chlorotetradecane	153.06
n-nonane	62.8
undecane	49.5
tert-butylcyclohexane	111.66
cyclooctane	160.72
cyclopentanol	1355.85
tetrahydropyran	5600.67
tert-amyl methyl ether	948.33
2,5,8-trioxanonane	1486.2
1-hexene	392.68
2-isopropoxyethanol	623.93
2,2,2-trifluoroethanol	396.38
methyl butyrate	1744.88

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