Molecular formula
C6H14OS

SMILES
CCCCC(CS)O

Fragrance
Sulfurous	58.63%
Grapefruit	49.8%
Meaty	42.07%
Green	38.62%
Citrus	37.51%
Savory	37.4%
Roasted	32.34%
Onion	32.05%
Cheesy	31.61%
Black currant	29.61%

 

Flavor
Sulfurous	51.05%
Onion	33.82%
Fishy	30.9%
Sulfury	30.39%
Meaty	30.28%
Roasted	25.85%
Odorless	25.53%
Burnt	24.84%
Mild	24.83%
Vegetable	23.48%

 

Odor impact est.
High

XLogP3-AA
1.7

pKa est.
7.8 (neutral)

Molecular weight
134.24 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
209°C

Flash point

• 84.96 ˚C est.

• 1-Sulfanyl-2-hexanol #
• 2-Hexanol, 1-mercapto-
• SCHEMBL2047302
• XXIIBORLMZZLPO-UHFFFAOYSA-N

2-Hexanol, 1-mercapto- is commonly used as a specialty intermediate and functional building block in chemical synthesis. In polymers and plastics, it serves as a thiol-containing precursor for thioether linkages and can act as a chain-transfer agent in radical polymerizations and thiol-ene systems. In coatings, inks, and adhesives, it is used as a reactive thiol component for thiol-ene crosslinking to tailor cure and network properties. In fragrance and cosmetics, it provides sulfur-containing fragments for odor-note construction and may be used as a fragrance ingredient after purification. In industrial manufacturing, it is an intermediate for sulfur-containing specialty chemicals. In cleaning product formulations, it may appear as a fragrance or reactive additive under appropriate handling.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	951.77
methanol	1122.24
isopropanol	769.67
water	3.62
ethyl acetate	109.13
n-propanol	678.77
acetone	327.15
n-butanol	620.64
acetonitrile	186.48
DMF	444.44
toluene	57.41
isobutanol	413.58
1,4-dioxane	490.43
methyl acetate	133.37
THF	722.41
2-butanone	200.13
n-pentanol	373.73
sec-butanol	474.27
n-hexane	54.68
ethylene glycol	243.02
NMP	250.82
cyclohexane	82.67
DMSO	825.4
n-butyl acetate	210.05
n-octanol	180.45
chloroform	406.36
n-propyl acetate	125.33
acetic acid	396.62
dichloromethane	302.24
cyclohexanone	329.57
propylene glycol	315.55
isopropyl acetate	74.71
DMAc	215.96
2-ethoxyethanol	368.07
isopentanol	372.82
n-heptane	75.14
ethyl formate	134.41
1,2-dichloroethane	166.81
n-hexanol	468.05
2-methoxyethanol	656.44
isobutyl acetate	95.23
tetrachloromethane	82.27
n-pentyl acetate	116.81
transcutol	687.23
n-heptanol	204.43
ethylbenzene	43.11
MIBK	103.43
2-propoxyethanol	469.76
tert-butanol	621.7
MTBE	207.61
2-butoxyethanol	278.07
propionic acid	266.22
o-xylene	45.79
formic acid	147.04
diethyl ether	211.86
m-xylene	45.12
p-xylene	61.02
chlorobenzene	95.37
dimethyl carbonate	32.66
n-octane	22.86
formamide	151.15
cyclopentanone	318.31
2-pentanone	164.98
anisole	101.56
cyclopentyl methyl ether	195.35
gamma-butyrolactone	265.97
1-methoxy-2-propanol	435.12
pyridine	254.36
3-pentanone	88.2
furfural	283.02
n-dodecane	17.68
diethylene glycol	391.9
diisopropyl ether	52.71
tert-amyl alcohol	352.83
acetylacetone	139.52
n-hexadecane	19.05
acetophenone	100.3
methyl propionate	86.1
isopentyl acetate	164.44
trichloroethylene	270.11
n-nonanol	148.05
cyclohexanol	368.13
benzyl alcohol	134.78
2-ethylhexanol	223.15
isooctanol	142.99
dipropyl ether	197.97
1,2-dichlorobenzene	84.33
ethyl lactate	85.57
propylene carbonate	150.47
n-methylformamide	229.89
2-pentanol	305.14
n-pentane	57.37
1-propoxy-2-propanol	366.15
1-methoxy-2-propyl acetate	137.72
2-(2-methoxypropoxy) propanol	198.32
mesitylene	35.98
ε-caprolactone	224.71
p-cymene	53.49
epichlorohydrin	272.61
1,1,1-trichloroethane	145.1
2-aminoethanol	443.16
morpholine-4-carbaldehyde	339.25
sulfolane	330.11
2,2,4-trimethylpentane	21.11
2-methyltetrahydrofuran	374.09
n-hexyl acetate	154.27
isooctane	19.51
2-(2-butoxyethoxy)ethanol	291.06
sec-butyl acetate	73.46
tert-butyl acetate	89.55
decalin	27.05
glycerin	341.11
diglyme	454.86
acrylic acid	206.74
isopropyl myristate	73.33
n-butyric acid	341.37
acetyl acetate	64.81
di(2-ethylhexyl) phthalate	81.08
ethyl propionate	72.03
nitromethane	279.15
1,2-diethoxyethane	216.17
benzonitrile	149.93
trioctyl phosphate	72.76
1-bromopropane	162.28
gamma-valerolactone	376.28
n-decanol	111.29
triethyl phosphate	63.64
4-methyl-2-pentanol	135.6
propionitrile	199.33
vinylene carbonate	140.58
1,1,2-trichlorotrifluoroethane	262.94
DMS	73.52
cumene	39.52
2-octanol	126.21
2-hexanone	164.67
octyl acetate	91.47
limonene	91.69
1,2-dimethoxyethane	483.73
ethyl orthosilicate	68.65
tributyl phosphate	72.94
diacetone alcohol	165.28
N,N-dimethylaniline	79.74
acrylonitrile	196.84
aniline	124.61
1,3-propanediol	534.62
bromobenzene	77.48
dibromomethane	237.06
1,1,2,2-tetrachloroethane	244.26
2-methyl-cyclohexyl acetate	113.42
tetrabutyl urea	100.83
diisobutyl methanol	107.91
2-phenylethanol	156.63
styrene	56.31
dioctyl adipate	104.22
dimethyl sulfate	61.11
ethyl butyrate	124.15
methyl lactate	90.69
butyl lactate	121.12
diethyl carbonate	75.86
propanediol butyl ether	269.32
triethyl orthoformate	103.73
p-tert-butyltoluene	52.91
methyl 4-tert-butylbenzoate	112.72
morpholine	603.67
tert-butylamine	386.07
n-dodecanol	87.86
dimethoxymethane	204.09
ethylene carbonate	120.25
cyrene	157.49
2-ethoxyethyl acetate	122.08
2-ethylhexyl acetate	123.84
1,2,4-trichlorobenzene	102.94
4-methylpyridine	194.97
dibutyl ether	136.54
2,6-dimethyl-4-heptanol	107.91
DEF	155.4
dimethyl isosorbide	234.1
tetrachloroethylene	187.34
eugenol	142.39
triacetin	128.84
span 80	227.5
1,4-butanediol	232.39
1,1-dichloroethane	186.24
2-methyl-1-pentanol	233.71
methyl formate	129.85
2-methyl-1-butanol	323.44
n-decane	28.9
butyronitrile	275.12
3,7-dimethyl-1-octanol	145.24
1-chlorooctane	79.53
1-chlorotetradecane	36.07
n-nonane	28.8
undecane	21.87
tert-butylcyclohexane	26.89
cyclooctane	23.57
cyclopentanol	427.42
tetrahydropyran	497.58
tert-amyl methyl ether	124.41
2,5,8-trioxanonane	335.9
1-hexene	147.19
2-isopropoxyethanol	241.71
2,2,2-trifluoroethanol	93.26
methyl butyrate	123.98

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