Molecular formula
C7H16OS

SMILES
CCCCCCC(O)S

Fragrance
Fruity	70.64%
Green	58.97%
Tropical	55.25%
Grapefruit	53.42%
Sulfurous	52.14%
Citrus	50.09%
Herbal	41.87%
Vegetable	37.88%
Fatty	36.83%
Meaty	34.73%

 

Flavor
Sulfurous	43.41%
Fatty	40.44%
Sulfury	34.2%
Green	34.02%
Meaty	30.26%
Mild	28.64%
Vegetable	28.05%
Fishy	26.52%
Onion	25.58%
Burnt	25.56%

 

Odor impact est.
High

XLogP3-AA
2.9

pKa est.
8.52 (weak base)

Molecular weight
148.27 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
222°C

Flash point

• 87.17 ˚C est.

• mercaptoheptanol
• SCHEMBL3148427

Mercaptoheptanol is used as a bifunctional building block in materials chemistry, providing both a thiol and a hydroxyl group to enable functionalization and integration into functional polymers and coatings; it can act as a reactive crosslinker or chain-transfer agent in radical polymerizations, helping tailor resin properties for coatings and adhesives; the thiol group enables surface modification of metals and other substrates, supporting the formation of self-assembled monolayers and surface grafting for electronics, sensors, or adhesion-promoting interfaces; it serves as an intermediate in the synthesis of specialty chemicals, including thiolated derivatives and fragrance-related compounds; and as a dual-functionality reagent it is commonly evaluated in research and development for surface chemistry and polymer science, with usage subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	3835.07
methanol	4499.83
isopropanol	2911.96
water	3.06
ethyl acetate	921.5
n-propanol	2804.54
acetone	3542.36
n-butanol	2593.31
acetonitrile	840.22
DMF	2195.48
toluene	233.86
isobutanol	1762.64
1,4-dioxane	1752.77
methyl acetate	764.39
THF	4003.71
2-butanone	1626.2
n-pentanol	1415.56
sec-butanol	1883.81
n-hexane	267.63
ethylene glycol	699.88
NMP	1231.74
cyclohexane	258.45
DMSO	3610.9
n-butyl acetate	1073.81
n-octanol	441.4
chloroform	1067.2
n-propyl acetate	820.58
acetic acid	1793.15
dichloromethane	711.83
cyclohexanone	1945.19
propylene glycol	1016.25
isopropyl acetate	612.41
DMAc	852.44
2-ethoxyethanol	1335.14
isopentanol	1722.55
n-heptane	150.15
ethyl formate	599.94
1,2-dichloroethane	733.86
n-hexanol	1470.44
2-methoxyethanol	2744.84
isobutyl acetate	507.06
tetrachloromethane	327.94
n-pentyl acetate	500.2
transcutol	2688.77
n-heptanol	504.13
ethylbenzene	126.1
MIBK	705.64
2-propoxyethanol	1664.67
tert-butanol	2763.88
MTBE	1502.19
2-butoxyethanol	814.04
propionic acid	1196.14
o-xylene	150.32
formic acid	613.06
diethyl ether	1378.84
m-xylene	188.88
p-xylene	192.78
chlorobenzene	331.26
dimethyl carbonate	180.4
n-octane	41.46
formamide	749.49
cyclopentanone	2338.38
2-pentanone	1515.04
anisole	323.99
cyclopentyl methyl ether	1355.16
gamma-butyrolactone	1634.91
1-methoxy-2-propanol	1817.57
pyridine	971.82
3-pentanone	717.27
furfural	1130.5
n-dodecane	22.6
diethylene glycol	1105.51
diisopropyl ether	347.47
tert-amyl alcohol	1605.75
acetylacetone	990.5
n-hexadecane	25.65
acetophenone	318.96
methyl propionate	594.81
isopentyl acetate	792.16
trichloroethylene	1238.01
n-nonanol	340.51
cyclohexanol	1455.95
benzyl alcohol	371.83
2-ethylhexanol	644.97
isooctanol	368.54
dipropyl ether	771.56
1,2-dichlorobenzene	284.67
ethyl lactate	273.08
propylene carbonate	744.0
n-methylformamide	1193.26
2-pentanol	1347.48
n-pentane	189.82
1-propoxy-2-propanol	1225.05
1-methoxy-2-propyl acetate	635.11
2-(2-methoxypropoxy) propanol	480.72
mesitylene	134.07
ε-caprolactone	1142.95
p-cymene	127.03
epichlorohydrin	1331.88
1,1,1-trichloroethane	732.81
2-aminoethanol	1422.4
morpholine-4-carbaldehyde	1148.39
sulfolane	1913.24
2,2,4-trimethylpentane	78.0
2-methyltetrahydrofuran	2345.42
n-hexyl acetate	644.68
isooctane	68.6
2-(2-butoxyethoxy)ethanol	789.15
sec-butyl acetate	429.13
tert-butyl acetate	728.09
decalin	75.6
glycerin	1066.12
diglyme	1322.05
acrylic acid	866.26
isopropyl myristate	190.06
n-butyric acid	1810.65
acetyl acetate	417.99
di(2-ethylhexyl) phthalate	181.51
ethyl propionate	438.48
nitromethane	1592.23
1,2-diethoxyethane	900.35
benzonitrile	437.35
trioctyl phosphate	166.7
1-bromopropane	559.46
gamma-valerolactone	1940.98
n-decanol	227.6
triethyl phosphate	191.54
4-methyl-2-pentanol	577.66
propionitrile	854.15
vinylene carbonate	563.52
1,1,2-trichlorotrifluoroethane	1119.06
DMS	301.19
cumene	104.59
2-octanol	325.95
2-hexanone	1165.26
octyl acetate	247.32
limonene	270.77
1,2-dimethoxyethane	1851.07
ethyl orthosilicate	212.3
tributyl phosphate	211.59
diacetone alcohol	937.08
N,N-dimethylaniline	210.81
acrylonitrile	784.83
aniline	504.19
1,3-propanediol	1973.83
bromobenzene	269.57
dibromomethane	635.31
1,1,2,2-tetrachloroethane	1108.09
2-methyl-cyclohexyl acetate	362.9
tetrabutyl urea	257.08
diisobutyl methanol	336.65
2-phenylethanol	434.66
styrene	177.84
dioctyl adipate	274.33
dimethyl sulfate	331.05
ethyl butyrate	525.26
methyl lactate	354.93
butyl lactate	438.64
diethyl carbonate	265.98
propanediol butyl ether	845.22
triethyl orthoformate	380.45
p-tert-butyltoluene	135.6
methyl 4-tert-butylbenzoate	318.82
morpholine	2366.41
tert-butylamine	1613.69
n-dodecanol	161.04
dimethoxymethane	1049.0
ethylene carbonate	534.03
cyrene	408.12
2-ethoxyethyl acetate	530.35
2-ethylhexyl acetate	585.33
1,2,4-trichlorobenzene	343.46
4-methylpyridine	826.17
dibutyl ether	506.06
2,6-dimethyl-4-heptanol	336.65
DEF	971.41
dimethyl isosorbide	639.07
tetrachloroethylene	918.47
eugenol	340.93
triacetin	445.67
span 80	547.66
1,4-butanediol	691.96
1,1-dichloroethane	831.31
2-methyl-1-pentanol	887.71
methyl formate	672.15
2-methyl-1-butanol	1438.28
n-decane	47.05
butyronitrile	1196.38
3,7-dimethyl-1-octanol	396.07
1-chlorooctane	208.97
1-chlorotetradecane	61.25
n-nonane	51.66
undecane	30.79
tert-butylcyclohexane	82.43
cyclooctane	67.56
cyclopentanol	1807.72
tetrahydropyran	2480.23
tert-amyl methyl ether	791.61
2,5,8-trioxanonane	762.3
1-hexene	766.87
2-isopropoxyethanol	840.09
2,2,2-trifluoroethanol	423.5
methyl butyrate	743.81

Scent© AI