Molecular formula
C10H20O2S

SMILES
CCCCCCOC(=O)C(CC)S

Fragrance
Fruity	90.47%
Green	82.26%
Tropical	72.35%
Herbal	53.67%
Sulfurous	42.18%
Grapefruit	40.59%
Black currant	36.74%
Vegetable	36.63%
Sweet	34.27%
Pineapple	30.65%

 

Flavor
Fruity	49.33%
Green	32.08%
Tropical	30.19%
Oily	27.92%
Mushroom	26.08%
Cheese	25.7%
Fatty	23.84%
Sulfury	23.81%
Waxy	22.6%
Herbal	22.19%

 

Odor impact est.
Medium

XLogP3-AA
3.7

pKa est.
7.19 (neutral)

Molecular weight
204.33 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
254°C

Flash point

• 88.67 ˚C est.

• SCHEMBL150498

Hexyl 2-sulfanylbutanoate is used as a fragrance ingredient and odorant in perfumery and cosmetic formulations, and can serve as an intermediate in organic synthesis for aroma-related compounds. It may be incorporated into household cleaning products to impart or modify scent, and into coatings or inks as a fragrance additive. In industrial manufacturing, it often serves as a building block for the synthesis of aroma esters and related sulfur-containing compounds, and in cosmetics/personal care as a scent component in lotions, soaps, and related products.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	4918.47
methanol	5590.86
isopropanol	4147.59
water	0.54
ethyl acetate	3981.66
n-propanol	3391.89
acetone	9669.07
n-butanol	2973.75
acetonitrile	4920.42
DMF	6169.0
toluene	1311.15
isobutanol	2747.73
1,4-dioxane	4691.75
methyl acetate	3559.28
THF	5853.4
2-butanone	5445.34
n-pentanol	2176.41
sec-butanol	3422.06
n-hexane	310.3
ethylene glycol	400.21
NMP	4196.37
cyclohexane	663.35
DMSO	6349.75
n-butyl acetate	2938.47
n-octanol	725.52
chloroform	6623.24
n-propyl acetate	2617.83
acetic acid	4584.75
dichloromethane	6167.57
cyclohexanone	6485.47
propylene glycol	687.55
isopropyl acetate	2215.5
DMAc	3542.84
2-ethoxyethanol	2219.51
isopentanol	2652.31
n-heptane	119.53
ethyl formate	2087.65
1,2-dichloroethane	4969.35
n-hexanol	1643.19
2-methoxyethanol	3606.07
isobutyl acetate	1422.78
tetrachloromethane	892.89
n-pentyl acetate	1725.18
transcutol	6522.23
n-heptanol	671.12
ethylbenzene	692.4
MIBK	1879.02
2-propoxyethanol	2126.71
tert-butanol	4247.36
MTBE	3799.95
2-butoxyethanol	1194.81
propionic acid	2475.37
o-xylene	746.88
formic acid	943.27
diethyl ether	3659.66
m-xylene	805.82
p-xylene	1074.96
chlorobenzene	2229.39
dimethyl carbonate	622.99
n-octane	70.39
formamide	1637.73
cyclopentanone	5671.6
2-pentanone	4115.81
anisole	1326.88
cyclopentyl methyl ether	2506.7
gamma-butyrolactone	5271.51
1-methoxy-2-propanol	2420.61
pyridine	4668.17
3-pentanone	2392.1
furfural	3462.44
n-dodecane	53.85
diethylene glycol	1307.7
diisopropyl ether	853.06
tert-amyl alcohol	3251.34
acetylacetone	3369.12
n-hexadecane	65.18
acetophenone	1441.18
methyl propionate	2234.81
isopentyl acetate	2322.54
trichloroethylene	8655.53
n-nonanol	586.24
cyclohexanol	2949.27
benzyl alcohol	1221.08
2-ethylhexanol	839.35
isooctanol	571.25
dipropyl ether	925.78
1,2-dichlorobenzene	1687.7
ethyl lactate	588.68
propylene carbonate	2343.03
n-methylformamide	2766.84
2-pentanol	2227.36
n-pentane	245.13
1-propoxy-2-propanol	1594.16
1-methoxy-2-propyl acetate	1710.38
2-(2-methoxypropoxy) propanol	922.54
mesitylene	497.5
ε-caprolactone	4425.61
p-cymene	355.04
epichlorohydrin	5394.21
1,1,1-trichloroethane	4457.06
2-aminoethanol	1059.15
morpholine-4-carbaldehyde	3465.59
sulfolane	4834.63
2,2,4-trimethylpentane	131.62
2-methyltetrahydrofuran	4808.07
n-hexyl acetate	1974.58
isooctane	104.85
2-(2-butoxyethoxy)ethanol	1437.35
sec-butyl acetate	1497.6
tert-butyl acetate	2033.45
decalin	216.95
glycerin	777.79
diglyme	2874.45
acrylic acid	1935.26
isopropyl myristate	533.94
n-butyric acid	3731.96
acetyl acetate	1864.57
di(2-ethylhexyl) phthalate	450.24
ethyl propionate	1522.0
nitromethane	7266.93
1,2-diethoxyethane	2498.21
benzonitrile	2086.4
trioctyl phosphate	341.43
1-bromopropane	2933.62
gamma-valerolactone	5433.63
n-decanol	386.36
triethyl phosphate	430.15
4-methyl-2-pentanol	955.97
propionitrile	2732.09
vinylene carbonate	2060.06
1,1,2-trichlorotrifluoroethane	3039.02
DMS	1196.3
cumene	414.13
2-octanol	585.08
2-hexanone	2706.26
octyl acetate	679.29
limonene	634.48
1,2-dimethoxyethane	3879.13
ethyl orthosilicate	437.44
tributyl phosphate	464.5
diacetone alcohol	1941.23
N,N-dimethylaniline	801.7
acrylonitrile	3140.92
aniline	1522.38
1,3-propanediol	1825.41
bromobenzene	2399.23
dibromomethane	4435.93
1,1,2,2-tetrachloroethane	6424.43
2-methyl-cyclohexyl acetate	866.79
tetrabutyl urea	613.34
diisobutyl methanol	490.68
2-phenylethanol	1054.89
styrene	1063.31
dioctyl adipate	708.53
dimethyl sulfate	1014.46
ethyl butyrate	1303.64
methyl lactate	697.06
butyl lactate	1014.65
diethyl carbonate	745.68
propanediol butyl ether	1273.66
triethyl orthoformate	734.6
p-tert-butyltoluene	340.96
methyl 4-tert-butylbenzoate	872.86
morpholine	5914.04
tert-butylamine	2225.63
n-dodecanol	279.31
dimethoxymethane	2141.34
ethylene carbonate	1820.96
cyrene	875.63
2-ethoxyethyl acetate	1895.68
2-ethylhexyl acetate	1634.52
1,2,4-trichlorobenzene	1937.76
4-methylpyridine	4434.4
dibutyl ether	1157.62
2,6-dimethyl-4-heptanol	490.68
DEF	3304.09
dimethyl isosorbide	1532.8
tetrachloroethylene	3847.22
eugenol	908.54
triacetin	1325.62
span 80	947.79
1,4-butanediol	795.31
1,1-dichloroethane	5683.8
2-methyl-1-pentanol	1766.92
methyl formate	1899.57
2-methyl-1-butanol	2385.57
n-decane	105.85
butyronitrile	3545.55
3,7-dimethyl-1-octanol	719.65
1-chlorooctane	530.04
1-chlorotetradecane	178.33
n-nonane	105.73
undecane	71.26
tert-butylcyclohexane	184.51
cyclooctane	129.22
cyclopentanol	2714.89
tetrahydropyran	6059.79
tert-amyl methyl ether	2011.76
2,5,8-trioxanonane	1588.5
1-hexene	1441.06
2-isopropoxyethanol	1537.13
2,2,2-trifluoroethanol	971.58
methyl butyrate	2613.38

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