Molecular formula
C11H22OS

SMILES
CCCCCCCCCC(=S)OC

Fragrance
Fatty	49.29%
Cheesy	42.05%
Sulfurous	39.55%
Waxy	37.32%
Meaty	36.6%
Savory	34.43%
Dairy	31.44%
Tropical	29.51%
Roasted	27.26%
Vegetable	26.47%

 

Flavor
Waxy	66.46%
Fruity	49.39%
Floral	46.56%
Fatty	46.41%
Soapy	45.16%
Oily	43.1%
Sweet	37.14%
Coconut	36.9%
Green	36.54%
Creamy	35.95%

 

Odor impact est.
Low

XLogP3-AA
4.8

pKa est.
9.71 (weak base)

Molecular weight
202.36 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
278°C

Flash point

• 92.11 ˚C est.

• SCHEMBL4300390

O-methyl decanethioate is primarily used as a chemical intermediate in organic synthesis, serving as an acyl-transfer thioester for preparing sulfur-containing derivatives. It may be evaluated as a fragrance-related material in perfumery and cosmetics, contributing sulfur-containing notes under regulated formulation. In industrial manufacturing, it acts as a building block for sulfur-containing monomers and additives used in polymers and plastics, coatings, and adhesives. It is also applicable as a process chemical in research and development to explore thioester chemistry and related transformations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	997.03
methanol	660.45
isopropanol	923.81
water	0.02
ethyl acetate	2124.04
n-propanol	973.3
acetone	3044.6
n-butanol	941.11
acetonitrile	1425.7
DMF	1390.4
toluene	1095.11
isobutanol	701.05
1,4-dioxane	3405.13
methyl acetate	1484.23
THF	4153.46
2-butanone	2399.13
n-pentanol	688.99
sec-butanol	902.36
n-hexane	213.21
ethylene glycol	71.51
NMP	1243.45
cyclohexane	864.38
DMSO	2615.58
n-butyl acetate	1787.25
n-octanol	305.41
chloroform	4554.15
n-propyl acetate	1440.24
acetic acid	835.49
dichloromethane	3958.18
cyclohexanone	3918.33
propylene glycol	193.34
isopropyl acetate	1213.8
DMAc	1025.49
2-ethoxyethanol	1013.43
isopentanol	805.15
n-heptane	213.28
ethyl formate	816.85
1,2-dichloroethane	2875.39
n-hexanol	783.63
2-methoxyethanol	1305.69
isobutyl acetate	777.47
tetrachloromethane	881.31
n-pentyl acetate	917.54
transcutol	4127.88
n-heptanol	291.27
ethylbenzene	477.02
MIBK	926.14
2-propoxyethanol	1153.14
tert-butanol	1258.57
MTBE	1659.33
2-butoxyethanol	624.09
propionic acid	652.24
o-xylene	539.04
formic acid	104.68
diethyl ether	2314.13
m-xylene	591.41
p-xylene	618.85
chlorobenzene	1359.35
dimethyl carbonate	252.41
n-octane	65.43
formamide	218.32
cyclopentanone	2926.48
2-pentanone	1983.23
anisole	867.57
cyclopentyl methyl ether	1962.15
gamma-butyrolactone	2202.89
1-methoxy-2-propanol	1038.62
pyridine	2629.06
3-pentanone	1395.19
furfural	1796.43
n-dodecane	39.6
diethylene glycol	566.94
diisopropyl ether	531.07
tert-amyl alcohol	952.64
acetylacetone	1766.81
n-hexadecane	49.35
acetophenone	795.91
methyl propionate	1050.32
isopentyl acetate	1353.73
trichloroethylene	4778.85
n-nonanol	279.2
cyclohexanol	1378.48
benzyl alcohol	611.17
2-ethylhexanol	546.66
isooctanol	279.64
dipropyl ether	1266.81
1,2-dichlorobenzene	1124.96
ethyl lactate	336.58
propylene carbonate	1174.53
n-methylformamide	527.06
2-pentanol	705.14
n-pentane	176.92
1-propoxy-2-propanol	1051.13
1-methoxy-2-propyl acetate	1214.77
2-(2-methoxypropoxy) propanol	622.09
mesitylene	370.67
ε-caprolactone	2275.02
p-cymene	317.65
epichlorohydrin	2991.79
1,1,1-trichloroethane	3355.81
2-aminoethanol	240.23
morpholine-4-carbaldehyde	1616.16
sulfolane	2419.41
2,2,4-trimethylpentane	76.5
2-methyltetrahydrofuran	3263.11
n-hexyl acetate	926.42
isooctane	66.38
2-(2-butoxyethoxy)ethanol	910.97
sec-butyl acetate	901.99
tert-butyl acetate	1281.23
decalin	186.76
glycerin	231.91
diglyme	1973.96
acrylic acid	432.78
isopropyl myristate	375.55
n-butyric acid	1294.69
acetyl acetate	1091.77
di(2-ethylhexyl) phthalate	262.69
ethyl propionate	972.51
nitromethane	1781.2
1,2-diethoxyethane	2079.67
benzonitrile	1077.88
trioctyl phosphate	206.16
1-bromopropane	1891.94
gamma-valerolactone	3077.17
n-decanol	200.53
triethyl phosphate	381.57
4-methyl-2-pentanol	354.02
propionitrile	1136.4
vinylene carbonate	957.25
1,1,2-trichlorotrifluoroethane	1599.69
DMS	630.66
cumene	262.89
2-octanol	239.78
2-hexanone	1389.23
octyl acetate	418.69
limonene	578.8
1,2-dimethoxyethane	2279.0
ethyl orthosilicate	391.33
tributyl phosphate	294.74
diacetone alcohol	956.61
N,N-dimethylaniline	457.99
acrylonitrile	1073.7
aniline	902.58
1,3-propanediol	502.51
bromobenzene	1675.89
dibromomethane	2903.98
1,1,2,2-tetrachloroethane	3927.82
2-methyl-cyclohexyl acetate	725.81
tetrabutyl urea	374.58
diisobutyl methanol	364.18
2-phenylethanol	580.12
styrene	689.85
dioctyl adipate	540.22
dimethyl sulfate	441.39
ethyl butyrate	1155.38
methyl lactate	295.23
butyl lactate	521.81
diethyl carbonate	648.52
propanediol butyl ether	519.96
triethyl orthoformate	745.76
p-tert-butyltoluene	307.2
methyl 4-tert-butylbenzoate	561.22
morpholine	3700.97
tert-butylamine	836.86
n-dodecanol	155.42
dimethoxymethane	1020.76
ethylene carbonate	951.93
cyrene	535.66
2-ethoxyethyl acetate	1138.61
2-ethylhexyl acetate	1068.26
1,2,4-trichlorobenzene	1298.43
4-methylpyridine	2142.74
dibutyl ether	956.66
2,6-dimethyl-4-heptanol	364.18
DEF	1502.67
dimethyl isosorbide	1169.72
tetrachloroethylene	2449.95
eugenol	498.94
triacetin	885.82
span 80	630.5
1,4-butanediol	204.76
1,1-dichloroethane	3055.62
2-methyl-1-pentanol	531.41
methyl formate	427.62
2-methyl-1-butanol	693.53
n-decane	81.32
butyronitrile	1384.87
3,7-dimethyl-1-octanol	374.85
1-chlorooctane	375.17
1-chlorotetradecane	129.14
n-nonane	87.77
undecane	53.25
tert-butylcyclohexane	133.09
cyclooctane	199.06
cyclopentanol	1170.92
tetrahydropyran	4719.8
tert-amyl methyl ether	979.63
2,5,8-trioxanonane	1206.94
1-hexene	786.11
2-isopropoxyethanol	729.76
2,2,2-trifluoroethanol	203.99
methyl butyrate	1403.96

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