Molecular formula
C5H10OS

SMILES
CCC(C)C(=O)S

Fragrance
Fruity	87.95%
Sulfurous	80.5%
Cheesy	78.11%
Tropical	70.6%
Ripe	41.14%
Vegetable	36.91%
Meaty	36.2%
Dairy	35.44%
Roasted	31.66%
Savory	29.18%

 

Flavor
Cheese	49.95%
Sour	31.79%
Acidic	30.83%
Sulfury	29.46%
Pungent	27.73%
Sulfurous	27.49%
Sweat	26.72%
Onion	26.67%
Animal	25.22%
Cheesy	24.75%

 

Odor impact est.
High

XLogP3-AA
1.7

pKa est.
8.3 (weak base)

Molecular weight
118.2 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra fast

Boiling point est.
147°C

Flash point

• 50.78 ˚C est.

• SCHEMBL877977

2-methylbutanethioic S-acid may serve as an organic-synthesis intermediate for forming thioesters and other sulfur-containing derivatives; may be evaluated as a sulfur-containing building block for fragrance and flavor compounds; may function as a reagent in polymer and plastics chemistry to introduce sulfur functionalities; may act as a synthetic intermediate in pharmaceutical research for sulfur-containing molecules; and is commonly used as a general research reagent in organosulfur chemistry, with actual applications dependent on local regulations and formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	298.69
methanol	432.13
isopropanol	186.32
water	7.1
ethyl acetate	131.36
n-propanol	192.45
acetone	257.0
n-butanol	176.97
acetonitrile	172.86
DMF	249.35
toluene	42.21
isobutanol	134.92
1,4-dioxane	315.38
methyl acetate	151.04
THF	383.17
2-butanone	182.74
n-pentanol	149.59
sec-butanol	142.24
n-hexane	20.51
ethylene glycol	88.52
NMP	363.27
cyclohexane	18.33
DMSO	321.65
n-butyl acetate	171.39
n-octanol	96.63
chloroform	327.98
n-propyl acetate	115.3
acetic acid	404.68
dichloromethane	260.26
cyclohexanone	274.09
propylene glycol	82.53
isopropyl acetate	93.21
DMAc	193.92
2-ethoxyethanol	207.27
isopentanol	147.65
n-heptane	14.96
ethyl formate	116.17
1,2-dichloroethane	156.25
n-hexanol	172.52
2-methoxyethanol	285.59
isobutyl acetate	82.17
tetrachloromethane	85.25
n-pentyl acetate	129.51
transcutol	753.15
n-heptanol	95.84
ethylbenzene	39.68
MIBK	108.42
2-propoxyethanol	242.16
tert-butanol	225.88
MTBE	133.49
2-butoxyethanol	165.3
propionic acid	185.29
o-xylene	47.35
formic acid	190.85
diethyl ether	125.46
m-xylene	44.78
p-xylene	61.75
chlorobenzene	115.07
dimethyl carbonate	34.89
n-octane	8.82
formamide	207.4
cyclopentanone	334.84
2-pentanone	149.51
anisole	106.62
cyclopentyl methyl ether	146.74
gamma-butyrolactone	356.18
1-methoxy-2-propanol	182.47
pyridine	180.44
3-pentanone	95.03
furfural	352.28
n-dodecane	7.72
diethylene glycol	214.68
diisopropyl ether	45.95
tert-amyl alcohol	171.63
acetylacetone	191.67
n-hexadecane	8.53
acetophenone	121.19
methyl propionate	88.24
isopentyl acetate	155.86
trichloroethylene	341.01
n-nonanol	85.05
cyclohexanol	139.66
benzyl alcohol	106.03
2-ethylhexanol	101.58
isooctanol	79.45
dipropyl ether	76.4
1,2-dichlorobenzene	123.4
ethyl lactate	62.73
propylene carbonate	183.28
n-methylformamide	160.6
2-pentanol	104.12
n-pentane	16.66
1-propoxy-2-propanol	165.89
1-methoxy-2-propyl acetate	154.25
2-(2-methoxypropoxy) propanol	178.91
mesitylene	36.93
ε-caprolactone	237.9
p-cymene	45.69
epichlorohydrin	283.41
1,1,1-trichloroethane	188.14
2-aminoethanol	148.3
morpholine-4-carbaldehyde	312.58
sulfolane	411.07
2,2,4-trimethylpentane	13.12
2-methyltetrahydrofuran	282.54
n-hexyl acetate	177.32
isooctane	10.41
2-(2-butoxyethoxy)ethanol	248.76
sec-butyl acetate	85.12
tert-butyl acetate	127.59
decalin	15.89
glycerin	123.09
diglyme	359.65
acrylic acid	168.86
isopropyl myristate	68.66
n-butyric acid	208.53
acetyl acetate	105.4
di(2-ethylhexyl) phthalate	81.57
ethyl propionate	81.23
nitromethane	386.29
1,2-diethoxyethane	200.72
benzonitrile	148.26
trioctyl phosphate	58.06
1-bromopropane	96.57
gamma-valerolactone	378.06
n-decanol	61.2
triethyl phosphate	60.17
4-methyl-2-pentanol	72.53
propionitrile	112.45
vinylene carbonate	157.55
1,1,2-trichlorotrifluoroethane	228.13
DMS	111.13
cumene	40.17
2-octanol	70.4
2-hexanone	149.91
octyl acetate	87.56
limonene	68.11
1,2-dimethoxyethane	249.56
ethyl orthosilicate	62.88
tributyl phosphate	72.57
diacetone alcohol	164.27
N,N-dimethylaniline	80.87
acrylonitrile	144.51
aniline	95.21
1,3-propanediol	189.75
bromobenzene	94.96
dibromomethane	186.24
1,1,2,2-tetrachloroethane	245.91
2-methyl-cyclohexyl acetate	109.93
tetrabutyl urea	88.08
diisobutyl methanol	63.26
2-phenylethanol	132.47
styrene	51.06
dioctyl adipate	103.79
dimethyl sulfate	73.82
ethyl butyrate	103.03
methyl lactate	65.18
butyl lactate	108.48
diethyl carbonate	67.59
propanediol butyl ether	167.94
triethyl orthoformate	79.89
p-tert-butyltoluene	43.95
methyl 4-tert-butylbenzoate	131.93
morpholine	297.86
tert-butylamine	139.65
n-dodecanol	46.17
dimethoxymethane	126.06
ethylene carbonate	122.14
cyrene	161.2
2-ethoxyethyl acetate	180.54
2-ethylhexyl acetate	120.4
1,2,4-trichlorobenzene	158.39
4-methylpyridine	183.07
dibutyl ether	89.55
2,6-dimethyl-4-heptanol	63.26
DEF	136.25
dimethyl isosorbide	254.35
tetrachloroethylene	197.26
eugenol	149.23
triacetin	161.49
span 80	169.91
1,4-butanediol	101.69
1,1-dichloroethane	170.78
2-methyl-1-pentanol	138.94
methyl formate	121.55
2-methyl-1-butanol	130.1
n-decane	12.81
butyronitrile	134.64
3,7-dimethyl-1-octanol	94.02
1-chlorooctane	54.82
1-chlorotetradecane	22.75
n-nonane	12.43
undecane	9.61
tert-butylcyclohexane	18.75
cyclooctane	7.02
cyclopentanol	166.63
tetrahydropyran	230.97
tert-amyl methyl ether	99.05
2,5,8-trioxanonane	264.2
1-hexene	69.37
2-isopropoxyethanol	149.07
2,2,2-trifluoroethanol	131.63
methyl butyrate	119.71

Scent© AI