Molecular formula
C7H12OS

SMILES
CCCC(=O)SCC=C

Fragrance
Fruity	85.05%
Sulfurous	71.62%
Tropical	60.74%
Sweet	58.49%
Onion	52.3%
Green	46.98%
Garlic	42.58%
Pineapple	41.35%
Alliaceous	41.29%
Cheesy	39.73%

 

Flavor
Onion	57.07%
Garlic	53.27%
Sulfurous	43.87%
Sulfury	42.78%
Cooked	38.31%
Cabbage	36.6%
Roasted	35.96%
Alliaceous	29.85%
Tomato	28.54%
Metallic	27.51%

 

Odor impact est.
High

XLogP3-AA
2.1

pKa est.
7.64 (neutral)

Molecular weight
144.24 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
197°C

Flash point

• 62.7 ˚C est.

• NS00123414

S-prop-2-enyl butanethioate is an allyl thioester that can serve as an organic synthesis intermediate, enabling allyl introduction and acyl-transfer reactions. In practice, it may be used as a precursor or component for fragrance and flavor compounds in perfumery and flavor industries; in cosmetics and personal care, it may be considered as a precursor or additive for preparing aroma-related materials; in industrial manufacturing, it can serve as an intermediate for synthesizing more complex organics and as a functional building block for polymer and plastics applications via the allyl functionality; in coatings and inks, it may be used as an intermediate or modifier to introduce reactive functionality and promote crosslinking.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	895.5
methanol	1159.8
isopropanol	809.27
water	1.76
ethyl acetate	625.01
n-propanol	798.96
acetone	1189.76
n-butanol	820.07
acetonitrile	786.71
DMF	1916.31
toluene	558.65
isobutanol	700.96
1,4-dioxane	1188.88
methyl acetate	668.85
THF	1525.33
2-butanone	946.6
n-pentanol	685.27
sec-butanol	835.38
n-hexane	250.9
ethylene glycol	211.44
NMP	1737.35
cyclohexane	409.49
DMSO	1506.95
n-butyl acetate	966.66
n-octanol	535.72
chloroform	2089.71
n-propyl acetate	587.35
acetic acid	918.5
dichloromethane	1604.02
cyclohexanone	1741.79
propylene glycol	302.96
isopropyl acetate	427.62
DMAc	1185.34
2-ethoxyethanol	655.78
isopentanol	690.61
n-heptane	190.04
ethyl formate	533.38
1,2-dichloroethane	1015.06
n-hexanol	908.7
2-methoxyethanol	958.05
isobutyl acetate	411.6
tetrachloromethane	398.03
n-pentyl acetate	596.46
transcutol	1934.94
n-heptanol	427.24
ethylbenzene	397.35
MIBK	475.66
2-propoxyethanol	1008.65
tert-butanol	943.58
MTBE	725.05
2-butoxyethanol	563.25
propionic acid	725.65
o-xylene	396.89
formic acid	224.36
diethyl ether	704.59
m-xylene	402.89
p-xylene	508.98
chlorobenzene	844.42
dimethyl carbonate	233.79
n-octane	93.45
formamide	300.52
cyclopentanone	1616.96
2-pentanone	793.11
anisole	623.1
cyclopentyl methyl ether	838.83
gamma-butyrolactone	1506.08
1-methoxy-2-propanol	771.09
pyridine	1284.87
3-pentanone	586.44
furfural	1411.02
n-dodecane	73.99
diethylene glycol	645.49
diisopropyl ether	247.76
tert-amyl alcohol	837.77
acetylacetone	722.6
n-hexadecane	85.33
acetophenone	679.82
methyl propionate	506.35
isopentyl acetate	816.47
trichloroethylene	2098.15
n-nonanol	442.04
cyclohexanol	1009.52
benzyl alcohol	572.27
2-ethylhexanol	599.67
isooctanol	357.51
dipropyl ether	544.57
1,2-dichlorobenzene	755.45
ethyl lactate	300.87
propylene carbonate	886.79
n-methylformamide	751.32
2-pentanol	618.1
n-pentane	204.25
1-propoxy-2-propanol	835.51
1-methoxy-2-propyl acetate	666.27
2-(2-methoxypropoxy) propanol	584.51
mesitylene	300.16
ε-caprolactone	1234.84
p-cymene	293.68
epichlorohydrin	1247.74
1,1,1-trichloroethane	1209.49
2-aminoethanol	397.3
morpholine-4-carbaldehyde	1368.12
sulfolane	1866.49
2,2,4-trimethylpentane	99.13
2-methyltetrahydrofuran	1344.56
n-hexyl acetate	891.07
isooctane	88.32
2-(2-butoxyethoxy)ethanol	780.5
sec-butyl acetate	421.64
tert-butyl acetate	532.91
decalin	177.46
glycerin	377.94
diglyme	1233.19
acrylic acid	676.3
isopropyl myristate	342.33
n-butyric acid	1006.39
acetyl acetate	402.93
di(2-ethylhexyl) phthalate	298.85
ethyl propionate	426.01
nitromethane	1260.62
1,2-diethoxyethane	800.51
benzonitrile	917.92
trioctyl phosphate	239.03
1-bromopropane	801.43
gamma-valerolactone	1684.85
n-decanol	324.43
triethyl phosphate	278.2
4-methyl-2-pentanol	348.1
propionitrile	723.46
vinylene carbonate	861.3
1,1,2-trichlorotrifluoroethane	909.28
DMS	492.32
cumene	273.27
2-octanol	381.86
2-hexanone	772.75
octyl acetate	423.64
limonene	488.77
1,2-dimethoxyethane	1168.72
ethyl orthosilicate	283.17
tributyl phosphate	307.86
diacetone alcohol	601.48
N,N-dimethylaniline	469.01
acrylonitrile	858.06
aniline	633.4
1,3-propanediol	571.66
bromobenzene	932.93
dibromomethane	1205.36
1,1,2,2-tetrachloroethane	1670.8
2-methyl-cyclohexyl acetate	526.49
tetrabutyl urea	432.46
diisobutyl methanol	345.85
2-phenylethanol	593.16
styrene	516.41
dioctyl adipate	427.71
dimethyl sulfate	422.64
ethyl butyrate	568.33
methyl lactate	332.02
butyl lactate	483.08
diethyl carbonate	380.56
propanediol butyl ether	655.5
triethyl orthoformate	404.26
p-tert-butyltoluene	283.85
methyl 4-tert-butylbenzoate	546.52
morpholine	1341.12
tert-butylamine	649.32
n-dodecanol	253.59
dimethoxymethane	663.32
ethylene carbonate	664.55
cyrene	500.29
2-ethoxyethyl acetate	593.35
2-ethylhexyl acetate	648.4
1,2,4-trichlorobenzene	852.51
4-methylpyridine	1371.91
dibutyl ether	625.16
2,6-dimethyl-4-heptanol	345.85
DEF	962.92
dimethyl isosorbide	850.79
tetrachloroethylene	1085.73
eugenol	576.3
triacetin	621.69
span 80	609.31
1,4-butanediol	324.53
1,1-dichloroethane	1189.33
2-methyl-1-pentanol	606.69
methyl formate	566.01
2-methyl-1-butanol	701.68
n-decane	127.57
butyronitrile	942.43
3,7-dimethyl-1-octanol	493.15
1-chlorooctane	419.46
1-chlorotetradecane	168.13
n-nonane	135.09
undecane	93.83
tert-butylcyclohexane	168.43
cyclooctane	133.65
cyclopentanol	927.89
tetrahydropyran	1469.72
tert-amyl methyl ether	571.68
2,5,8-trioxanonane	848.58
1-hexene	659.21
2-isopropoxyethanol	518.91
2,2,2-trifluoroethanol	271.4
methyl butyrate	691.53

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