Molecular formula
C4H8S

SMILES
CCCC=S

Fragrance
Pungent	61.66%
Onion	59.25%
Garlic	58.72%
Alliaceous	55.74%
Sulfurous	52.31%
Radish	47.32%
Cabbage	42.01%
Vegetable	41.73%
Cheesy	37.26%
Green	37.24%

 

Flavor
Fruity	77.06%
Green	68.88%
Fatty	63.27%
Nutty	59.22%
Vegetable	55.66%
Pungent	51.42%
Wine like	49.0%
Herbaceous	48.94%
Earthy	46.84%
Meaty	46.5%

 

Odor impact est.
Low

XLogP3-AA
1.2

pKa est.
10.38 (weak base)

Molecular weight
88.17 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra fast

Boiling point est.
146°C

Flash point

• 12.54 ˚C est.

• Butanthial
• QYYAEQQRMTZUPJ-UHFFFAOYSA-N

Butanthial may be used as an odorant in perfumery and cosmetics, and as a flavor note in the food and beverage sector; it is also evaluated as an intermediate in organic synthesis for preparing other sulfur-containing compounds; in industrial manufacturing it can serve as a reactive intermediate; in coatings and inks it may function as a fragrance additive or a synthetic intermediate; and in household cleaning products it can appear as a scent component, subject to local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	524.13
methanol	402.03
isopropanol	372.35
water	0.12
ethyl acetate	586.23
n-propanol	423.04
acetone	1005.59
n-butanol	474.58
acetonitrile	505.61
DMF	574.22
toluene	440.84
isobutanol	302.46
1,4-dioxane	1011.02
methyl acetate	446.77
THF	1686.7
2-butanone	686.03
n-pentanol	310.9
sec-butanol	352.59
n-hexane	239.13
ethylene glycol	73.94
NMP	590.92
cyclohexane	530.01
DMSO	938.43
n-butyl acetate	1002.89
n-octanol	237.53
chloroform	982.88
n-propyl acetate	427.48
acetic acid	437.09
dichloromethane	943.72
cyclohexanone	1144.44
propylene glycol	103.54
isopropyl acetate	338.41
DMAc	350.68
2-ethoxyethanol	308.16
isopentanol	353.65
n-heptane	424.87
ethyl formate	319.13
1,2-dichloroethane	669.35
n-hexanol	700.08
2-methoxyethanol	506.17
isobutyl acetate	274.76
tetrachloromethane	307.83
n-pentyl acetate	367.2
transcutol	1322.47
n-heptanol	245.94
ethylbenzene	188.35
MIBK	346.14
2-propoxyethanol	697.03
tert-butanol	482.12
MTBE	517.33
2-butoxyethanol	329.41
propionic acid	288.81
o-xylene	223.68
formic acid	66.26
diethyl ether	774.76
m-xylene	262.36
p-xylene	234.07
chlorobenzene	503.46
dimethyl carbonate	127.18
n-octane	103.72
formamide	96.03
cyclopentanone	1136.05
2-pentanone	682.58
anisole	325.77
cyclopentyl methyl ether	786.01
gamma-butyrolactone	843.36
1-methoxy-2-propanol	395.76
pyridine	863.39
3-pentanone	461.17
furfural	687.25
n-dodecane	57.64
diethylene glycol	343.86
diisopropyl ether	239.9
tert-amyl alcohol	361.87
acetylacetone	600.74
n-hexadecane	66.26
acetophenone	283.82
methyl propionate	336.79
isopentyl acetate	687.81
trichloroethylene	1081.58
n-nonanol	199.88
cyclohexanol	532.52
benzyl alcohol	224.64
2-ethylhexanol	466.81
isooctanol	188.8
dipropyl ether	778.22
1,2-dichlorobenzene	375.04
ethyl lactate	125.33
propylene carbonate	470.41
n-methylformamide	255.96
2-pentanol	337.24
n-pentane	241.87
1-propoxy-2-propanol	642.59
1-methoxy-2-propyl acetate	551.09
2-(2-methoxypropoxy) propanol	292.78
mesitylene	184.87
ε-caprolactone	713.14
p-cymene	230.75
epichlorohydrin	824.35
1,1,1-trichloroethane	767.09
2-aminoethanol	136.47
morpholine-4-carbaldehyde	622.0
sulfolane	903.31
2,2,4-trimethylpentane	84.8
2-methyltetrahydrofuran	1224.11
n-hexyl acetate	448.66
isooctane	82.68
2-(2-butoxyethoxy)ethanol	431.26
sec-butyl acetate	249.08
tert-butyl acetate	386.78
decalin	125.95
glycerin	125.4
diglyme	768.67
acrylic acid	224.32
isopropyl myristate	201.56
n-butyric acid	536.8
acetyl acetate	326.67
di(2-ethylhexyl) phthalate	153.64
ethyl propionate	275.91
nitromethane	564.25
1,2-diethoxyethane	777.07
benzonitrile	397.6
trioctyl phosphate	127.29
1-bromopropane	636.17
gamma-valerolactone	1003.21
n-decanol	157.4
triethyl phosphate	169.38
4-methyl-2-pentanol	184.03
propionitrile	402.63
vinylene carbonate	378.9
1,1,2-trichlorotrifluoroethane	443.75
DMS	264.89
cumene	124.37
2-octanol	174.28
2-hexanone	515.9
octyl acetate	238.45
limonene	436.31
1,2-dimethoxyethane	653.11
ethyl orthosilicate	182.89
tributyl phosphate	164.08
diacetone alcohol	375.77
N,N-dimethylaniline	191.72
acrylonitrile	390.09
aniline	350.42
1,3-propanediol	254.28
bromobenzene	548.7
dibromomethane	835.03
1,1,2,2-tetrachloroethane	771.2
2-methyl-cyclohexyl acetate	343.58
tetrabutyl urea	214.52
diisobutyl methanol	275.33
2-phenylethanol	337.98
styrene	266.85
dioctyl adipate	249.31
dimethyl sulfate	192.96
ethyl butyrate	510.87
methyl lactate	135.12
butyl lactate	227.26
diethyl carbonate	264.85
propanediol butyl ether	265.74
triethyl orthoformate	329.61
p-tert-butyltoluene	225.88
methyl 4-tert-butylbenzoate	233.36
morpholine	1036.58
tert-butylamine	344.55
n-dodecanol	134.04
dimethoxymethane	446.13
ethylene carbonate	337.68
cyrene	232.56
2-ethoxyethyl acetate	409.12
2-ethylhexyl acetate	590.4
1,2,4-trichlorobenzene	396.74
4-methylpyridine	758.38
dibutyl ether	469.98
2,6-dimethyl-4-heptanol	275.33
DEF	471.73
dimethyl isosorbide	529.0
tetrachloroethylene	557.25
eugenol	228.49
triacetin	323.41
span 80	334.16
1,4-butanediol	108.83
1,1-dichloroethane	697.88
2-methyl-1-pentanol	263.33
methyl formate	224.66
2-methyl-1-butanol	328.3
n-decane	98.32
butyronitrile	592.13
3,7-dimethyl-1-octanol	274.38
1-chlorooctane	256.63
1-chlorotetradecane	110.97
n-nonane	117.76
undecane	71.52
tert-butylcyclohexane	111.93
cyclooctane	189.36
cyclopentanol	496.39
tetrahydropyran	1444.64
tert-amyl methyl ether	369.41
2,5,8-trioxanonane	523.92
1-hexene	466.24
2-isopropoxyethanol	249.1
2,2,2-trifluoroethanol	94.05
methyl butyrate	391.99

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