Molecular formula
C8H13NOS

SMILES
CC(C)CC1=C(SC=N1)OC

Fragrance
Green	91.7%
Vegetable	66.5%
Earthy	48.02%
Leafy	42.6%
Nutty	42.6%
Roasted	32.06%
Tomato	31.25%
Herbal	29.76%
Fruity	28.98%
Tropical	28.55%

 

Flavor
Green	84.18%
Earthy	51.7%
Pepper	45.03%
Earth	40.43%
Pea	38.03%
Vegetable	36.12%
Herbal	32.58%
Galbanum	31.23%
Metallic	30.09%
Raw	29.35%

 

Odor impact est.
High

XLogP3-AA
2.9

pKa est.
7.12 (neutral)

Molecular weight
171.26 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
261°C

Flash point

• 82.56 ˚C est.

• 4-Isobutyl-5-Methoxythiazole
• SCHEMBL11577877
• Thiazole, 4-isobutyl-5-methoxy

4-Isobutyl-5-Methoxythiazole is a thiazole derivative with a distinctive fragrance and is commonly considered a fragrance ingredient. In practical use, it may serve as an odorant in perfumery, as a fragrance component in cosmetics and personal care products, as an aroma additive in flavor formulations when permitted, and as a fragrance or odorant additive in household products and cleaning agents; it can also be used as a functional intermediate or fragrance-related modifier in coatings, inks, and some polymer formulations, subject to processing conditions and local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	149.78
methanol	120.67
isopropanol	145.57
water	0.57
ethyl acetate	136.96
n-propanol	151.78
acetone	277.12
n-butanol	146.78
acetonitrile	152.7
DMF	490.45
toluene	185.37
isobutanol	137.55
1,4-dioxane	310.99
methyl acetate	185.3
THF	521.48
2-butanone	234.61
n-pentanol	124.14
sec-butanol	152.95
n-hexane	11.46
ethylene glycol	57.04
NMP	401.95
cyclohexane	48.93
DMSO	415.97
n-butyl acetate	182.64
n-octanol	109.34
chloroform	921.04
n-propyl acetate	132.69
acetic acid	218.4
dichloromethane	755.31
cyclohexanone	437.59
propylene glycol	94.11
isopropyl acetate	90.05
DMAc	312.85
2-ethoxyethanol	166.47
isopentanol	119.61
n-heptane	21.04
ethyl formate	174.78
1,2-dichloroethane	375.25
n-hexanol	174.91
2-methoxyethanol	241.91
isobutyl acetate	101.95
tetrachloromethane	151.72
n-pentyl acetate	127.98
transcutol	292.77
n-heptanol	106.77
ethylbenzene	101.49
MIBK	104.72
2-propoxyethanol	235.39
tert-butanol	168.36
MTBE	122.95
2-butoxyethanol	157.96
propionic acid	159.15
o-xylene	131.48
formic acid	46.89
diethyl ether	88.26
m-xylene	123.9
p-xylene	152.53
chlorobenzene	300.17
dimethyl carbonate	78.93
n-octane	14.73
formamide	74.03
cyclopentanone	484.38
2-pentanone	159.89
anisole	177.11
cyclopentyl methyl ether	185.84
gamma-butyrolactone	455.35
1-methoxy-2-propanol	192.24
pyridine	427.31
3-pentanone	126.28
furfural	503.11
n-dodecane	16.82
diethylene glycol	176.56
diisopropyl ether	36.08
tert-amyl alcohol	152.95
acetylacetone	189.66
n-hexadecane	19.56
acetophenone	197.82
methyl propionate	136.24
isopentyl acetate	165.98
trichloroethylene	879.37
n-nonanol	98.36
cyclohexanol	213.69
benzyl alcohol	198.15
2-ethylhexanol	117.84
isooctanol	89.15
dipropyl ether	84.55
1,2-dichlorobenzene	272.19
ethyl lactate	100.58
propylene carbonate	317.15
n-methylformamide	176.42
2-pentanol	96.5
n-pentane	14.36
1-propoxy-2-propanol	173.83
1-methoxy-2-propyl acetate	161.97
2-(2-methoxypropoxy) propanol	149.86
mesitylene	75.28
ε-caprolactone	314.2
p-cymene	93.54
epichlorohydrin	485.85
1,1,1-trichloroethane	436.01
2-aminoethanol	97.02
morpholine-4-carbaldehyde	383.15
sulfolane	530.1
2,2,4-trimethylpentane	16.4
2-methyltetrahydrofuran	310.55
n-hexyl acetate	168.14
isooctane	11.4
2-(2-butoxyethoxy)ethanol	183.77
sec-butyl acetate	85.19
tert-butyl acetate	107.63
decalin	29.54
glycerin	119.05
diglyme	307.53
acrylic acid	160.59
isopropyl myristate	82.36
n-butyric acid	205.51
acetyl acetate	112.02
di(2-ethylhexyl) phthalate	103.16
ethyl propionate	97.16
nitromethane	293.05
1,2-diethoxyethane	132.13
benzonitrile	298.95
trioctyl phosphate	75.76
1-bromopropane	193.58
gamma-valerolactone	495.58
n-decanol	81.18
triethyl phosphate	84.9
4-methyl-2-pentanol	61.24
propionitrile	155.06
vinylene carbonate	320.93
1,1,2-trichlorotrifluoroethane	369.25
DMS	132.67
cumene	74.94
2-octanol	85.75
2-hexanone	151.33
octyl acetate	109.7
limonene	123.85
1,2-dimethoxyethane	272.81
ethyl orthosilicate	78.52
tributyl phosphate	79.72
diacetone alcohol	151.62
N,N-dimethylaniline	127.3
acrylonitrile	218.14
aniline	199.21
1,3-propanediol	136.36
bromobenzene	332.77
dibromomethane	500.16
1,1,2,2-tetrachloroethane	654.86
2-methyl-cyclohexyl acetate	152.18
tetrabutyl urea	112.23
diisobutyl methanol	70.16
2-phenylethanol	201.51
styrene	135.97
dioctyl adipate	120.8
dimethyl sulfate	141.3
ethyl butyrate	127.87
methyl lactate	107.21
butyl lactate	122.07
diethyl carbonate	105.91
propanediol butyl ether	167.5
triethyl orthoformate	100.06
p-tert-butyltoluene	90.22
methyl 4-tert-butylbenzoate	170.47
morpholine	338.71
tert-butylamine	106.16
n-dodecanol	68.44
dimethoxymethane	189.74
ethylene carbonate	232.31
cyrene	201.4
2-ethoxyethyl acetate	154.56
2-ethylhexyl acetate	140.71
1,2,4-trichlorobenzene	344.78
4-methylpyridine	372.17
dibutyl ether	87.17
2,6-dimethyl-4-heptanol	70.16
DEF	175.06
dimethyl isosorbide	265.97
tetrachloroethylene	412.72
eugenol	178.71
triacetin	170.02
span 80	164.61
1,4-butanediol	87.51
1,1-dichloroethane	407.06
2-methyl-1-pentanol	118.58
methyl formate	173.1
2-methyl-1-butanol	127.89
n-decane	23.59
butyronitrile	183.89
3,7-dimethyl-1-octanol	101.37
1-chlorooctane	87.19
1-chlorotetradecane	45.52
n-nonane	21.5
undecane	19.57
tert-butylcyclohexane	25.82
cyclooctane	16.62
cyclopentanol	229.55
tetrahydropyran	299.06
tert-amyl methyl ether	101.19
2,5,8-trioxanonane	232.52
1-hexene	53.39
2-isopropoxyethanol	128.1
2,2,2-trifluoroethanol	85.5
methyl butyrate	150.95

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