Molecular formula
C5H5NOS

SMILES
CC1=C(SC=N1)C=O

Safety labels

Fragrance
Nutty	77.07%
Roasted	61.29%
Meaty	52.76%
Sulfurous	42.3%
Popcorn	41.91%
Burnt	38.73%
Coffee	37.49%
Beefy	35.16%
Vegetable	33.13%
Cocoa	33.03%

 

Flavor
Nutty	65.48%
Popcorn	45.18%
Sulfur	41.85%
Roast	38.81%
Roasted	38.46%
Cocoa	37.93%
Chocolate	37.49%
Coffee	36.7%
Musty	33.7%
Corn	33.48%

 

Odor impact est.
High

XLogP3-AA
1.1

pKa est.
4.38 (weak acid)

Molecular weight
127.17 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
255°C

Flash point

• 79.34 ˚C est.

• 82294-70-0

4-Methylthiazole-5-carboxaldehyde is commonly used as an intermediate and fragrance/odorant component in fragrance and flavor chemistry, serving as a versatile building block for heterocyclic odorants and contributing to roasted coffee-like notes in perfumery and flavor formulations. In cosmetics and personal care, it may function as a fragrance ingredient or intermediate for scent design. In the pharmaceutical and fine-chemical sectors, it is used as a synthetic intermediate for heterocyclic compounds and related active scaffolds. In industrial manufacturing, it can act as a reactive aldehyde building block for the synthesis of specialty chemicals and polymer-related intermediates, with use governed by local regulations and formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	35.79
methanol	56.17
isopropanol	30.87
water	9.92
ethyl acetate	37.36
n-propanol	32.56
acetone	81.34
n-butanol	28.95
acetonitrile	55.15
DMF	280.02
toluene	14.73
isobutanol	25.84
1,4-dioxane	106.25
methyl acetate	63.08
THF	109.57
2-butanone	72.67
n-pentanol	23.51
sec-butanol	30.57
n-hexane	1.15
ethylene glycol	36.06
NMP	247.04
cyclohexane	2.46
DMSO	216.34
n-butyl acetate	25.06
n-octanol	14.3
chloroform	96.98
n-propyl acetate	25.83
acetic acid	55.05
dichloromethane	79.77
cyclohexanone	94.56
propylene glycol	31.66
isopropyl acetate	23.46
DMAc	239.2
2-ethoxyethanol	66.42
isopentanol	25.62
n-heptane	2.47
ethyl formate	36.43
1,2-dichloroethane	53.81
n-hexanol	22.92
2-methoxyethanol	117.07
isobutyl acetate	18.32
tetrachloromethane	20.26
n-pentyl acetate	22.07
transcutol	156.83
n-heptanol	16.05
ethylbenzene	9.75
MIBK	31.63
2-propoxyethanol	59.64
tert-butanol	42.64
MTBE	21.81
2-butoxyethanol	41.23
propionic acid	47.77
o-xylene	17.71
formic acid	62.81
diethyl ether	22.1
m-xylene	13.82
p-xylene	19.06
chlorobenzene	34.8
dimethyl carbonate	38.39
n-octane	1.2
formamide	130.13
cyclopentanone	128.83
2-pentanone	45.83
anisole	41.81
cyclopentyl methyl ether	45.58
gamma-butyrolactone	129.73
1-methoxy-2-propanol	87.35
pyridine	79.53
3-pentanone	45.42
furfural	151.76
n-dodecane	1.36
diethylene glycol	73.63
diisopropyl ether	8.05
tert-amyl alcohol	37.0
acetylacetone	66.91
n-hexadecane	1.55
acetophenone	52.11
methyl propionate	49.11
isopentyl acetate	25.59
trichloroethylene	129.16
n-nonanol	14.51
cyclohexanol	33.61
benzyl alcohol	37.51
2-ethylhexanol	17.83
isooctanol	14.57
dipropyl ether	16.21
1,2-dichlorobenzene	42.93
ethyl lactate	27.53
propylene carbonate	65.81
n-methylformamide	117.3
2-pentanol	21.5
n-pentane	1.42
1-propoxy-2-propanol	44.22
1-methoxy-2-propyl acetate	43.31
2-(2-methoxypropoxy) propanol	55.0
mesitylene	10.52
ε-caprolactone	70.9
p-cymene	11.04
epichlorohydrin	115.36
1,1,1-trichloroethane	61.98
2-aminoethanol	50.17
morpholine-4-carbaldehyde	194.91
sulfolane	200.48
2,2,4-trimethylpentane	1.78
2-methyltetrahydrofuran	68.42
n-hexyl acetate	29.09
isooctane	1.31
2-(2-butoxyethoxy)ethanol	62.64
sec-butyl acetate	19.01
tert-butyl acetate	31.54
decalin	2.78
glycerin	68.08
diglyme	118.96
acrylic acid	57.94
isopropyl myristate	15.2
n-butyric acid	41.93
acetyl acetate	30.78
di(2-ethylhexyl) phthalate	20.08
ethyl propionate	26.34
nitromethane	169.56
1,2-diethoxyethane	36.91
benzonitrile	42.42
trioctyl phosphate	14.45
1-bromopropane	20.33
gamma-valerolactone	159.32
n-decanol	11.83
triethyl phosphate	22.27
4-methyl-2-pentanol	14.77
propionitrile	39.75
vinylene carbonate	70.2
1,1,2-trichlorotrifluoroethane	138.51
DMS	38.31
cumene	10.31
2-octanol	11.74
2-hexanone	35.2
octyl acetate	20.02
limonene	15.86
1,2-dimethoxyethane	94.39
ethyl orthosilicate	19.93
tributyl phosphate	17.48
diacetone alcohol	59.35
N,N-dimethylaniline	37.44
acrylonitrile	65.07
aniline	37.87
1,3-propanediol	56.51
bromobenzene	28.85
dibromomethane	41.24
1,1,2,2-tetrachloroethane	102.82
2-methyl-cyclohexyl acetate	29.1
tetrabutyl urea	27.18
diisobutyl methanol	12.37
2-phenylethanol	34.66
styrene	12.4
dioctyl adipate	25.06
dimethyl sulfate	94.63
ethyl butyrate	24.69
methyl lactate	49.43
butyl lactate	26.78
diethyl carbonate	21.53
propanediol butyl ether	40.34
triethyl orthoformate	22.78
p-tert-butyltoluene	11.05
methyl 4-tert-butylbenzoate	44.91
morpholine	105.27
tert-butylamine	21.13
n-dodecanol	9.81
dimethoxymethane	90.37
ethylene carbonate	49.63
cyrene	74.18
2-ethoxyethyl acetate	35.4
2-ethylhexyl acetate	21.55
1,2,4-trichlorobenzene	59.19
4-methylpyridine	69.67
dibutyl ether	14.68
2,6-dimethyl-4-heptanol	12.37
DEF	73.91
dimethyl isosorbide	91.19
tetrachloroethylene	74.99
eugenol	50.53
triacetin	41.08
span 80	41.3
1,4-butanediol	28.06
1,1-dichloroethane	49.84
2-methyl-1-pentanol	23.12
methyl formate	83.02
2-methyl-1-butanol	25.67
n-decane	1.86
butyronitrile	29.23
3,7-dimethyl-1-octanol	15.98
1-chlorooctane	8.71
1-chlorotetradecane	4.61
n-nonane	1.56
undecane	1.56
tert-butylcyclohexane	2.53
cyclooctane	1.03
cyclopentanol	47.15
tetrahydropyran	53.7
tert-amyl methyl ether	22.56
2,5,8-trioxanonane	97.2
1-hexene	5.57
2-isopropoxyethanol	44.58
2,2,2-trifluoroethanol	62.12
methyl butyrate	35.64

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