2-Methyl-4-(2-methylpropyl)-1,3-thiazole
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Identifiers
Molecular formula
C8H13NSSMILES
CC1=NC(=CS1)CC(C)C
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Odor profile
Fragrance Green 92.86% Vegetable 70.07% Fruity 60.86% Tropical 52.88% Nutty 49.98% Earthy 45.72% Leafy 40.5% Tomato 38.49% Meaty 36.72% Roasted 35.88% Flavor Green 70.07% Earthy 48.54% Roasted 44.8% Vegetable 41.78% Burnt 33.82% Pepper 33.82% Earth 33.02% Nutty 28.39% Pea 28.18% Tomato 27.97% Odor impact est.
High -
Properties
XLogP3-AA
3.0pKa est.
6.4 (neutral)Molecular weight
155.26 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
Moderately fastBoiling point est.
201°CFlash point
- 68.8 ˚C est.
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Synonyms
- SCHEMBL8250998
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Applications
2-Methyl-4-(2-methylpropyl)-1,3-thiazole is mainly used as a synthetic building block in organic synthesis and is commonly evaluated for fragrance chemistry as an odorant or fragrance intermediate; it may also serve as a specialized odor component in cosmetics/personal care formulations and in household products; in polymers and plastics it can act as a reactive intermediate or precursor for specialty monomers; and it is employed as a synthetic intermediate in pharmaceutical or agrochemical research contexts, with use limited by regulatory requirements and formulation constraints.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 111.02 methanol 97.2 isopropanol 121.48 water 0.57 ethyl acetate 166.3 n-propanol 121.84 acetone 253.41 n-butanol 135.37 acetonitrile 131.35 DMF 296.23 toluene 235.57 isobutanol 128.57 1,4-dioxane 399.94 methyl acetate 166.97 THF 668.99 2-butanone 199.8 n-pentanol 122.74 sec-butanol 135.79 n-hexane 73.27 ethylene glycol 33.19 NMP 407.79 cyclohexane 176.22 DMSO 249.77 n-butyl acetate 240.34 n-octanol 179.56 chloroform 681.78 n-propyl acetate 130.2 acetic acid 144.56 dichloromethane 447.97 cyclohexanone 458.87 propylene glycol 79.05 isopropyl acetate 127.68 DMAc 270.19 2-ethoxyethanol 106.06 isopentanol 133.43 n-heptane 109.07 ethyl formate 109.47 1,2-dichloroethane 239.53 n-hexanol 293.99 2-methoxyethanol 151.43 isobutyl acetate 125.42 tetrachloromethane 149.18 n-pentyl acetate 155.15 transcutol 373.57 n-heptanol 136.52 ethylbenzene 124.68 MIBK 144.29 2-propoxyethanol 275.63 tert-butanol 181.76 MTBE 178.13 2-butoxyethanol 152.23 propionic acid 132.64 o-xylene 157.63 formic acid 23.49 diethyl ether 151.09 m-xylene 158.49 p-xylene 182.29 chlorobenzene 264.61 dimethyl carbonate 85.94 n-octane 42.34 formamide 30.8 cyclopentanone 503.85 2-pentanone 186.27 anisole 185.8 cyclopentyl methyl ether 332.48 gamma-butyrolactone 411.38 1-methoxy-2-propanol 174.19 pyridine 331.86 3-pentanone 161.19 furfural 358.68 n-dodecane 44.06 diethylene glycol 159.24 diisopropyl ether 83.61 tert-amyl alcohol 152.84 acetylacetone 213.97 n-hexadecane 50.52 acetophenone 188.91 methyl propionate 151.23 isopentyl acetate 223.53 trichloroethylene 493.38 n-nonanol 156.76 cyclohexanol 249.12 benzyl alcohol 159.87 2-ethylhexanol 200.58 isooctanol 115.6 dipropyl ether 199.08 1,2-dichlorobenzene 226.63 ethyl lactate 94.49 propylene carbonate 300.65 n-methylformamide 88.78 2-pentanol 115.32 n-pentane 64.59 1-propoxy-2-propanol 238.65 1-methoxy-2-propyl acetate 228.62 2-(2-methoxypropoxy) propanol 199.52 mesitylene 112.89 ε-caprolactone 335.93 p-cymene 127.01 epichlorohydrin 349.96 1,1,1-trichloroethane 345.21 2-aminoethanol 66.15 morpholine-4-carbaldehyde 350.69 sulfolane 513.82 2,2,4-trimethylpentane 40.91 2-methyltetrahydrofuran 440.47 n-hexyl acetate 261.83 isooctane 29.82 2-(2-butoxyethoxy)ethanol 235.11 sec-butyl acetate 105.28 tert-butyl acetate 157.16 decalin 72.09 glycerin 93.25 diglyme 322.16 acrylic acid 119.09 isopropyl myristate 137.86 n-butyric acid 180.59 acetyl acetate 135.98 di(2-ethylhexyl) phthalate 143.57 ethyl propionate 114.56 nitromethane 169.53 1,2-diethoxyethane 180.87 benzonitrile 234.57 trioctyl phosphate 106.66 1-bromopropane 200.53 gamma-valerolactone 429.95 n-decanol 131.41 triethyl phosphate 103.9 4-methyl-2-pentanol 88.73 propionitrile 130.77 vinylene carbonate 251.59 1,1,2-trichlorotrifluoroethane 268.82 DMS 183.34 cumene 97.52 2-octanol 119.34 2-hexanone 176.84 octyl acetate 172.41 limonene 201.07 1,2-dimethoxyethane 226.93 ethyl orthosilicate 101.88 tributyl phosphate 120.65 diacetone alcohol 181.18 N,N-dimethylaniline 151.03 acrylonitrile 136.31 aniline 196.75 1,3-propanediol 92.63 bromobenzene 307.22 dibromomethane 348.91 1,1,2,2-tetrachloroethane 448.96 2-methyl-cyclohexyl acetate 205.2 tetrabutyl urea 158.02 diisobutyl methanol 111.57 2-phenylethanol 210.66 styrene 146.97 dioctyl adipate 172.97 dimethyl sulfate 131.95 ethyl butyrate 155.64 methyl lactate 103.33 butyl lactate 143.84 diethyl carbonate 119.87 propanediol butyl ether 197.4 triethyl orthoformate 138.0 p-tert-butyltoluene 128.09 methyl 4-tert-butylbenzoate 196.01 morpholine 372.37 tert-butylamine 143.15 n-dodecanol 114.18 dimethoxymethane 180.7 ethylene carbonate 210.54 cyrene 213.18 2-ethoxyethyl acetate 173.82 2-ethylhexyl acetate 202.96 1,2,4-trichlorobenzene 285.7 4-methylpyridine 346.09 dibutyl ether 184.7 2,6-dimethyl-4-heptanol 111.57 DEF 180.08 dimethyl isosorbide 341.96 tetrachloroethylene 278.73 eugenol 186.31 triacetin 220.81 span 80 252.26 1,4-butanediol 61.22 1,1-dichloroethane 279.3 2-methyl-1-pentanol 127.88 methyl formate 85.33 2-methyl-1-butanol 132.52 n-decane 65.74 butyronitrile 160.5 3,7-dimethyl-1-octanol 165.75 1-chlorooctane 152.72 1-chlorotetradecane 83.62 n-nonane 66.92 undecane 51.67 tert-butylcyclohexane 61.86 cyclooctane 70.51 cyclopentanol 270.24 tetrahydropyran 436.23 tert-amyl methyl ether 151.73 2,5,8-trioxanonane 282.88 1-hexene 142.48 2-isopropoxyethanol 108.34 2,2,2-trifluoroethanol 61.69 methyl butyrate 148.37 Scent© AI
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
|
Category 1
Products applied to the lips
|
No restriction |
Category 7A
Rinse-off products applied to the hair with some hand contact
|
No restriction |
|
Category 2
Products applied to the axillae
|
No restriction |
Category 7B
Leave-on products applied to the hair with some hand contact
|
No restriction |
|
Category 3
Products applied to the face/body using fingertips
|
No restriction |
Category 8
Products with significant anogenital exposure
|
No restriction |
|
Category 4
Products related to fine fragrance
|
No restriction |
Category 9
Products with body and hand exposure, primarily rinse off
|
No restriction |
|
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
|
No restriction |
Category 10A
Household care products with mostly hand contact
|
No restriction |
|
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
|
No restriction |
Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
|
No restriction |
|
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
|
No restriction |
Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
|
No restriction |
|
Category 5D
Baby Creams, baby Oils and baby talc
|
No restriction |
Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
|
No restriction |
|
Category 6
Products with oral and lip exposure
|
No restriction |
Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
|
No restriction |