4,5-Diethyl-2-methyl-1,3-thiazole
-
Identifiers
Molecular formula
C8H13NSSMILES
CCC1=C(SC(=N1)C)CC
-
Odor profile
Fragrance Green 82.67% Nutty 74.79% Roasted 64.84% Vegetable 59.04% Earthy 58.18% Meaty 55.26% Cocoa 45.43% Burnt 41.0% Musty 39.64% Potato 39.02% Flavor Green 70.57% Nutty 67.12% Earthy 55.1% Vegetable 50.39% Roasted 50.02% Meaty 44.15% Potato 38.68% Hazelnut 36.06% Raw 35.57% Burnt 32.25% Odor impact est.
High -
Properties
XLogP3-AA
3.0pKa est.
7.39 (neutral)Molecular weight
155.26 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
FastBoiling point est.
192°CFlash point
- 60.97 ˚C est.
-
Synonyms
- SCHEMBL12827565
-
Applications
4,5-Diethyl-2-methyl-1,3-thiazole is primarily regarded as an intermediate and building block for the synthesis of heterocyclic compounds, used in pharmaceutical and agrochemical manufacturing; it may act as an odorant component in perfumery and fragrance applications; it also serves as a potential building block for dyes, pigments, and inks, as well as for polymer and specialty material formulations; in research and development, it is often evaluated as a versatile unit for organic electronics and organic semiconductors.
gpt-5-nano
-
Solubility @25˚C
Solvent Solubility (g/L) ethanol 463.33 methanol 650.02 isopropanol 375.33 water 2.51 ethyl acetate 763.46 n-propanol 456.98 acetone 1055.13 n-butanol 478.99 acetonitrile 631.86 DMF 1542.9 toluene 784.45 isobutanol 377.27 1,4-dioxane 1562.59 methyl acetate 710.64 THF 2035.95 2-butanone 858.63 n-pentanol 383.16 sec-butanol 411.06 n-hexane 232.15 ethylene glycol 147.74 NMP 1827.9 cyclohexane 339.59 DMSO 1225.13 n-butyl acetate 814.94 n-octanol 396.39 chloroform 2544.93 n-propyl acetate 583.38 acetic acid 427.24 dichloromethane 2381.29 cyclohexanone 1691.09 propylene glycol 175.11 isopropyl acetate 566.03 DMAc 1172.19 2-ethoxyethanol 576.57 isopentanol 441.27 n-heptane 187.12 ethyl formate 511.4 1,2-dichloroethane 1442.64 n-hexanol 590.29 2-methoxyethanol 843.26 isobutyl acetate 490.05 tetrachloromethane 735.51 n-pentyl acetate 683.92 transcutol 1166.91 n-heptanol 359.34 ethylbenzene 446.38 MIBK 595.26 2-propoxyethanol 948.27 tert-butanol 482.12 MTBE 744.4 2-butoxyethanol 568.38 propionic acid 382.65 o-xylene 508.24 formic acid 127.86 diethyl ether 863.58 m-xylene 610.35 p-xylene 604.65 chlorobenzene 1148.78 dimethyl carbonate 455.24 n-octane 111.59 formamide 196.05 cyclopentanone 1865.61 2-pentanone 836.9 anisole 819.91 cyclopentyl methyl ether 1231.48 gamma-butyrolactone 1788.09 1-methoxy-2-propanol 668.54 pyridine 1253.82 3-pentanone 742.46 furfural 1603.6 n-dodecane 87.31 diethylene glycol 582.67 diisopropyl ether 387.15 tert-amyl alcohol 477.84 acetylacetone 1019.27 n-hexadecane 101.84 acetophenone 732.75 methyl propionate 682.33 isopentyl acetate 749.26 trichloroethylene 2528.8 n-nonanol 340.76 cyclohexanol 618.48 benzyl alcohol 538.55 2-ethylhexanol 447.1 isooctanol 315.39 dipropyl ether 611.05 1,2-dichlorobenzene 1078.51 ethyl lactate 288.04 propylene carbonate 963.22 n-methylformamide 565.33 2-pentanol 368.33 n-pentane 178.96 1-propoxy-2-propanol 620.32 1-methoxy-2-propyl acetate 735.74 2-(2-methoxypropoxy) propanol 469.66 mesitylene 472.13 ε-caprolactone 1307.31 p-cymene 351.8 epichlorohydrin 1734.72 1,1,1-trichloroethane 1579.8 2-aminoethanol 230.91 morpholine-4-carbaldehyde 1641.48 sulfolane 2107.96 2,2,4-trimethylpentane 123.8 2-methyltetrahydrofuran 1491.33 n-hexyl acetate 891.62 isooctane 114.41 2-(2-butoxyethoxy)ethanol 586.28 sec-butyl acetate 442.92 tert-butyl acetate 691.73 decalin 222.67 glycerin 276.45 diglyme 1140.59 acrylic acid 381.33 isopropyl myristate 380.35 n-butyric acid 602.43 acetyl acetate 567.82 di(2-ethylhexyl) phthalate 340.23 ethyl propionate 527.38 nitromethane 904.64 1,2-diethoxyethane 745.73 benzonitrile 878.85 trioctyl phosphate 263.41 1-bromopropane 950.37 gamma-valerolactone 1985.65 n-decanol 251.2 triethyl phosphate 331.71 4-methyl-2-pentanol 273.57 propionitrile 633.03 vinylene carbonate 936.5 1,1,2-trichlorotrifluoroethane 959.49 DMS 720.44 cumene 352.85 2-octanol 326.21 2-hexanone 653.13 octyl acetate 446.08 limonene 527.83 1,2-dimethoxyethane 1193.99 ethyl orthosilicate 324.36 tributyl phosphate 320.15 diacetone alcohol 565.02 N,N-dimethylaniline 610.04 acrylonitrile 737.4 aniline 648.39 1,3-propanediol 365.48 bromobenzene 1336.16 dibromomethane 1604.18 1,1,2,2-tetrachloroethane 2003.12 2-methyl-cyclohexyl acetate 565.45 tetrabutyl urea 415.11 diisobutyl methanol 271.75 2-phenylethanol 628.49 styrene 567.56 dioctyl adipate 453.57 dimethyl sulfate 750.29 ethyl butyrate 563.52 methyl lactate 350.48 butyl lactate 417.91 diethyl carbonate 387.93 propanediol butyl ether 427.22 triethyl orthoformate 424.07 p-tert-butyltoluene 366.46 methyl 4-tert-butylbenzoate 643.97 morpholine 1354.96 tert-butylamine 364.93 n-dodecanol 203.45 dimethoxymethane 1113.97 ethylene carbonate 809.31 cyrene 581.99 2-ethoxyethyl acetate 756.94 2-ethylhexyl acetate 709.35 1,2,4-trichlorobenzene 1239.01 4-methylpyridine 1407.14 dibutyl ether 563.97 2,6-dimethyl-4-heptanol 271.75 DEF 957.31 dimethyl isosorbide 983.23 tetrachloroethylene 1452.0 eugenol 609.26 triacetin 639.96 span 80 480.39 1,4-butanediol 199.76 1,1-dichloroethane 1299.89 2-methyl-1-pentanol 399.05 methyl formate 570.87 2-methyl-1-butanol 446.91 n-decane 139.24 butyronitrile 700.11 3,7-dimethyl-1-octanol 372.68 1-chlorooctane 449.61 1-chlorotetradecane 192.97 n-nonane 151.62 undecane 104.94 tert-butylcyclohexane 207.81 cyclooctane 177.73 cyclopentanol 660.12 tetrahydropyran 1375.12 tert-amyl methyl ether 661.03 2,5,8-trioxanonane 761.05 1-hexene 486.58 2-isopropoxyethanol 449.95 2,2,2-trifluoroethanol 226.95 methyl butyrate 672.98 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 |