2,4,5-Trimethylthiazole

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  • Identifiers

    CAS number
    13623-11-5

    Molecular formula
    C6H9NS

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 83.03%
    Roasted 76.78%
    Meaty 69.64%
    Cocoa 61.93%
    Coffee 57.15%
    Earthy 55.87%
    Burnt 53.55%
    Musty 53.5%
    Hazelnut 53.27%
    Vegetable 50.83%

     

    Flavor
    Nutty 79.84%
    Roasted 69.19%
    Cocoa 63.98%
    Coffee 57.49%
    Musty 51.39%
    Roast 49.39%
    Burnt 49.39%
    Hazelnut 49.0%
    Vegetable 47.1%
    Chocolate 43.24%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.4 (neutral)

    Molecular weight
    127.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 166.00 to 167.00 °C. @ 717.50 mm Hg

    Flash point

    • 42.39 ˚C est.

    Solubility expt.

    • slightly
    • Soluble in organic solvents
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 2,4,5-Trimethylthiazole
    • 13623-11-5
    • trimethyl thiazole
    • Trimethylthiazole
    • 2,4,5-Trimethyl-1,3-thiazole
    • Thiazole, trimethyl-
    • trimethyl-1,3-thiazole
    • Thiazole, 2,4,5-trimethyl-
    • FEMA No. 3325
    • 2,4,5-trimethyl thiazole
    • MFCD00005332
    • UNII-6393273PE0
    • EINECS 237-107-9
    • NSC 170614
    • NSC-170614
    • 6393273PE0
    • DTXSID5065564
    • CHEBI:78738
    • THIAZOLE, 2,4,5-TRIMETHYL
    • 2,4,5-TRIMETHYL THIAZOLE [FHFI]
    • trimethyl-thiazole
    • Trioctyltrimellitate
    • 2,5-Trimethylthiazole
    • A1AFC
    • 2,4,5-trimethylthiazol
    • Thiazole,4,5-trimethyl-
    • 2,4,5-Trimethyl-Thiazole
    • SCHEMBL77218
    • DTXCID4034362
    • FEMA 3325
    • 2,4,5-Trimethylthiazole, 98%
    • 2,4,5-Trimethyl-1,3-thiazole #
    • NSC170614
    • Thiazole, 2,4,5-trimethyl-(8CI)
    • AKOS015842579
    • HY-W100945
    • 2,4,5-Trimethylthiazole, >=98%, FG
    • BS-42217
    • SY048881
    • DB-003801
    • Thiazole, 2,4,5-trimethyl-(8CI)(9CI)
    • CS-0153587
    • NS00021619
    • T1068
    • Thiazole, 2,4,5-trimethyl- (8CI)(9CI)
    • D92445
    • EN300-722349
    • A807044
    • Q27147934
    • 237-107-9

  • Applications

    2,4,5-Trimethylthiazole is primarily used as an odorant in fragrance and flavor applications, contributing distinctive notes to perfumes and aroma formulations; it also serves as a building block or intermediate in organic synthesis for pharmaceutical, agrochemical, and other specialty chemicals; in cosmetics and personal care, it may be used as a fragrance component; in household and cleaning product formulations, it can function as a scent additive; in industrial manufacturing and materials science, it is used as a precursor for thiazole-containing compounds employed in polymers, plastics, coatings and inks; and in research contexts it is often used as a starting point for developing new heterocyclic compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 590.88
    methanol 777.54
    isopropanol 443.77
    water 40.21
    ethyl acetate 458.49
    n-propanol 516.2
    acetone 476.67
    n-butanol 504.87
    acetonitrile 400.13
    DMF 677.38
    toluene 441.59
    isobutanol 387.57
    1,4-dioxane 810.67
    methyl acetate 451.62
    THF 1030.88
    2-butanone 482.27
    n-pentanol 346.29
    sec-butanol 461.79
    n-hexane 127.22
    ethylene glycol 187.76
    NMP 796.86
    cyclohexane 166.05
    DMSO 450.12
    n-butyl acetate 246.95
    n-octanol 199.21
    chloroform 1330.69
    n-propyl acetate 216.87
    acetic acid 394.14
    dichloromethane 1071.03
    cyclohexanone 588.61
    propylene glycol 218.62
    isopropyl acetate 282.55
    DMAc 662.96
    2-ethoxyethanol 521.53
    isopentanol 388.73
    n-heptane 99.98
    ethyl formate 304.04
    1,2-dichloroethane 546.44
    n-hexanol 363.56
    2-methoxyethanol 841.66
    isobutyl acetate 163.28
    tetrachloromethane 414.75
    n-pentyl acetate 212.46
    transcutol 677.25
    n-heptanol 215.44
    ethylbenzene 192.66
    MIBK 264.09
    2-propoxyethanol 595.47
    tert-butanol 434.48
    MTBE 468.73
    2-butoxyethanol 343.53
    propionic acid 323.83
    o-xylene 272.86
    formic acid 277.03
    diethyl ether 633.45
    m-xylene 293.89
    p-xylene 238.37
    chlorobenzene 447.59
    dimethyl carbonate 199.09
    n-octane 48.13
    formamide 392.12
    cyclopentanone 646.58
    2-pentanone 428.92
    anisole 396.04
    cyclopentyl methyl ether 612.84
    gamma-butyrolactone 622.59
    1-methoxy-2-propanol 592.6
    pyridine 592.7
    3-pentanone 364.55
    furfural 627.9
    n-dodecane 33.8
    diethylene glycol 417.06
    diisopropyl ether 202.9
    tert-amyl alcohol 457.25
    acetylacetone 386.96
    n-hexadecane 37.66
    acetophenone 284.68
    methyl propionate 382.96
    isopentyl acetate 241.56
    trichloroethylene 911.42
    n-nonanol 184.02
    cyclohexanol 449.48
    benzyl alcohol 290.96
    2-ethylhexanol 215.99
    isooctanol 168.57
    dipropyl ether 276.76
    1,2-dichlorobenzene 397.17
    ethyl lactate 126.06
    propylene carbonate 328.0
    n-methylformamide 434.38
    2-pentanol 367.2
    n-pentane 145.91
    1-propoxy-2-propanol 367.83
    1-methoxy-2-propyl acetate 294.53
    2-(2-methoxypropoxy) propanol 253.59
    mesitylene 179.17
    ε-caprolactone 493.48
    p-cymene 133.25
    epichlorohydrin 783.69
    1,1,1-trichloroethane 700.83
    2-aminoethanol 342.11
    morpholine-4-carbaldehyde 746.48
    sulfolane 593.81
    2,2,4-trimethylpentane 75.17
    2-methyltetrahydrofuran 857.49
    n-hexyl acetate 273.61
    isooctane 47.53
    2-(2-butoxyethoxy)ethanol 344.47
    sec-butyl acetate 180.35
    tert-butyl acetate 298.21
    decalin 86.79
    glycerin 297.1
    diglyme 576.96
    acrylic acid 284.89
    isopropyl myristate 131.36
    n-butyric acid 392.31
    acetyl acetate 272.41
    di(2-ethylhexyl) phthalate 127.84
    ethyl propionate 222.49
    nitromethane 604.53
    1,2-diethoxyethane 345.52
    benzonitrile 321.25
    trioctyl phosphate 93.0
    1-bromopropane 488.39
    gamma-valerolactone 787.33
    n-decanol 135.26
    triethyl phosphate 126.49
    4-methyl-2-pentanol 194.51
    propionitrile 369.48
    vinylene carbonate 334.02
    1,1,2-trichlorotrifluoroethane 536.65
    DMS 212.17
    cumene 142.85
    2-octanol 158.09
    2-hexanone 269.13
    octyl acetate 168.12
    limonene 193.66
    1,2-dimethoxyethane 631.39
    ethyl orthosilicate 134.21
    tributyl phosphate 107.12
    diacetone alcohol 308.72
    N,N-dimethylaniline 283.39
    acrylonitrile 366.91
    aniline 441.08
    1,3-propanediol 421.6
    bromobenzene 446.03
    dibromomethane 774.5
    1,1,2,2-tetrachloroethane 763.13
    2-methyl-cyclohexyl acetate 201.76
    tetrabutyl urea 137.19
    diisobutyl methanol 124.73
    2-phenylethanol 301.08
    styrene 242.14
    dioctyl adipate 157.75
    dimethyl sulfate 272.97
    ethyl butyrate 208.04
    methyl lactate 206.88
    butyl lactate 151.63
    diethyl carbonate 145.87
    propanediol butyl ether 229.42
    triethyl orthoformate 176.71
    p-tert-butyltoluene 136.23
    methyl 4-tert-butylbenzoate 265.38
    morpholine 847.1
    tert-butylamine 342.03
    n-dodecanol 105.22
    dimethoxymethane 615.4
    ethylene carbonate 283.72
    cyrene 283.2
    2-ethoxyethyl acetate 282.59
    2-ethylhexyl acetate 214.39
    1,2,4-trichlorobenzene 446.12
    4-methylpyridine 650.9
    dibutyl ether 214.49
    2,6-dimethyl-4-heptanol 124.73
    DEF 463.39
    dimethyl isosorbide 404.18
    tetrachloroethylene 583.03
    eugenol 254.52
    triacetin 231.82
    span 80 221.12
    1,4-butanediol 201.9
    1,1-dichloroethane 669.38
    2-methyl-1-pentanol 314.59
    methyl formate 315.9
    2-methyl-1-butanol 417.68
    n-decane 55.87
    butyronitrile 397.14
    3,7-dimethyl-1-octanol 189.93
    1-chlorooctane 161.45
    1-chlorotetradecane 74.22
    n-nonane 57.26
    undecane 41.46
    tert-butylcyclohexane 81.85
    cyclooctane 77.19
    cyclopentanol 465.94
    tetrahydropyran 725.14
    tert-amyl methyl ether 427.43
    2,5,8-trioxanonane 406.9
    1-hexene 244.49
    2-isopropoxyethanol 348.55
    2,2,2-trifluoroethanol 254.15
    methyl butyrate 259.7

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
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