2-Ethyl-4,5-dimethyl-3-thiazoline

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  • Identifiers

    CAS number
    76788-46-0

    Molecular formula
    C7H13NS

    SMILES
    CCC1N=C(C(S1)C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Nutty 83.97%
    Meaty 77.8%
    Roasted 75.04%
    Vegetable 71.74%
    Cocoa 59.75%
    Chocolate 57.59%
    Sulfurous 55.27%
    Musty 47.13%
    Coffee 43.79%
    Potato 42.51%

     

    Flavor
    Green 59.79%
    Roasted 40.27%
    Nutty 37.61%
    Vegetable 35.74%
    Meaty 32.94%
    Sulfurous 32.68%
    Earthy 30.83%
    Tropical 28.81%
    Potato 26.3%
    Musty 23.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    6.04 (neutral)

    Molecular weight
    143.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    200°C

    Flash point

    • 77.27 ˚C est.

    Solubility expt.

    • Insoluble in water; Miscible in fats
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 76788-46-0
    • 2-ethyl-4,5-dimethyl-2,5-dihydrothiazole
    • 4,5-Dimethyl-2-ethyl-3-thiazoline
    • 2-Ethyl-2,5-dihydro-4,5-dimethylthiazole
    • 2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole
    • 2-Ethyl-4,5-dimethyl-3-thiazoline
    • FEMA No. 3620
    • 2-Ethyl-4,5-dimethyl thiazoline
    • 3-Thiazoline, 4,5-dimethyl-2-ethyl-
    • BRN 0108717
    • EINECS 278-551-3
    • G7XZR26U8K
    • Thiazole, 2,5-dihydro-4,5-dimethyl-2-ethyl-
    • Thiazole, 2-ethyl-2,5-dihydro-4,5-dimethyl-
    • 3-Thiazoline, 2-ethyl-4,5-dimethyl-
    • 4-27-00-00937 (Beilstein Handbook Reference)
    • 2-Ethyl-4,5-dimethyl-3-thiazoline, cis + trans
    • 4,5-DIMETHYL-2-ETHYL-3-THIAZOLINE [FHFI]
    • (+/-)-2-ETHYL-4,5-DIMETHYL-3-THIAZOLINE
    • 2-ETHYL-4,5-DIMETHYL-3-THIAZOLINE, (+/-)-
    • UNII-G7XZR26U8K
    • FEMA 3620
    • SCHEMBL539022
    • DTXSID10868416
    • CHEBI:193657
    • CSACPVARWHDAET-UHFFFAOYSA-N
    • MFCD01680821
    • AKOS015900305
    • AS-76488
    • 2,5-Dihydro-4,5-dimethyl-2-ethyl-Thiazole
    • 2-Ethyl-2,5-dihydro-4,5-dimethyl-Thiazole
    • NS00059599
    • Q27278906
    • 278-551-3

  • Applications

    2-Ethyl-4,5-dimethyl-3-thiazoline is a thiazoline-containing compound that is typically considered as an aroma ingredient. It may be used as an odorant in perfumery and fragrance formulations, with potential for aroma applications in food and beverage systems during evaluative studies, and as a fragrance component in cosmetics and personal care products as well as household cleaners (CAS 76788-46-0). It can also serve as an intermediate in organic synthesis, providing a building block for further heterocyclic compounds and other specialty chemicals for industrial manufacturing. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 669.21
    methanol 918.05
    isopropanol 533.47
    water 5.5
    ethyl acetate 971.52
    n-propanol 606.57
    acetone 1466.17
    n-butanol 591.0
    acetonitrile 1063.74
    DMF 1555.05
    toluene 918.91
    isobutanol 502.22
    1,4-dioxane 1684.08
    methyl acetate 1029.27
    THF 2143.33
    2-butanone 1151.75
    n-pentanol 407.04
    sec-butanol 507.68
    n-hexane 78.78
    ethylene glycol 245.85
    NMP 1714.08
    cyclohexane 185.19
    DMSO 1589.15
    n-butyl acetate 840.9
    n-octanol 389.78
    chloroform 3675.42
    n-propyl acetate 585.39
    acetic acid 783.85
    dichloromethane 2966.45
    cyclohexanone 1928.31
    propylene glycol 320.74
    isopropyl acetate 693.89
    DMAc 1255.08
    2-ethoxyethanol 741.09
    isopentanol 499.74
    n-heptane 95.07
    ethyl formate 719.22
    1,2-dichloroethane 1515.4
    n-hexanol 534.09
    2-methoxyethanol 1209.69
    isobutyl acetate 427.87
    tetrachloromethane 834.16
    n-pentyl acetate 643.82
    transcutol 1988.63
    n-heptanol 368.3
    ethylbenzene 393.91
    MIBK 627.88
    2-propoxyethanol 1027.99
    tert-butanol 590.73
    MTBE 681.64
    2-butoxyethanol 678.4
    propionic acid 645.44
    o-xylene 536.83
    formic acid 296.67
    diethyl ether 648.56
    m-xylene 591.37
    p-xylene 561.86
    chlorobenzene 1445.15
    dimethyl carbonate 424.58
    n-octane 51.29
    formamide 355.09
    cyclopentanone 2110.84
    2-pentanone 964.71
    anisole 871.09
    cyclopentyl methyl ether 996.43
    gamma-butyrolactone 2091.9
    1-methoxy-2-propanol 930.28
    pyridine 1802.87
    3-pentanone 773.61
    furfural 2484.75
    n-dodecane 54.1
    diethylene glycol 738.61
    diisopropyl ether 287.74
    tert-amyl alcohol 521.96
    acetylacetone 1394.4
    n-hexadecane 64.16
    acetophenone 845.85
    methyl propionate 746.5
    isopentyl acetate 765.61
    trichloroethylene 3171.4
    n-nonanol 334.4
    cyclohexanol 653.12
    benzyl alcohol 657.7
    2-ethylhexanol 381.12
    isooctanol 299.1
    dipropyl ether 471.91
    1,2-dichlorobenzene 1339.39
    ethyl lactate 332.52
    propylene carbonate 1180.41
    n-methylformamide 830.3
    2-pentanol 410.06
    n-pentane 86.06
    1-propoxy-2-propanol 712.77
    1-methoxy-2-propyl acetate 830.43
    2-(2-methoxypropoxy) propanol 586.28
    mesitylene 392.3
    ε-caprolactone 1452.92
    p-cymene 313.12
    epichlorohydrin 2165.96
    1,1,1-trichloroethane 1984.73
    2-aminoethanol 410.4
    morpholine-4-carbaldehyde 1840.91
    sulfolane 2414.46
    2,2,4-trimethylpentane 77.21
    2-methyltetrahydrofuran 1442.69
    n-hexyl acetate 841.68
    isooctane 63.92
    2-(2-butoxyethoxy)ethanol 769.65
    sec-butyl acetate 447.14
    tert-butyl acetate 766.81
    decalin 122.96
    glycerin 508.35
    diglyme 1540.22
    acrylic acid 640.73
    isopropyl myristate 356.66
    n-butyric acid 879.48
    acetyl acetate 839.75
    di(2-ethylhexyl) phthalate 340.28
    ethyl propionate 498.06
    nitromethane 1562.59
    1,2-diethoxyethane 807.87
    benzonitrile 1299.83
    trioctyl phosphate 236.72
    1-bromopropane 886.24
    gamma-valerolactone 2590.53
    n-decanol 243.01
    triethyl phosphate 311.32
    4-methyl-2-pentanol 287.18
    propionitrile 793.27
    vinylene carbonate 1226.06
    1,1,2-trichlorotrifluoroethane 1418.15
    DMS 700.12
    cumene 290.22
    2-octanol 294.77
    2-hexanone 652.36
    octyl acetate 429.09
    limonene 431.72
    1,2-dimethoxyethane 1174.01
    ethyl orthosilicate 282.16
    tributyl phosphate 290.86
    diacetone alcohol 704.47
    N,N-dimethylaniline 558.45
    acrylonitrile 1066.35
    aniline 927.67
    1,3-propanediol 587.59
    bromobenzene 1683.49
    dibromomethane 1876.88
    1,1,2,2-tetrachloroethane 2366.42
    2-methyl-cyclohexyl acetate 493.13
    tetrabutyl urea 356.22
    diisobutyl methanol 252.07
    2-phenylethanol 712.6
    styrene 564.93
    dioctyl adipate 452.23
    dimethyl sulfate 738.12
    ethyl butyrate 589.38
    methyl lactate 442.48
    butyl lactate 470.1
    diethyl carbonate 416.31
    propanediol butyl ether 634.88
    triethyl orthoformate 423.31
    p-tert-butyltoluene 316.17
    methyl 4-tert-butylbenzoate 703.14
    morpholine 1452.45
    tert-butylamine 395.85
    n-dodecanol 191.32
    dimethoxymethane 1004.25
    ethylene carbonate 953.97
    cyrene 595.08
    2-ethoxyethyl acetate 844.06
    2-ethylhexyl acetate 631.22
    1,2,4-trichlorobenzene 1512.34
    4-methylpyridine 1864.8
    dibutyl ether 478.24
    2,6-dimethyl-4-heptanol 252.07
    DEF 957.52
    dimethyl isosorbide 1029.39
    tetrachloroethylene 1548.84
    eugenol 671.54
    triacetin 805.28
    span 80 571.41
    1,4-butanediol 279.44
    1,1-dichloroethane 1764.07
    2-methyl-1-pentanol 388.89
    methyl formate 758.41
    2-methyl-1-butanol 497.94
    n-decane 83.78
    butyronitrile 855.01
    3,7-dimethyl-1-octanol 384.62
    1-chlorooctane 344.51
    1-chlorotetradecane 156.89
    n-nonane 80.59
    undecane 64.84
    tert-butylcyclohexane 116.16
    cyclooctane 80.94
    cyclopentanol 739.98
    tetrahydropyran 1186.12
    tert-amyl methyl ether 532.92
    2,5,8-trioxanonane 975.39
    1-hexene 268.24
    2-isopropoxyethanol 527.33
    2,2,2-trifluoroethanol 385.1
    methyl butyrate 689.95

    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