2-Propionyl-2-thiazoline

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  • Identifiers

    CAS number
    29926-42-9

    Molecular formula
    C6H9NOS

    SMILES
    CCC(=O)C1=NCCS1

  • Odor profile

    Fragrance
    Nutty 76.36%
    Roasted 73.53%
    Meaty 57.72%
    Popcorn 54.88%
    Green 46.42%
    Cooked 39.73%
    Vegetable 34.88%
    Potato 33.26%
    Hazelnut 28.55%
    Cocoa 28.43%

     

    Flavor
    Nutty 75.54%
    Roasted 70.45%
    Roast 59.5%
    Cooked 52.11%
    Meaty 46.05%
    Popcorn 44.62%
    Chip 40.54%
    Corn 40.47%
    Potato 38.34%
    Toasted 36.12%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    6.14 (neutral)

    Molecular weight
    143.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    268°C

    Flash point

    • 105.9 ˚C est.

    Solubility expt.

    • Soluble in heptane; insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2-propionyl-2-thiazoline
    • 29926-42-9
    • 1-(4,5-dihydrothiazol-2-yl)propan-1-one
    • 1-(4,5-dihydro-1,3-thiazol-2-yl)propan-1-one
    • FEMA No. 4064
    • 2-Propionyl-2-thiazoline [FHFI]
    • UNII-19M98WOF3F
    • 1-Propanone, 1-(4,5-dihydro-2-thiazolyl)-
    • 19M98WOF3F
    • 1-Propanone, 1-(2-thiazolin-2-yl)-
    • 1-(4,5-Dihydro-1,3-thiazol-2-yl)-1-propanone
    • DTXSID20184038
    • 1-(4,5-Dihydro-2-thiazolyl)-1-propanone
    • SCHEMBL7034197
    • DTXCID30106529
    • CHEBI:193654
    • AKOS015842700
    • 2-Propionyl-4,5-dihydro-1,3-thiazole
    • DB-345260
    • NS00123423
    • Q27252115

  • Applications

    2-Propionyl-2-thiazoline (CAS 29926-42-9) is used as an odorant and fragrance intermediate in perfumery and flavor formulations; it may be used in cosmetics and personal care for scent, and can appear in household cleaning products to impart or enhance aroma; in industrial manufacturing it is sometimes used as an odorant additive for coatings and inks; and it may serve as a synthetic building block in fragrance-related chemical syntheses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 562.3
    methanol 1129.22
    isopropanol 362.12
    water 22.01
    ethyl acetate 932.92
    n-propanol 412.44
    acetone 1845.05
    n-butanol 371.22
    acetonitrile 1758.95
    DMF 2690.91
    toluene 593.02
    isobutanol 316.98
    1,4-dioxane 1187.33
    methyl acetate 1005.83
    THF 1463.94
    2-butanone 1013.32
    n-pentanol 319.04
    sec-butanol 302.51
    n-hexane 44.99
    ethylene glycol 373.4
    NMP 2351.69
    cyclohexane 83.17
    DMSO 2788.08
    n-butyl acetate 554.99
    n-octanol 285.07
    chloroform 4008.68
    n-propyl acetate 686.31
    acetic acid 1485.69
    dichloromethane 4262.24
    cyclohexanone 1752.8
    propylene glycol 270.94
    isopropyl acetate 580.01
    DMAc 1501.25
    2-ethoxyethanol 768.07
    isopentanol 330.9
    n-heptane 36.24
    ethyl formate 954.41
    1,2-dichloroethane 2200.09
    n-hexanol 270.67
    2-methoxyethanol 1250.4
    isobutyl acetate 383.4
    tetrachloromethane 576.83
    n-pentyl acetate 560.08
    transcutol 1916.65
    n-heptanol 210.18
    ethylbenzene 286.19
    MIBK 491.97
    2-propoxyethanol 685.03
    tert-butanol 373.63
    MTBE 350.38
    2-butoxyethanol 516.61
    propionic acid 798.9
    o-xylene 371.19
    formic acid 886.39
    diethyl ether 435.46
    m-xylene 402.86
    p-xylene 428.23
    chlorobenzene 1543.24
    dimethyl carbonate 561.14
    n-octane 27.63
    formamide 1235.41
    cyclopentanone 2199.98
    2-pentanone 841.25
    anisole 708.04
    cyclopentyl methyl ether 686.97
    gamma-butyrolactone 2784.96
    1-methoxy-2-propanol 805.31
    pyridine 1991.48
    3-pentanone 680.33
    furfural 3093.3
    n-dodecane 31.55
    diethylene glycol 740.6
    diisopropyl ether 159.85
    tert-amyl alcohol 315.54
    acetylacetone 1424.04
    n-hexadecane 37.42
    acetophenone 908.47
    methyl propionate 807.86
    isopentyl acetate 462.98
    trichloroethylene 5276.83
    n-nonanol 229.44
    cyclohexanol 439.49
    benzyl alcohol 668.4
    2-ethylhexanol 197.35
    isooctanol 188.17
    dipropyl ether 221.41
    1,2-dichlorobenzene 1498.25
    ethyl lactate 370.84
    propylene carbonate 1337.6
    n-methylformamide 1687.66
    2-pentanol 241.58
    n-pentane 45.14
    1-propoxy-2-propanol 413.75
    1-methoxy-2-propyl acetate 582.83
    2-(2-methoxypropoxy) propanol 428.78
    mesitylene 273.03
    ε-caprolactone 1472.63
    p-cymene 192.58
    epichlorohydrin 2408.13
    1,1,1-trichloroethane 1894.55
    2-aminoethanol 446.07
    morpholine-4-carbaldehyde 2276.69
    sulfolane 3250.11
    2,2,4-trimethylpentane 34.89
    2-methyltetrahydrofuran 898.1
    n-hexyl acetate 745.26
    isooctane 30.12
    2-(2-butoxyethoxy)ethanol 588.26
    sec-butyl acetate 381.74
    tert-butyl acetate 563.1
    decalin 64.4
    glycerin 537.97
    diglyme 1383.71
    acrylic acid 1058.04
    isopropyl myristate 231.1
    n-butyric acid 906.25
    acetyl acetate 857.06
    di(2-ethylhexyl) phthalate 248.62
    ethyl propionate 540.73
    nitromethane 3727.07
    1,2-diethoxyethane 582.86
    benzonitrile 1582.24
    trioctyl phosphate 185.37
    1-bromopropane 738.84
    gamma-valerolactone 2807.25
    n-decanol 161.0
    triethyl phosphate 238.3
    4-methyl-2-pentanol 165.14
    propionitrile 973.98
    vinylene carbonate 1614.18
    1,1,2-trichlorotrifluoroethane 1893.62
    DMS 738.16
    cumene 209.12
    2-octanol 193.3
    2-hexanone 566.1
    octyl acetate 305.9
    limonene 243.4
    1,2-dimethoxyethane 1136.19
    ethyl orthosilicate 215.31
    tributyl phosphate 232.22
    diacetone alcohol 575.28
    N,N-dimethylaniline 465.09
    acrylonitrile 1825.1
    aniline 727.26
    1,3-propanediol 555.31
    bromobenzene 1775.13
    dibromomethane 2279.25
    1,1,2,2-tetrachloroethane 3126.47
    2-methyl-cyclohexyl acetate 345.29
    tetrabutyl urea 327.06
    diisobutyl methanol 137.91
    2-phenylethanol 482.88
    styrene 489.32
    dioctyl adipate 350.4
    dimethyl sulfate 1108.7
    ethyl butyrate 416.72
    methyl lactate 515.96
    butyl lactate 417.76
    diethyl carbonate 319.38
    propanediol butyl ether 580.46
    triethyl orthoformate 286.24
    p-tert-butyltoluene 178.73
    methyl 4-tert-butylbenzoate 558.49
    morpholine 1169.57
    tert-butylamine 232.41
    n-dodecanol 121.09
    dimethoxymethane 1072.21
    ethylene carbonate 1202.1
    cyrene 553.01
    2-ethoxyethyl acetate 748.25
    2-ethylhexyl acetate 369.31
    1,2,4-trichlorobenzene 1621.84
    4-methylpyridine 1868.86
    dibutyl ether 297.22
    2,6-dimethyl-4-heptanol 137.91
    DEF 1131.05
    dimethyl isosorbide 782.38
    tetrachloroethylene 2183.58
    eugenol 628.9
    triacetin 691.27
    span 80 398.25
    1,4-butanediol 313.07
    1,1-dichloroethane 1816.3
    2-methyl-1-pentanol 282.25
    methyl formate 1526.9
    2-methyl-1-butanol 305.31
    n-decane 49.47
    butyronitrile 866.61
    3,7-dimethyl-1-octanol 215.05
    1-chlorooctane 240.07
    1-chlorotetradecane 95.02
    n-nonane 47.21
    undecane 38.36
    tert-butylcyclohexane 58.55
    cyclooctane 34.31
    cyclopentanol 522.3
    tetrahydropyran 786.27
    tert-amyl methyl ether 291.0
    2,5,8-trioxanonane 791.5
    1-hexene 181.28
    2-isopropoxyethanol 492.85
    2,2,2-trifluoroethanol 733.49
    methyl butyrate 813.71

    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