Ethanone, 1-(2-thiazolidinyl)-

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  • Identifiers

    CAS number
    67399-73-9

    Molecular formula
    C5H9NOS

    SMILES
    CC(=O)C1NCCS1

  • Odor profile

    Fragrance
    Nutty 68.56%
    Roasted 63.09%
    Meaty 58.38%
    Popcorn 56.92%
    Cooked 37.78%
    Fishy 33.69%
    Potato 29.34%
    Savory 27.59%
    Beefy 27.57%
    Onion 26.47%

     

    Flavor
    Roasted 57.95%
    Nutty 43.17%
    Cooked 38.96%
    Roast 36.47%
    Meaty 33.64%
    Bitter 28.84%
    Chip 26.52%
    Sulfur 26.32%
    Popcorn 25.26%
    Taco 25.08%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    5.41 (weak acid)

    Molecular weight
    131.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    243°C

    Flash point

    • 102.9 ˚C est.

  • Synonyms

    • 2-Acetylthiazolidine
    • 67399-73-9
    • 1-(1,3-thiazolidin-2-yl)ethanone
    • Ethanone, 1-(2-thiazolidinyl)-
    • Ethanone, 1-(2-thiazolidinyl)- (9CI)
    • SCHEMBL1810025
    • DTXSID80867274
    • UCCSPJPIAZEQQQ-UHFFFAOYSA-N
    • AKOS006354815
    • Ethanone,1-(2-thiazolidinyl)-(9ci)
    • 1-(1,3-Thiazolidin-2-yl)ethan-1-one

  • Applications

    Ethanone, 1-(2-thiazolidinyl)-, CAS 67399-73-9 is an organic synthesis intermediate used as a building block for thiazolidin-containing heterocycles. In fragrance chemistry, it may function as an odor-active intermediate or precursor for fragrance ingredients and fixatives. In cosmetics and personal care, it may be used as a fragrance intermediate in scented formulations (subject to regulatory limits). In pharmaceutical and agricultural R&D, it is evaluated as a synthetic building block for complex heterocyclic systems. In industrial manufacturing, it can serve as an intermediate in the production of specialty chemicals and related formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 281.5
    methanol 594.39
    isopropanol 118.11
    water 111.28
    ethyl acetate 108.34
    n-propanol 153.83
    acetone 288.92
    n-butanol 104.3
    acetonitrile 206.59
    DMF 403.54
    toluene 32.65
    isobutanol 89.9
    1,4-dioxane 212.33
    methyl acetate 118.45
    THF 333.01
    2-butanone 130.61
    n-pentanol 78.22
    sec-butanol 78.28
    n-hexane 1.78
    ethylene glycol 227.23
    NMP 436.02
    cyclohexane 4.27
    DMSO 584.96
    n-butyl acetate 91.9
    n-octanol 47.17
    chloroform 327.83
    n-propyl acetate 68.14
    acetic acid 825.18
    dichloromethane 290.12
    cyclohexanone 226.13
    propylene glycol 151.88
    isopropyl acetate 60.33
    DMAc 259.27
    2-ethoxyethanol 212.04
    isopentanol 75.04
    n-heptane 3.97
    ethyl formate 133.32
    1,2-dichloroethane 127.6
    n-hexanol 83.06
    2-methoxyethanol 367.72
    isobutyl acetate 46.96
    tetrachloromethane 36.33
    n-pentyl acetate 64.85
    transcutol 530.66
    n-heptanol 47.69
    ethylbenzene 11.11
    MIBK 59.47
    2-propoxyethanol 214.92
    tert-butanol 104.31
    MTBE 44.27
    2-butoxyethanol 123.23
    propionic acid 227.79
    o-xylene 22.84
    formic acid 821.61
    diethyl ether 44.82
    m-xylene 29.81
    p-xylene 17.79
    chlorobenzene 89.47
    dimethyl carbonate 42.24
    n-octane 1.95
    formamide 533.59
    cyclopentanone 330.02
    2-pentanone 98.07
    anisole 54.84
    cyclopentyl methyl ether 98.69
    gamma-butyrolactone 431.75
    1-methoxy-2-propanol 202.07
    pyridine 198.3
    3-pentanone 63.11
    furfural 467.26
    n-dodecane 2.31
    diethylene glycol 269.3
    diisopropyl ether 14.53
    tert-amyl alcohol 71.24
    acetylacetone 162.5
    n-hexadecane 2.61
    acetophenone 79.46
    methyl propionate 84.83
    isopentyl acetate 68.48
    trichloroethylene 358.26
    n-nonanol 40.08
    cyclohexanol 88.47
    benzyl alcohol 85.2
    2-ethylhexanol 41.18
    isooctanol 37.02
    dipropyl ether 34.13
    1,2-dichlorobenzene 87.23
    ethyl lactate 59.24
    propylene carbonate 192.1
    n-methylformamide 316.21
    2-pentanol 49.2
    n-pentane 2.65
    1-propoxy-2-propanol 128.85
    1-methoxy-2-propyl acetate 109.9
    2-(2-methoxypropoxy) propanol 110.8
    mesitylene 19.23
    ε-caprolactone 190.06
    p-cymene 19.35
    epichlorohydrin 299.78
    1,1,1-trichloroethane 111.34
    2-aminoethanol 246.62
    morpholine-4-carbaldehyde 374.47
    sulfolane 425.19
    2,2,4-trimethylpentane 2.91
    2-methyltetrahydrofuran 171.44
    n-hexyl acetate 76.58
    isooctane 2.48
    2-(2-butoxyethoxy)ethanol 156.82
    sec-butyl acetate 39.39
    tert-butyl acetate 62.48
    decalin 3.34
    glycerin 271.51
    diglyme 259.79
    acrylic acid 297.83
    isopropyl myristate 28.58
    n-butyric acid 222.04
    acetyl acetate 96.61
    di(2-ethylhexyl) phthalate 47.41
    ethyl propionate 43.63
    nitromethane 782.35
    1,2-diethoxyethane 94.16
    benzonitrile 126.54
    trioctyl phosphate 31.84
    1-bromopropane 42.92
    gamma-valerolactone 435.89
    n-decanol 29.13
    triethyl phosphate 34.68
    4-methyl-2-pentanol 33.24
    propionitrile 102.21
    vinylene carbonate 219.85
    1,1,2-trichlorotrifluoroethane 306.7
    DMS 68.35
    cumene 12.17
    2-octanol 29.6
    2-hexanone 65.59
    octyl acetate 40.23
    limonene 27.84
    1,2-dimethoxyethane 175.26
    ethyl orthosilicate 32.65
    tributyl phosphate 38.33
    diacetone alcohol 107.08
    N,N-dimethylaniline 44.04
    acrylonitrile 176.4
    aniline 91.47
    1,3-propanediol 227.13
    bromobenzene 69.52
    dibromomethane 139.26
    1,1,2,2-tetrachloroethane 214.16
    2-methyl-cyclohexyl acetate 55.06
    tetrabutyl urea 53.29
    diisobutyl methanol 25.52
    2-phenylethanol 87.51
    styrene 16.33
    dioctyl adipate 51.52
    dimethyl sulfate 94.77
    ethyl butyrate 55.15
    methyl lactate 89.65
    butyl lactate 69.32
    diethyl carbonate 38.74
    propanediol butyl ether 136.51
    triethyl orthoformate 45.26
    p-tert-butyltoluene 18.49
    methyl 4-tert-butylbenzoate 85.06
    morpholine 230.34
    tert-butylamine 48.39
    n-dodecanol 21.67
    dimethoxymethane 139.91
    ethylene carbonate 153.01
    cyrene 138.94
    2-ethoxyethyl acetate 107.16
    2-ethylhexyl acetate 52.51
    1,2,4-trichlorobenzene 114.14
    4-methylpyridine 155.15
    dibutyl ether 32.7
    2,6-dimethyl-4-heptanol 25.52
    DEF 116.92
    dimethyl isosorbide 171.87
    tetrachloroethylene 156.14
    eugenol 102.08
    triacetin 103.6
    span 80 105.29
    1,4-butanediol 114.83
    1,1-dichloroethane 115.29
    2-methyl-1-pentanol 61.1
    methyl formate 241.72
    2-methyl-1-butanol 71.08
    n-decane 3.53
    butyronitrile 99.27
    3,7-dimethyl-1-octanol 42.15
    1-chlorooctane 19.96
    1-chlorotetradecane 8.16
    n-nonane 3.1
    undecane 2.75
    tert-butylcyclohexane 3.57
    cyclooctane 1.92
    cyclopentanol 135.57
    tetrahydropyran 127.48
    tert-amyl methyl ether 36.06
    2,5,8-trioxanonane 195.43
    1-hexene 9.03
    2-isopropoxyethanol 121.37
    2,2,2-trifluoroethanol 293.18
    methyl butyrate 70.61

    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