(5S)-5-(prop-2-en-1-yl)-1,3-oxazolidine-2-thione

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  • Identifiers

    CAS number
    15216-29-2

    Molecular formula
    C6H9NOS

    SMILES
    C=CC[C@H]1CNC(=S)O1

    Safety labels

  • Odor profile

    Fragrance
    Roasted 34.73%
    Nutty 29.17%
    Odorless 27.91%
    Green 27.49%
    Pungent 26.7%
    Meaty 26.17%
    Spicy 24.97%
    Cooked 23.31%
    Burnt 23.13%
    Sulfurous 20.96%

     

    Flavor
    Bitter 37.46%
    Roasted 20.79%
    Taco 19.91%
    Shrimp 19.85%
    Nitrile 19.82%
    Basil 19.51%
    Gooseberry 19.41%
    Clam 19.26%
    Cedarleaf 19.14%
    Others 19.11%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    8.98 (weak base)

    Molecular weight
    143.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    344°C

    Flash point

    • 90.45 ˚C est.

  • Synonyms

    • (5S)-5-(2-Propen-1-yl)-2-oxazolidinethione
    • (5S)-5-(prop-2-en-1-yl)-1,3-oxazolidine-2-thione
    • DTXSID001266847
    • AKOS006354376
    • 15216-29-2
    • 15216-29-2

  • Applications

    Chemical name: (5S)-5-(prop-2-en-1-yl)-1,3-oxazolidine-2-thione; CAS number: 15216-29-2. (5S)-5-(prop-2-en-1-yl)-1,3-oxazolidine-2-thione is primarily used as an organic-synthesis intermediate and building block for sulfur-containing heterocycles based on the oxazolidine ring; it is commonly evaluated as a precursor for more complex oxazolidine derivatives and related heterocycles, and may serve as a starting point for pharmaceutical or agrochemical intermediates in research and development; in polymer chemistry it can act as a reactive monomer or comonomer and may function as a crosslinking or latent-curing component for specialty coatings and adhesives; additionally it is used in chemical research as a reagent for developing catalysts or ligands for organometallic processes; overall, applications depend on formulation conditions and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 130.42
    methanol 216.33
    isopropanol 83.92
    water 7.77
    ethyl acetate 76.22
    n-propanol 84.52
    acetone 285.02
    n-butanol 75.79
    acetonitrile 138.49
    DMF 617.07
    toluene 26.84
    isobutanol 57.84
    1,4-dioxane 211.3
    methyl acetate 105.77
    THF 252.94
    2-butanone 140.66
    n-pentanol 67.19
    sec-butanol 59.56
    n-hexane 1.48
    ethylene glycol 102.14
    NMP 306.19
    cyclohexane 3.97
    DMSO 861.98
    n-butyl acetate 55.72
    n-octanol 41.46
    chloroform 179.69
    n-propyl acetate 56.92
    acetic acid 254.72
    dichloromethane 144.67
    cyclohexanone 135.36
    propylene glycol 94.01
    isopropyl acetate 49.12
    DMAc 522.41
    2-ethoxyethanol 174.0
    isopentanol 62.23
    n-heptane 3.31
    ethyl formate 80.82
    1,2-dichloroethane 89.42
    n-hexanol 52.64
    2-methoxyethanol 277.23
    isobutyl acetate 43.5
    tetrachloromethane 20.12
    n-pentyl acetate 42.45
    transcutol 437.66
    n-heptanol 31.52
    ethylbenzene 12.95
    MIBK 56.95
    2-propoxyethanol 142.61
    tert-butanol 89.16
    MTBE 59.1
    2-butoxyethanol 87.52
    propionic acid 97.87
    o-xylene 23.35
    formic acid 165.67
    diethyl ether 58.38
    m-xylene 22.61
    p-xylene 21.82
    chlorobenzene 58.13
    dimethyl carbonate 64.19
    n-octane 1.74
    formamide 185.89
    cyclopentanone 179.89
    2-pentanone 85.76
    anisole 64.13
    cyclopentyl methyl ether 66.66
    gamma-butyrolactone 171.86
    1-methoxy-2-propanol 184.39
    pyridine 131.86
    3-pentanone 72.03
    furfural 227.47
    n-dodecane 2.89
    diethylene glycol 195.94
    diisopropyl ether 16.47
    tert-amyl alcohol 60.96
    acetylacetone 136.43
    n-hexadecane 3.28
    acetophenone 77.62
    methyl propionate 75.6
    isopentyl acetate 49.86
    trichloroethylene 183.34
    n-nonanol 37.25
    cyclohexanol 56.9
    benzyl alcohol 71.23
    2-ethylhexanol 32.9
    isooctanol 26.37
    dipropyl ether 34.58
    1,2-dichlorobenzene 54.13
    ethyl lactate 56.43
    propylene carbonate 99.34
    n-methylformamide 195.13
    2-pentanol 41.25
    n-pentane 2.2
    1-propoxy-2-propanol 91.99
    1-methoxy-2-propyl acetate 85.22
    2-(2-methoxypropoxy) propanol 117.93
    mesitylene 15.81
    ε-caprolactone 99.46
    p-cymene 16.61
    epichlorohydrin 164.44
    1,1,1-trichloroethane 74.16
    2-aminoethanol 112.2
    morpholine-4-carbaldehyde 308.09
    sulfolane 247.13
    2,2,4-trimethylpentane 2.95
    2-methyltetrahydrofuran 108.42
    n-hexyl acetate 59.31
    isooctane 2.25
    2-(2-butoxyethoxy)ethanol 148.84
    sec-butyl acetate 38.41
    tert-butyl acetate 56.83
    decalin 3.49
    glycerin 176.78
    diglyme 242.93
    acrylic acid 119.08
    isopropyl myristate 30.85
    n-butyric acid 99.17
    acetyl acetate 74.47
    di(2-ethylhexyl) phthalate 42.81
    ethyl propionate 45.66
    nitromethane 356.47
    1,2-diethoxyethane 97.42
    benzonitrile 80.62
    trioctyl phosphate 29.23
    1-bromopropane 34.71
    gamma-valerolactone 239.87
    n-decanol 29.89
    triethyl phosphate 34.67
    4-methyl-2-pentanol 31.11
    propionitrile 69.97
    vinylene carbonate 104.97
    1,1,2-trichlorotrifluoroethane 194.53
    DMS 69.04
    cumene 12.83
    2-octanol 22.42
    2-hexanone 67.64
    octyl acetate 39.92
    limonene 23.61
    1,2-dimethoxyethane 235.73
    ethyl orthosilicate 32.64
    tributyl phosphate 35.29
    diacetone alcohol 89.16
    N,N-dimethylaniline 53.99
    acrylonitrile 101.09
    aniline 65.28
    1,3-propanediol 132.58
    bromobenzene 46.54
    dibromomethane 76.72
    1,1,2,2-tetrachloroethane 145.69
    2-methyl-cyclohexyl acetate 47.49
    tetrabutyl urea 53.23
    diisobutyl methanol 22.61
    2-phenylethanol 62.04
    styrene 20.55
    dioctyl adipate 52.57
    dimethyl sulfate 137.15
    ethyl butyrate 45.88
    methyl lactate 88.41
    butyl lactate 51.94
    diethyl carbonate 39.49
    propanediol butyl ether 115.2
    triethyl orthoformate 42.32
    p-tert-butyltoluene 16.61
    methyl 4-tert-butylbenzoate 69.64
    morpholine 191.55
    tert-butylamine 44.28
    n-dodecanol 24.43
    dimethoxymethane 201.83
    ethylene carbonate 78.41
    cyrene 112.83
    2-ethoxyethyl acetate 75.85
    2-ethylhexyl acetate 39.93
    1,2,4-trichlorobenzene 75.62
    4-methylpyridine 110.47
    dibutyl ether 35.45
    2,6-dimethyl-4-heptanol 22.61
    DEF 119.32
    dimethyl isosorbide 145.69
    tetrachloroethylene 88.36
    eugenol 83.89
    triacetin 88.11
    span 80 88.81
    1,4-butanediol 78.7
    1,1-dichloroethane 81.11
    2-methyl-1-pentanol 54.63
    methyl formate 143.89
    2-methyl-1-butanol 53.18
    n-decane 3.79
    butyronitrile 71.34
    3,7-dimethyl-1-octanol 37.7
    1-chlorooctane 19.36
    1-chlorotetradecane 10.69
    n-nonane 3.05
    undecane 3.21
    tert-butylcyclohexane 3.44
    cyclooctane 1.66
    cyclopentanol 70.35
    tetrahydropyran 106.16
    tert-amyl methyl ether 44.47
    2,5,8-trioxanonane 201.22
    1-hexene 8.91
    2-isopropoxyethanol 107.87
    2,2,2-trifluoroethanol 99.63
    methyl butyrate 63.79

    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