2-Hexyl-2-methyl-1,3-thiazolidine

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  • Identifiers

    CAS number
    702-87-4

    Molecular formula
    C10H21NS

    SMILES
    CCCCCCC1(NCCS1)C

    Safety labels

  • Odor profile

    Fragrance
    Meaty 57.06%
    Roasted 51.13%
    Nutty 44.82%
    Fatty 41.93%
    Green 36.93%
    Savory 33.56%
    Sulfurous 32.81%
    Cooked 31.37%
    Vegetable 29.56%
    Tropical 29.49%

     

    Flavor
    Green 41.49%
    Sulfurous 33.46%
    Roasted 28.95%
    Herbal 25.6%
    Tropical 24.72%
    Sulfury 24.22%
    Meaty 23.87%
    Tomato leaf 23.41%
    Pepper 23.16%
    Blackberry 23.08%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    6.36 (neutral)

    Molecular weight
    187.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point

    • 120.46 ˚C est.

  • Synonyms

    • 2-hexyl-2-methyl-1,3-thiazolidine
    • 702-87-4
    • DTXSID80990435
    • RefChem:1063296
    • DTXCID201417537
    • 2-Hexyl-2-methylthiazolidine
    • BRN 1209495
    • Thiazolidine, 2-hexyl-2-methyl-
    • SCHEMBL17351071
    • AKOS017531363
    • 702-87-4

  • Applications

    2-Hexyl-2-methyl-1,3-thiazolidine (CAS 702-87-4) is commonly used as an intermediate in the synthesis of fragrance and flavor compounds, and can function as an odorant or fixative in perfumery. It may be used as a fragrance ingredient in cosmetics and personal care formulations, and could appear in household products as a fragrance additive, subject to regulatory and formulation limits. In industrial manufacturing, it serves as a building block for specialty chemicals and related thiazolidine-derived intermediates, with potential applications in coatings and inks where odor components are relevant, all under applicable local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1961.42
    methanol 1589.13
    isopropanol 1678.1
    water 1.13
    ethyl acetate 3154.52
    n-propanol 2007.51
    acetone 4224.73
    n-butanol 2065.75
    acetonitrile 1439.29
    DMF 2552.81
    toluene 1194.09
    isobutanol 1618.01
    1,4-dioxane 3739.6
    methyl acetate 2176.64
    THF 5809.23
    2-butanone 2996.63
    n-pentanol 1134.2
    sec-butanol 1424.75
    n-hexane 218.85
    ethylene glycol 359.48
    NMP 2109.0
    cyclohexane 739.92
    DMSO 2872.83
    n-butyl acetate 3152.14
    n-octanol 810.11
    chloroform 3956.45
    n-propyl acetate 1794.04
    acetic acid 1788.75
    dichloromethane 2726.3
    cyclohexanone 4158.47
    propylene glycol 660.38
    isopropyl acetate 2413.63
    DMAc 2133.29
    2-ethoxyethanol 1497.64
    isopentanol 1785.13
    n-heptane 320.53
    ethyl formate 1581.09
    1,2-dichloroethane 1992.64
    n-hexanol 1931.16
    2-methoxyethanol 2386.03
    isobutyl acetate 1266.95
    tetrachloromethane 942.41
    n-pentyl acetate 1347.88
    transcutol 4636.87
    n-heptanol 818.34
    ethylbenzene 356.46
    MIBK 1610.38
    2-propoxyethanol 2750.77
    tert-butanol 2079.16
    MTBE 2848.11
    2-butoxyethanol 1369.74
    propionic acid 1615.36
    o-xylene 593.8
    formic acid 455.53
    diethyl ether 2831.15
    m-xylene 689.65
    p-xylene 531.7
    chlorobenzene 1487.2
    dimethyl carbonate 798.56
    n-octane 104.96
    formamide 545.39
    cyclopentanone 4080.38
    2-pentanone 2865.86
    anisole 828.47
    cyclopentyl methyl ether 2862.57
    gamma-butyrolactone 3682.39
    1-methoxy-2-propanol 1990.91
    pyridine 2510.11
    3-pentanone 2110.56
    furfural 2510.8
    n-dodecane 76.62
    diethylene glycol 1390.11
    diisopropyl ether 1021.64
    tert-amyl alcohol 1566.39
    acetylacetone 2819.56
    n-hexadecane 93.28
    acetophenone 785.01
    methyl propionate 1979.74
    isopentyl acetate 2460.4
    trichloroethylene 3526.15
    n-nonanol 690.44
    cyclohexanol 1952.23
    benzyl alcohol 681.17
    2-ethylhexanol 1218.13
    isooctanol 632.97
    dipropyl ether 2023.39
    1,2-dichlorobenzene 1163.91
    ethyl lactate 616.54
    propylene carbonate 2268.54
    n-methylformamide 1364.75
    2-pentanol 1391.71
    n-pentane 292.73
    1-propoxy-2-propanol 2269.62
    1-methoxy-2-propyl acetate 2284.41
    2-(2-methoxypropoxy) propanol 883.2
    mesitylene 460.05
    ε-caprolactone 3094.9
    p-cymene 413.08
    epichlorohydrin 3105.1
    1,1,1-trichloroethane 2598.54
    2-aminoethanol 779.98
    morpholine-4-carbaldehyde 2545.36
    sulfolane 2984.07
    2,2,4-trimethylpentane 174.69
    2-methyltetrahydrofuran 3851.6
    n-hexyl acetate 1492.61
    isooctane 141.96
    2-(2-butoxyethoxy)ethanol 1370.42
    sec-butyl acetate 1265.49
    tert-butyl acetate 2358.26
    decalin 197.79
    glycerin 826.65
    diglyme 2868.3
    acrylic acid 1072.22
    isopropyl myristate 562.34
    n-butyric acid 2889.72
    acetyl acetate 1947.92
    di(2-ethylhexyl) phthalate 405.89
    ethyl propionate 1262.68
    nitromethane 2711.63
    1,2-diethoxyethane 2490.71
    benzonitrile 1069.2
    trioctyl phosphate 364.96
    1-bromopropane 1501.87
    gamma-valerolactone 4375.91
    n-decanol 492.32
    triethyl phosphate 599.26
    4-methyl-2-pentanol 855.94
    propionitrile 1603.49
    vinylene carbonate 1784.0
    1,1,2-trichlorotrifluoroethane 2308.71
    DMS 930.58
    cumene 262.8
    2-octanol 515.01
    2-hexanone 1579.15
    octyl acetate 679.75
    limonene 857.89
    1,2-dimethoxyethane 2523.31
    ethyl orthosilicate 658.24
    tributyl phosphate 484.4
    diacetone alcohol 1630.39
    N,N-dimethylaniline 494.21
    acrylonitrile 1419.1
    aniline 1424.66
    1,3-propanediol 1326.52
    bromobenzene 1585.93
    dibromomethane 1945.09
    1,1,2,2-tetrachloroethane 3094.38
    2-methyl-cyclohexyl acetate 1034.89
    tetrabutyl urea 538.49
    diisobutyl methanol 635.63
    2-phenylethanol 933.05
    styrene 489.8
    dioctyl adipate 640.79
    dimethyl sulfate 1076.06
    ethyl butyrate 1859.48
    methyl lactate 801.49
    butyl lactate 917.39
    diethyl carbonate 1001.13
    propanediol butyl ether 1116.25
    triethyl orthoformate 1351.75
    p-tert-butyltoluene 443.84
    methyl 4-tert-butylbenzoate 738.89
    morpholine 3744.6
    tert-butylamine 1397.69
    n-dodecanol 366.89
    dimethoxymethane 2323.72
    ethylene carbonate 1975.47
    cyrene 714.66
    2-ethoxyethyl acetate 1599.31
    2-ethylhexyl acetate 1898.27
    1,2,4-trichlorobenzene 1349.93
    4-methylpyridine 2287.01
    dibutyl ether 1386.16
    2,6-dimethyl-4-heptanol 635.63
    DEF 2283.54
    dimethyl isosorbide 1454.17
    tetrachloroethylene 2150.15
    eugenol 603.28
    triacetin 1197.91
    span 80 884.64
    1,4-butanediol 509.02
    1,1-dichloroethane 2330.49
    2-methyl-1-pentanol 899.01
    methyl formate 1091.03
    2-methyl-1-butanol 1496.81
    n-decane 157.53
    butyronitrile 2041.18
    3,7-dimethyl-1-octanol 819.41
    1-chlorooctane 587.54
    1-chlorotetradecane 203.17
    n-nonane 157.2
    undecane 105.29
    tert-butylcyclohexane 173.23
    cyclooctane 232.38
    cyclopentanol 1862.2
    tetrahydropyran 4611.51
    tert-amyl methyl ether 1679.19
    2,5,8-trioxanonane 1524.81
    1-hexene 699.91
    2-isopropoxyethanol 1149.94
    2,2,2-trifluoroethanol 673.5
    methyl butyrate 1729.06

    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