2-Butyl-2-methyl-1,3-thiazolidine

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  • Identifiers

    CAS number
    697-42-7

    Molecular formula
    C8H17NS

    SMILES
    CCCCC1(NCCS1)C

    Safety labels

  • Odor profile

    Fragrance
    Meaty 60.14%
    Roasted 57.49%
    Nutty 53.2%
    Green 41.89%
    Cooked 33.92%
    Sulfurous 33.9%
    Vegetable 33.76%
    Fatty 33.27%
    Savory 33.1%
    Earthy 27.88%

     

    Flavor
    Green 52.34%
    Sulfurous 43.98%
    Roasted 35.65%
    Tropical 33.89%
    Sulfury 28.43%
    Meaty 28.29%
    Vegetable 28.27%
    Earthy 26.1%
    Herbal 25.5%
    Metallic 25.09%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    5.62 (weak acid)

    Molecular weight
    159.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    222°C

    Flash point

    • 91.44 ˚C est.

  • Synonyms

    • 2-butyl-2-methyl-1,3-thiazolidine
    • 697-42-7
    • DTXSID10989857
    • RefChem:1062675
    • DTXCID601416967
    • 2-Butyl-2-methylthiazolidine
    • BRN 1209397
    • Thiazolidine, 2-butyl-2-methyl-
    • SCHEMBL9078363
    • FRQZYPALTIYXIY-UHFFFAOYSA-N
    • 697-42-7

  • Applications

    Chemical name: 2-Butyl-2-methyl-1,3-thiazolidine; CAS number: 697-42-7 is used as a synthetic building block in organic synthesis, serving as a starting point to access heterocyclic compounds for pharmaceutical and related research. In fragrance and flavor applications, it may function as an odorant or fragrance raw material contributing to scent profiles in perfumery and cosmetics. It can also be a precursor for specialty chemicals used in coatings and inks, and as a building block in polymer and plastics chemistry for advanced materials. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 395.87
    methanol 341.14
    isopropanol 391.41
    water 2.31
    ethyl acetate 430.94
    n-propanol 420.9
    acetone 575.55
    n-butanol 414.23
    acetonitrile 347.78
    DMF 618.21
    toluene 309.96
    isobutanol 364.83
    1,4-dioxane 864.19
    methyl acetate 389.38
    THF 1263.65
    2-butanone 464.96
    n-pentanol 270.0
    sec-butanol 329.52
    n-hexane 32.71
    ethylene glycol 136.07
    NMP 570.9
    cyclohexane 137.53
    DMSO 709.5
    n-butyl acetate 548.24
    n-octanol 301.66
    chloroform 1251.99
    n-propyl acetate 259.41
    acetic acid 381.09
    dichloromethane 834.52
    cyclohexanone 869.72
    propylene glycol 266.57
    isopropyl acetate 303.63
    DMAc 502.26
    2-ethoxyethanol 328.71
    isopentanol 352.67
    n-heptane 101.44
    ethyl formate 319.44
    1,2-dichloroethane 407.57
    n-hexanol 605.36
    2-methoxyethanol 532.25
    isobutyl acetate 222.73
    tetrachloromethane 261.93
    n-pentyl acetate 288.16
    transcutol 766.86
    n-heptanol 298.85
    ethylbenzene 114.44
    MIBK 276.24
    2-propoxyethanol 654.17
    tert-butanol 441.15
    MTBE 352.65
    2-butoxyethanol 367.19
    propionic acid 396.36
    o-xylene 190.54
    formic acid 101.32
    diethyl ether 317.11
    m-xylene 199.87
    p-xylene 170.71
    chlorobenzene 409.94
    dimethyl carbonate 165.29
    n-octane 38.57
    formamide 118.11
    cyclopentanone 953.55
    2-pentanone 413.48
    anisole 251.47
    cyclopentyl methyl ether 571.35
    gamma-butyrolactone 861.85
    1-methoxy-2-propanol 491.67
    pyridine 651.98
    3-pentanone 321.18
    furfural 746.16
    n-dodecane 36.86
    diethylene glycol 423.09
    diisopropyl ether 133.16
    tert-amyl alcohol 331.98
    acetylacetone 462.68
    n-hexadecane 42.6
    acetophenone 257.94
    methyl propionate 346.65
    isopentyl acetate 441.6
    trichloroethylene 855.48
    n-nonanol 257.72
    cyclohexanol 469.88
    benzyl alcohol 236.6
    2-ethylhexanol 379.23
    isooctanol 217.1
    dipropyl ether 373.77
    1,2-dichlorobenzene 335.06
    ethyl lactate 165.19
    propylene carbonate 572.81
    n-methylformamide 323.15
    2-pentanol 286.77
    n-pentane 50.06
    1-propoxy-2-propanol 594.27
    1-methoxy-2-propyl acetate 460.09
    2-(2-methoxypropoxy) propanol 289.3
    mesitylene 136.5
    ε-caprolactone 628.1
    p-cymene 158.98
    epichlorohydrin 722.37
    1,1,1-trichloroethane 541.15
    2-aminoethanol 257.2
    morpholine-4-carbaldehyde 682.06
    sulfolane 890.51
    2,2,4-trimethylpentane 39.08
    2-methyltetrahydrofuran 789.16
    n-hexyl acetate 387.88
    isooctane 32.96
    2-(2-butoxyethoxy)ethanol 398.92
    sec-butyl acetate 196.57
    tert-butyl acetate 318.47
    decalin 53.62
    glycerin 310.88
    diglyme 703.48
    acrylic acid 310.32
    isopropyl myristate 170.82
    n-butyric acid 570.91
    acetyl acetate 322.4
    di(2-ethylhexyl) phthalate 165.13
    ethyl propionate 216.03
    nitromethane 556.28
    1,2-diethoxyethane 378.8
    benzonitrile 371.71
    trioctyl phosphate 146.39
    1-bromopropane 322.36
    gamma-valerolactone 983.33
    n-decanol 194.34
    triethyl phosphate 159.94
    4-methyl-2-pentanol 183.68
    propionitrile 381.22
    vinylene carbonate 510.67
    1,1,2-trichlorotrifluoroethane 578.72
    DMS 230.26
    cumene 94.2
    2-octanol 197.0
    2-hexanone 277.22
    octyl acetate 222.16
    limonene 263.82
    1,2-dimethoxyethane 493.21
    ethyl orthosilicate 162.27
    tributyl phosphate 158.87
    diacetone alcohol 331.82
    N,N-dimethylaniline 172.0
    acrylonitrile 393.56
    aniline 376.52
    1,3-propanediol 331.81
    bromobenzene 444.15
    dibromomethane 585.74
    1,1,2,2-tetrachloroethane 769.58
    2-methyl-cyclohexyl acetate 295.71
    tetrabutyl urea 195.78
    diisobutyl methanol 186.12
    2-phenylethanol 320.1
    styrene 153.79
    dioctyl adipate 211.19
    dimethyl sulfate 235.02
    ethyl butyrate 345.54
    methyl lactate 235.91
    butyl lactate 245.64
    diethyl carbonate 221.84
    propanediol butyl ether 372.4
    triethyl orthoformate 284.94
    p-tert-butyltoluene 163.07
    methyl 4-tert-butylbenzoate 265.17
    morpholine 836.25
    tert-butylamine 287.25
    n-dodecanol 150.92
    dimethoxymethane 436.43
    ethylene carbonate 457.99
    cyrene 277.63
    2-ethoxyethyl acetate 320.36
    2-ethylhexyl acetate 374.97
    1,2,4-trichlorobenzene 408.63
    4-methylpyridine 572.96
    dibutyl ether 279.64
    2,6-dimethyl-4-heptanol 186.12
    DEF 383.86
    dimethyl isosorbide 466.43
    tetrachloroethylene 502.39
    eugenol 241.57
    triacetin 339.7
    span 80 327.67
    1,4-butanediol 162.79
    1,1-dichloroethane 529.6
    2-methyl-1-pentanol 214.41
    methyl formate 278.94
    2-methyl-1-butanol 317.75
    n-decane 62.65
    butyronitrile 432.44
    3,7-dimethyl-1-octanol 260.46
    1-chlorooctane 196.52
    1-chlorotetradecane 82.07
    n-nonane 60.69
    undecane 46.42
    tert-butylcyclohexane 46.02
    cyclooctane 52.1
    cyclopentanol 552.64
    tetrahydropyran 873.77
    tert-amyl methyl ether 261.76
    2,5,8-trioxanonane 464.5
    1-hexene 119.24
    2-isopropoxyethanol 264.6
    2,2,2-trifluoroethanol 162.51
    methyl butyrate 275.06

    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