Thiazolidine, 2-heptyl-

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  • Identifiers

    CAS number
    706-19-4

    Molecular formula
    C10H21NS

    SMILES
    CCCCCCCC1NCCS1

    Safety labels

  • Odor profile

    Fragrance
    Fatty 50.35%
    Meaty 49.95%
    Green 47.24%
    Roasted 42.2%
    Nutty 36.95%
    Fishy 31.57%
    Vegetable 30.28%
    Savory 29.76%
    Cooked 28.7%
    Oily 28.39%

     

    Flavor
    Fatty 23.07%
    Roasted 22.69%
    Sulfurous 22.1%
    Alkaline 21.8%
    Skunky 21.5%
    Tomato leaf 21.38%
    Slightly waxy 21.36%
    Violet-leaf 21.06%
    Syrup 20.89%
    Greasy 20.81%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    5.03 (weak acid)

    Molecular weight
    187.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    270°C

    Flash point

    • 122.9 ˚C est.

  • Synonyms

    • Thiazolidine, 2-heptyl-
    • 706-19-4
    • RefChem:1099883
    • 2-Heptylthiazolidine
    • 2-heptyl-1,3-thiazolidine
    • BRN 1209496
    • DTXSID20990818
    • FLUFGKPXTPJANY-UHFFFAOYSA-N
    • AKOS011421721
    • 706-19-4

  • Applications

    Thiazolidine, 2-heptyl-, CAS 706-19-4 is used primarily as an odorant/fragrance ingredient in perfumery and personal care products, where its long alkyl chain contributes a distinctive note; it may also serve as an industrial intermediate for synthesis of heterocyclic compounds and related chemicals, and can act as a building block in polymer or plastics formulations; in coatings and inks it may be added as a fragrance component; overall, its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3384.74
    methanol 2503.85
    isopropanol 3021.72
    water 0.18
    ethyl acetate 4320.53
    n-propanol 3223.37
    acetone 8738.46
    n-butanol 3206.14
    acetonitrile 2340.88
    DMF 3932.49
    toluene 1239.04
    isobutanol 2461.2
    1,4-dioxane 5052.17
    methyl acetate 2869.04
    THF 10619.95
    2-butanone 4807.12
    n-pentanol 1910.28
    sec-butanol 2148.86
    n-hexane 271.34
    ethylene glycol 371.64
    NMP 2624.28
    cyclohexane 974.17
    DMSO 7279.74
    n-butyl acetate 5030.18
    n-octanol 876.5
    chloroform 5976.65
    n-propyl acetate 2694.85
    acetic acid 2782.43
    dichloromethane 4927.56
    cyclohexanone 6496.08
    propylene glycol 753.56
    isopropyl acetate 2965.88
    DMAc 2314.98
    2-ethoxyethanol 2182.48
    isopentanol 2552.16
    n-heptane 440.88
    ethyl formate 2262.28
    1,2-dichloroethane 3984.37
    n-hexanol 2605.53
    2-methoxyethanol 3640.84
    isobutyl acetate 1728.92
    tetrachloromethane 1133.58
    n-pentyl acetate 1821.37
    transcutol 6296.13
    n-heptanol 993.46
    ethylbenzene 377.83
    MIBK 2345.6
    2-propoxyethanol 3402.89
    tert-butanol 3050.58
    MTBE 3256.59
    2-butoxyethanol 1710.65
    propionic acid 2073.92
    o-xylene 575.66
    formic acid 452.38
    diethyl ether 3693.73
    m-xylene 730.02
    p-xylene 534.82
    chlorobenzene 1877.91
    dimethyl carbonate 777.39
    n-octane 131.11
    formamide 680.62
    cyclopentanone 6860.93
    2-pentanone 4961.62
    anisole 950.2
    cyclopentyl methyl ether 4098.66
    gamma-butyrolactone 5650.36
    1-methoxy-2-propanol 2845.77
    pyridine 3826.69
    3-pentanone 2789.09
    furfural 3474.79
    n-dodecane 81.75
    diethylene glycol 1697.0
    diisopropyl ether 1164.06
    tert-amyl alcohol 1912.72
    acetylacetone 4412.98
    n-hexadecane 101.44
    acetophenone 964.0
    methyl propionate 2518.85
    isopentyl acetate 3399.45
    trichloroethylene 5830.84
    n-nonanol 745.92
    cyclohexanol 2679.38
    benzyl alcohol 847.95
    2-ethylhexanol 1570.72
    isooctanol 769.79
    dipropyl ether 2883.56
    1,2-dichlorobenzene 1454.02
    ethyl lactate 695.97
    propylene carbonate 3113.36
    n-methylformamide 2008.0
    2-pentanol 2034.82
    n-pentane 327.76
    1-propoxy-2-propanol 3003.0
    1-methoxy-2-propyl acetate 2846.63
    2-(2-methoxypropoxy) propanol 839.01
    mesitylene 468.86
    ε-caprolactone 4249.29
    p-cymene 484.01
    epichlorohydrin 5334.72
    1,1,1-trichloroethane 3844.46
    2-aminoethanol 973.45
    morpholine-4-carbaldehyde 3044.41
    sulfolane 5216.18
    2,2,4-trimethylpentane 160.05
    2-methyltetrahydrofuran 6090.99
    n-hexyl acetate 1790.63
    isooctane 149.27
    2-(2-butoxyethoxy)ethanol 1568.41
    sec-butyl acetate 1598.05
    tert-butyl acetate 2926.95
    decalin 206.63
    glycerin 849.76
    diglyme 3830.44
    acrylic acid 1298.75
    isopropyl myristate 621.29
    n-butyric acid 4335.63
    acetyl acetate 2331.23
    di(2-ethylhexyl) phthalate 401.6
    ethyl propionate 1664.14
    nitromethane 4308.01
    1,2-diethoxyethane 3553.74
    benzonitrile 1418.4
    trioctyl phosphate 385.28
    1-bromopropane 2606.2
    gamma-valerolactone 6649.29
    n-decanol 518.31
    triethyl phosphate 688.27
    4-methyl-2-pentanol 1058.14
    propionitrile 2184.05
    vinylene carbonate 2226.09
    1,1,2-trichlorotrifluoroethane 3149.13
    DMS 884.09
    cumene 264.39
    2-octanol 608.6
    2-hexanone 2727.58
    octyl acetate 770.78
    limonene 1080.72
    1,2-dimethoxyethane 3779.81
    ethyl orthosilicate 743.17
    tributyl phosphate 513.54
    diacetone alcohol 2169.83
    N,N-dimethylaniline 495.36
    acrylonitrile 2017.05
    aniline 1602.3
    1,3-propanediol 1887.02
    bromobenzene 1967.24
    dibromomethane 3605.58
    1,1,2,2-tetrachloroethane 4866.77
    2-methyl-cyclohexyl acetate 1250.63
    tetrabutyl urea 629.56
    diisobutyl methanol 825.82
    2-phenylethanol 1115.35
    styrene 599.04
    dioctyl adipate 738.71
    dimethyl sulfate 1113.29
    ethyl butyrate 2750.07
    methyl lactate 865.3
    butyl lactate 1087.37
    diethyl carbonate 1292.53
    propanediol butyl ether 1145.64
    triethyl orthoformate 1724.69
    p-tert-butyltoluene 489.38
    methyl 4-tert-butylbenzoate 759.3
    morpholine 5575.4
    tert-butylamine 1919.92
    n-dodecanol 389.94
    dimethoxymethane 3202.15
    ethylene carbonate 2482.14
    cyrene 736.14
    2-ethoxyethyl acetate 2150.58
    2-ethylhexyl acetate 2528.18
    1,2,4-trichlorobenzene 1565.03
    4-methylpyridine 3055.87
    dibutyl ether 1857.02
    2,6-dimethyl-4-heptanol 825.82
    DEF 3242.59
    dimethyl isosorbide 1593.53
    tetrachloroethylene 3226.15
    eugenol 626.61
    triacetin 1275.93
    span 80 922.38
    1,4-butanediol 701.76
    1,1-dichloroethane 4102.91
    2-methyl-1-pentanol 1285.18
    methyl formate 1486.42
    2-methyl-1-butanol 2052.8
    n-decane 175.62
    butyronitrile 3396.36
    3,7-dimethyl-1-octanol 900.34
    1-chlorooctane 715.94
    1-chlorotetradecane 237.4
    n-nonane 184.45
    undecane 113.95
    tert-butylcyclohexane 175.1
    cyclooctane 261.33
    cyclopentanol 2908.47
    tetrahydropyran 7114.07
    tert-amyl methyl ether 1770.43
    2,5,8-trioxanonane 1704.24
    1-hexene 1052.31
    2-isopropoxyethanol 1520.93
    2,2,2-trifluoroethanol 733.98
    methyl butyrate 2532.92

    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