2-Nonyl-1,3-benzothiazole

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  • Identifiers

    CAS number
    6340-30-3

    Molecular formula
    C16H23NS

    SMILES
    CCCCCCCCCC1=NC2=CC=CC=C2S1

    Safety labels

  • Odor profile

    Fragrance
    Fatty 61.16%
    Green 51.7%
    Meaty 49.67%
    Roasted 45.39%
    Vegetable 41.08%
    Earthy 39.5%
    Nutty 39.29%
    Waxy 34.53%
    Burnt 33.95%
    Oily 33.04%

     

    Flavor
    Green 40.07%
    Fatty 37.54%
    Herbal 32.21%
    Pepper 30.27%
    Earthy 27.8%
    Waxy 26.84%
    Roasted 25.37%
    Mushroom 24.91%
    Musty 24.16%
    Oily 23.8%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.8

    pKa est.
    6.04 (neutral)

    Molecular weight
    261.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    381°C

    Flash point

    • 138.45 ˚C est.

  • Synonyms

    • 6340-30-3
    • 2-nonyl-1,3-benzothiazole
    • NSC51386
    • SCHEMBL11596488
    • DTXSID10979571
    • NSC-51386
    • 6340-30-3

  • Applications

    2-Nonyl-1,3-benzothiazole (CAS 6340-30-3) is commonly considered a chemical intermediate and building block in the synthesis of specialty compounds for the chemical industry, with potential applications across fragrance, cosmetics, coatings, and plastics. It may be used as an odorant and fixative ingredient in perfumery and personal care formulations, helping to stabilize and extend fragrance. Additionally, it is often evaluated as an intermediate for the production of dyes, pigments, and related additives for coatings/inks and plastics, and can serve as a platform for developing other polymer-related syntheses, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 562.63
    methanol 283.33
    isopropanol 381.05
    water 0.01
    ethyl acetate 1513.42
    n-propanol 544.85
    acetone 2453.06
    n-butanol 599.7
    acetonitrile 369.05
    DMF 1924.06
    toluene 928.74
    isobutanol 464.26
    1,4-dioxane 2051.06
    methyl acetate 1125.98
    THF 3232.2
    2-butanone 1961.92
    n-pentanol 451.33
    sec-butanol 461.74
    n-hexane 121.78
    ethylene glycol 24.23
    NMP 1422.05
    cyclohexane 282.24
    DMSO 993.59
    n-butyl acetate 1484.12
    n-octanol 208.48
    chloroform 2217.93
    n-propyl acetate 1133.14
    acetic acid 271.6
    dichloromethane 2744.23
    cyclohexanone 2803.3
    propylene glycol 69.68
    isopropyl acetate 991.05
    DMAc 1599.95
    2-ethoxyethanol 603.63
    isopentanol 578.05
    n-heptane 85.49
    ethyl formate 539.36
    1,2-dichloroethane 2217.59
    n-hexanol 528.32
    2-methoxyethanol 808.09
    isobutyl acetate 886.59
    tetrachloromethane 307.14
    n-pentyl acetate 845.46
    transcutol 2606.73
    n-heptanol 205.7
    ethylbenzene 384.02
    MIBK 875.72
    2-propoxyethanol 869.16
    tert-butanol 387.99
    MTBE 1088.42
    2-butoxyethanol 456.2
    propionic acid 300.35
    o-xylene 357.62
    formic acid 30.18
    diethyl ether 1703.6
    m-xylene 418.23
    p-xylene 485.45
    chlorobenzene 1000.58
    dimethyl carbonate 362.07
    n-octane 43.98
    formamide 86.4
    cyclopentanone 2533.88
    2-pentanone 1826.29
    anisole 757.54
    cyclopentyl methyl ether 1562.94
    gamma-butyrolactone 1742.5
    1-methoxy-2-propanol 654.13
    pyridine 1950.25
    3-pentanone 1358.04
    furfural 1044.48
    n-dodecane 30.55
    diethylene glycol 286.46
    diisopropyl ether 384.45
    tert-amyl alcohol 410.51
    acetylacetone 1517.07
    n-hexadecane 37.51
    acetophenone 723.89
    methyl propionate 1090.98
    isopentyl acetate 1225.93
    trichloroethylene 3247.08
    n-nonanol 206.11
    cyclohexanol 666.53
    benzyl alcohol 484.48
    2-ethylhexanol 380.95
    isooctanol 204.43
    dipropyl ether 817.29
    1,2-dichlorobenzene 766.11
    ethyl lactate 239.01
    propylene carbonate 1002.2
    n-methylformamide 386.31
    2-pentanol 429.65
    n-pentane 98.39
    1-propoxy-2-propanol 676.89
    1-methoxy-2-propyl acetate 979.82
    2-(2-methoxypropoxy) propanol 408.6
    mesitylene 218.34
    ε-caprolactone 1883.71
    p-cymene 199.33
    epichlorohydrin 2582.1
    1,1,1-trichloroethane 1383.81
    2-aminoethanol 103.94
    morpholine-4-carbaldehyde 1517.91
    sulfolane 1491.88
    2,2,4-trimethylpentane 49.92
    2-methyltetrahydrofuran 2328.17
    n-hexyl acetate 879.6
    isooctane 34.97
    2-(2-butoxyethoxy)ethanol 626.46
    sec-butyl acetate 787.11
    tert-butyl acetate 860.51
    decalin 105.11
    glycerin 83.52
    diglyme 1408.7
    acrylic acid 191.82
    isopropyl myristate 317.94
    n-butyric acid 760.09
    acetyl acetate 652.07
    di(2-ethylhexyl) phthalate 228.45
    ethyl propionate 828.85
    nitromethane 657.73
    1,2-diethoxyethane 1684.4
    benzonitrile 597.57
    trioctyl phosphate 155.94
    1-bromopropane 1345.86
    gamma-valerolactone 2663.49
    n-decanol 151.62
    triethyl phosphate 276.86
    4-methyl-2-pentanol 243.24
    propionitrile 486.47
    vinylene carbonate 746.79
    1,1,2-trichlorotrifluoroethane 801.58
    DMS 657.52
    cumene 222.27
    2-octanol 169.64
    2-hexanone 1216.74
    octyl acetate 385.03
    limonene 355.32
    1,2-dimethoxyethane 1760.01
    ethyl orthosilicate 283.69
    tributyl phosphate 239.24
    diacetone alcohol 618.85
    N,N-dimethylaniline 420.13
    acrylonitrile 448.93
    aniline 655.16
    1,3-propanediol 251.23
    bromobenzene 1208.36
    dibromomethane 1701.87
    1,1,2,2-tetrachloroethane 2338.85
    2-methyl-cyclohexyl acetate 592.72
    tetrabutyl urea 356.11
    diisobutyl methanol 186.51
    2-phenylethanol 477.19
    styrene 584.06
    dioctyl adipate 407.87
    dimethyl sulfate 447.73
    ethyl butyrate 842.34
    methyl lactate 218.14
    butyl lactate 417.87
    diethyl carbonate 456.99
    propanediol butyl ether 317.66
    triethyl orthoformate 526.48
    p-tert-butyltoluene 177.16
    methyl 4-tert-butylbenzoate 397.0
    morpholine 2441.83
    tert-butylamine 264.63
    n-dodecanol 121.55
    dimethoxymethane 1530.73
    ethylene carbonate 774.89
    cyrene 405.7
    2-ethoxyethyl acetate 1172.94
    2-ethylhexyl acetate 1011.01
    1,2,4-trichlorobenzene 854.2
    4-methylpyridine 2017.1
    dibutyl ether 694.07
    2,6-dimethyl-4-heptanol 186.51
    DEF 1812.24
    dimethyl isosorbide 810.96
    tetrachloroethylene 1409.22
    eugenol 390.6
    triacetin 618.88
    span 80 365.68
    1,4-butanediol 111.28
    1,1-dichloroethane 1750.51
    2-methyl-1-pentanol 465.14
    methyl formate 299.52
    2-methyl-1-butanol 562.93
    n-decane 56.99
    butyronitrile 703.77
    3,7-dimethyl-1-octanol 256.66
    1-chlorooctane 280.49
    1-chlorotetradecane 103.8
    n-nonane 54.9
    undecane 39.06
    tert-butylcyclohexane 79.63
    cyclooctane 72.12
    cyclopentanol 558.48
    tetrahydropyran 2813.6
    tert-amyl methyl ether 718.7
    2,5,8-trioxanonane 756.39
    1-hexene 604.79
    2-isopropoxyethanol 488.34
    2,2,2-trifluoroethanol 74.58
    methyl butyrate 1217.12

    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