tert-Nonanethiol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    25360-10-5

    Molecular formula
    C9H20S

    SMILES
    CCCCCCC(C)(C)S

    Safety labels

    Flammable
    Flammable

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sulfurous 84.62%
    Meaty 64.24%
    Tropical 44.93%
    Roasted 44.53%
    Savory 42.87%
    Vegetable 41.92%
    Onion 37.32%
    Fatty 36.52%
    Grapefruit 35.76%
    Citrus 34.08%

     

    Flavor
    Sulfurous 37.5%
    Meaty 30.1%
    Woody 29.9%
    Sulfury 29.07%
    Earthy 24.7%
    Skunky 24.12%
    Floral 23.64%
    Burnt 23.62%
    Catty 23.48%
    Green 23.42%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    10.31 (weak base)

    Molecular weight
    160.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    195°C

    Flash point

    • 64.61 ˚C est.

  • Synonyms

    • tert-Nonanethiol
    • tert-Nonyl mercaptan
    • 25360-10-5
    • 2-methyloctane-2-thiol
    • 1,1-Dimethylheptanethiol
    • EINECS 246-896-9
    • 55646-15-6
    • SULFOLE 90
    • 168S427F21
    • EC 246-896-9
    • J263.394I
    • DSSTox_CID_7868
    • DSSTox_RID_78596
    • DSSTox_GSID_27868
    • CAS-25360-10-5
    • 2-methyl-2-octanethiol
    • TERT-NONYLMERCAPTAN
    • T-nonyl mercaptan
    • tert-Nonyl mercaptan (7CI,8CI)
    • UNII-168S427F21
    • MFCD00059963
    • 2-methyl-octane-2-thiol
    • SCHEMBL971499
    • CHEMBL1870953
    • DTXSID4027868
    • DTXSID40274046
    • 1,1-Dimethylheptyl hydrosulfide #
    • Tox21_201651
    • Tox21_303530
    • AKOS015897646
    • NCGC00164070-01
    • NCGC00164070-02
    • NCGC00257354-01
    • NCGC00259200-01
    • NS00004641
    • A817812
    • Q27251793
    • 246-896-9

  • Applications

    tert-Nonanethiol (CAS 25360-10-5) is used primarily as an odorant additive in natural gas and LPG to enable leak detection; it also serves as a chemical intermediate for sulfur-containing compounds in fragrance, flavor, and personal care applications; it can function as a reactive building block in polymer and coating formulations via thiol-ene chemistry or related thiol-based modifications; as a general specialty-chemical intermediate, it enables synthesis of various sulfur-containing intermediates and functional materials; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 861.47
    methanol 572.4
    isopropanol 908.04
    water 0.24
    ethyl acetate 947.33
    n-propanol 951.71
    acetone 1026.7
    n-butanol 1225.17
    acetonitrile 390.78
    DMF 699.8
    toluene 870.66
    isobutanol 865.58
    1,4-dioxane 1730.87
    methyl acetate 739.26
    THF 2971.41
    2-butanone 1147.66
    n-pentanol 897.95
    sec-butanol 1209.79
    n-hexane 1472.38
    ethylene glycol 105.51
    NMP 776.88
    cyclohexane 1650.72
    DMSO 583.8
    n-butyl acetate 1716.52
    n-octanol 913.91
    chloroform 1594.92
    n-propyl acetate 764.4
    acetic acid 439.47
    dichloromethane 952.79
    cyclohexanone 1675.28
    propylene glycol 275.48
    isopropyl acetate 917.28
    DMAc 776.54
    2-ethoxyethanol 678.43
    isopentanol 1181.58
    n-heptane 1574.05
    ethyl formate 345.93
    1,2-dichloroethane 776.81
    n-hexanol 2239.58
    2-methoxyethanol 933.64
    isobutyl acetate 704.4
    tetrachloromethane 537.45
    n-pentyl acetate 798.39
    transcutol 2415.56
    n-heptanol 916.27
    ethylbenzene 488.4
    MIBK 862.08
    2-propoxyethanol 1752.89
    tert-butanol 1593.98
    MTBE 2296.5
    2-butoxyethanol 934.23
    propionic acid 502.29
    o-xylene 551.65
    formic acid 76.46
    diethyl ether 2065.13
    m-xylene 597.58
    p-xylene 598.87
    chlorobenzene 618.74
    dimethyl carbonate 189.45
    n-octane 402.44
    formamide 91.83
    cyclopentanone 1355.4
    2-pentanone 1171.1
    anisole 617.85
    cyclopentyl methyl ether 1947.94
    gamma-butyrolactone 879.3
    1-methoxy-2-propanol 976.39
    pyridine 950.27
    3-pentanone 962.84
    furfural 621.83
    n-dodecane 205.66
    diethylene glycol 635.41
    diisopropyl ether 1076.35
    tert-amyl alcohol 1641.27
    acetylacetone 741.6
    n-hexadecane 234.67
    acetophenone 447.89
    methyl propionate 633.17
    isopentyl acetate 1558.43
    trichloroethylene 1125.4
    n-nonanol 804.4
    cyclohexanol 1403.12
    benzyl alcohol 367.87
    2-ethylhexanol 1593.42
    isooctanol 733.81
    dipropyl ether 2403.95
    1,2-dichlorobenzene 492.11
    ethyl lactate 290.57
    propylene carbonate 606.29
    n-methylformamide 281.62
    2-pentanol 1169.61
    n-pentane 1069.33
    1-propoxy-2-propanol 1812.23
    1-methoxy-2-propyl acetate 1113.22
    2-(2-methoxypropoxy) propanol 747.27
    mesitylene 485.96
    ε-caprolactone 1212.34
    p-cymene 523.52
    epichlorohydrin 1031.63
    1,1,1-trichloroethane 1168.78
    2-aminoethanol 304.29
    morpholine-4-carbaldehyde 914.08
    sulfolane 908.41
    2,2,4-trimethylpentane 487.87
    2-methyltetrahydrofuran 2596.27
    n-hexyl acetate 1238.57
    isooctane 384.12
    2-(2-butoxyethoxy)ethanol 1061.93
    sec-butyl acetate 745.42
    tert-butyl acetate 1205.31
    decalin 512.5
    glycerin 298.84
    diglyme 1604.4
    acrylic acid 301.62
    isopropyl myristate 534.2
    n-butyric acid 897.6
    acetyl acetate 509.79
    di(2-ethylhexyl) phthalate 337.56
    ethyl propionate 631.53
    nitromethane 444.87
    1,2-diethoxyethane 1465.83
    benzonitrile 447.23
    trioctyl phosphate 336.35
    1-bromopropane 1299.8
    gamma-valerolactone 1258.97
    n-decanol 580.98
    triethyl phosphate 413.77
    4-methyl-2-pentanol 777.68
    propionitrile 629.37
    vinylene carbonate 413.54
    1,1,2-trichlorotrifluoroethane 779.27
    DMS 465.35
    cumene 358.74
    2-octanol 625.85
    2-hexanone 1085.55
    octyl acetate 588.28
    limonene 1083.71
    1,2-dimethoxyethane 1358.65
    ethyl orthosilicate 512.77
    tributyl phosphate 400.03
    diacetone alcohol 961.82
    N,N-dimethylaniline 454.34
    acrylonitrile 405.56
    aniline 609.3
    1,3-propanediol 486.44
    bromobenzene 697.7
    dibromomethane 987.34
    1,1,2,2-tetrachloroethane 1284.31
    2-methyl-cyclohexyl acetate 870.49
    tetrabutyl urea 471.18
    diisobutyl methanol 897.65
    2-phenylethanol 693.01
    styrene 534.27
    dioctyl adipate 545.4
    dimethyl sulfate 242.41
    ethyl butyrate 1031.36
    methyl lactate 282.49
    butyl lactate 541.41
    diethyl carbonate 549.09
    propanediol butyl ether 764.3
    triethyl orthoformate 930.28
    p-tert-butyltoluene 584.4
    methyl 4-tert-butylbenzoate 572.96
    morpholine 2024.25
    tert-butylamine 1463.76
    n-dodecanol 447.94
    dimethoxymethane 708.72
    ethylene carbonate 447.56
    cyrene 452.96
    2-ethoxyethyl acetate 701.95
    2-ethylhexyl acetate 1397.06
    1,2,4-trichlorobenzene 618.52
    4-methylpyridine 994.15
    dibutyl ether 1603.37
    2,6-dimethyl-4-heptanol 897.65
    DEF 904.93
    dimethyl isosorbide 975.14
    tetrachloroethylene 853.47
    eugenol 466.4
    triacetin 690.41
    span 80 849.85
    1,4-butanediol 197.64
    1,1-dichloroethane 1024.69
    2-methyl-1-pentanol 904.8
    methyl formate 192.62
    2-methyl-1-butanol 1112.73
    n-decane 413.94
    butyronitrile 876.05
    3,7-dimethyl-1-octanol 1012.69
    1-chlorooctane 812.85
    1-chlorotetradecane 304.7
    n-nonane 482.54
    undecane 276.34
    tert-butylcyclohexane 531.38
    cyclooctane 703.02
    cyclopentanol 1054.61
    tetrahydropyran 2929.93
    tert-amyl methyl ether 1796.4
    2,5,8-trioxanonane 982.78
    1-hexene 1943.73
    2-isopropoxyethanol 698.76
    2,2,2-trifluoroethanol 122.38
    methyl butyrate 753.83

    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