1,9-Nonanedithiol

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  • Identifiers

    CAS number
    3489-28-9

    Molecular formula
    C9H20S2

    SMILES
    C(CCCCS)CCCCS

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 86.52%
    Meaty 80.05%
    Fatty 72.41%
    Savory 56.78%
    Roasted 51.78%
    Vegetable 47.37%
    Mushroom 45.9%
    Burnt 44.9%
    Alliaceous 40.07%
    Onion 38.25%

     

    Flavor
    Sulfurous 49.87%
    Fatty 49.31%
    Meaty 48.35%
    Sulfury 42.06%
    Onion 36.06%
    Burnt 35.63%
    Garlic 32.56%
    Fishy 30.3%
    Roasted 29.94%
    Skunky 25.2%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    8.03 (weak base)

    Molecular weight
    192.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • -17.5 °C

    Boiling point

    • 116.00 °C. @ 0.10 mm Hg

    Flash point

    • 112.01 ˚C est.

    Solubility expt.

    • insoluble in water; miscible in oils

  • Synonyms

    • 1,9-Nonanedithiol
    • 3489-28-9
    • nonane-1,9-dithiol
    • 1,9-Dimercaptononane
    • Nonamethylene dimercaptan
    • 1,9-nonane dithiol
    • FEMA No. 3513
    • UNII-5BPJ1XQE3T
    • 5BPJ1XQE3T
    • EINECS 222-482-3
    • NSC 65658
    • NSC-65658
    • DTXSID7063053
    • 1,9-NONANEDITHIOL [FHFI]
    • MFCD00004914
    • FEMA 3513
    • NSC65658
    • 1,9Dimercaptononane
    • 1,9-Nonanedithiol, 95%
    • 1,9-Nonanedithiol, 99%
    • SCHEMBL112542
    • DTXCID9038921
    • CHEBI:166593
    • 1,9-Nonanedithiol, >=95%, FG
    • AKOS015897658
    • AS-56866
    • DB-021155
    • NS00022080
    • D97848
    • Q27261797

  • Applications

    1,9-Nonanedithiol (CAS 3489-28-9) is a bifunctional aliphatic thiol that is primarily used as a crosslinking agent and chain extender in polymer and plastics formulations; it can serve as a functional linkage in polyurethane and epoxy systems to improve network properties. In coatings and inks, it is used to enhance adhesion and film performance by introducing thiol functionality at interfaces. In adhesives, it acts as a crosslinker to improve the cohesion and mechanical strength of the polymer network. In electronics-related formulations and surface treatments, it can function as a coupling agent for metal surfaces or as a ligand/chelating component in nanoparticle and conductive ink formulations. It also serves as an intermediate in organic synthesis for introducing sulfhydryl termini in building blocks. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 193.33
    methanol 122.58
    isopropanol 236.92
    water 0.01
    ethyl acetate 492.52
    n-propanol 248.86
    acetone 710.47
    n-butanol 333.43
    acetonitrile 170.17
    DMF 419.99
    toluene 446.06
    isobutanol 225.13
    1,4-dioxane 1098.83
    methyl acetate 321.68
    THF 2473.6
    2-butanone 605.79
    n-pentanol 251.23
    sec-butanol 278.3
    n-hexane 410.2
    ethylene glycol 18.88
    NMP 577.18
    cyclohexane 1097.62
    DMSO 808.15
    n-butyl acetate 957.7
    n-octanol 196.87
    chloroform 1345.15
    n-propyl acetate 497.3
    acetic acid 198.02
    dichloromethane 1079.68
    cyclohexanone 1434.99
    propylene glycol 47.07
    isopropyl acetate 407.3
    DMAc 352.5
    2-ethoxyethanol 262.77
    isopentanol 327.79
    n-heptane 681.67
    ethyl formate 194.68
    1,2-dichloroethane 852.75
    n-hexanol 465.25
    2-methoxyethanol 350.86
    isobutyl acetate 371.06
    tetrachloromethane 366.38
    n-pentyl acetate 461.36
    transcutol 1097.53
    n-heptanol 215.54
    ethylbenzene 231.33
    MIBK 420.41
    2-propoxyethanol 501.16
    tert-butanol 443.06
    MTBE 639.39
    2-butoxyethanol 306.86
    propionic acid 181.05
    o-xylene 257.06
    formic acid 17.98
    diethyl ether 920.14
    m-xylene 255.74
    p-xylene 308.47
    chlorobenzene 464.12
    dimethyl carbonate 96.41
    n-octane 146.31
    formamide 33.56
    cyclopentanone 1366.34
    2-pentanone 657.56
    anisole 325.22
    cyclopentyl methyl ether 1208.11
    gamma-butyrolactone 914.05
    1-methoxy-2-propanol 334.64
    pyridine 884.42
    3-pentanone 517.18
    furfural 607.29
    n-dodecane 55.09
    diethylene glycol 194.44
    diisopropyl ether 350.63
    tert-amyl alcohol 348.67
    acetylacetone 544.27
    n-hexadecane 67.49
    acetophenone 320.66
    methyl propionate 291.14
    isopentyl acetate 696.09
    trichloroethylene 1283.2
    n-nonanol 191.31
    cyclohexanol 572.54
    benzyl alcohol 208.77
    2-ethylhexanol 447.24
    isooctanol 200.3
    dipropyl ether 1353.49
    1,2-dichlorobenzene 397.32
    ethyl lactate 134.07
    propylene carbonate 499.81
    n-methylformamide 111.63
    2-pentanol 297.09
    n-pentane 318.61
    1-propoxy-2-propanol 570.89
    1-methoxy-2-propyl acetate 499.23
    2-(2-methoxypropoxy) propanol 244.74
    mesitylene 192.53
    ε-caprolactone 850.67
    p-cymene 241.08
    epichlorohydrin 962.33
    1,1,1-trichloroethane 988.48
    2-aminoethanol 57.98
    morpholine-4-carbaldehyde 549.88
    sulfolane 1130.14
    2,2,4-trimethylpentane 97.23
    2-methyltetrahydrofuran 1579.66
    n-hexyl acetate 472.65
    isooctane 81.33
    2-(2-butoxyethoxy)ethanol 375.19
    sec-butyl acetate 372.98
    tert-butyl acetate 489.13
    decalin 205.22
    glycerin 68.14
    diglyme 868.27
    acrylic acid 128.23
    isopropyl myristate 222.41
    n-butyric acid 402.74
    acetyl acetate 307.0
    di(2-ethylhexyl) phthalate 133.74
    ethyl propionate 357.74
    nitromethane 284.17
    1,2-diethoxyethane 865.42
    benzonitrile 311.64
    trioctyl phosphate 123.54
    1-bromopropane 920.67
    gamma-valerolactone 1007.86
    n-decanol 138.53
    triethyl phosphate 248.84
    4-methyl-2-pentanol 186.88
    propionitrile 256.8
    vinylene carbonate 342.66
    1,1,2-trichlorotrifluoroethane 546.67
    DMS 222.1
    cumene 158.21
    2-octanol 166.72
    2-hexanone 615.56
    octyl acetate 237.16
    limonene 502.35
    1,2-dimethoxyethane 825.66
    ethyl orthosilicate 265.59
    tributyl phosphate 164.01
    diacetone alcohol 382.62
    N,N-dimethylaniline 226.38
    acrylonitrile 223.47
    aniline 307.83
    1,3-propanediol 132.17
    bromobenzene 586.84
    dibromomethane 964.01
    1,1,2,2-tetrachloroethane 1216.76
    2-methyl-cyclohexyl acetate 436.39
    tetrabutyl urea 224.27
    diisobutyl methanol 319.35
    2-phenylethanol 257.41
    styrene 313.0
    dioctyl adipate 288.26
    dimethyl sulfate 179.23
    ethyl butyrate 698.41
    methyl lactate 100.9
    butyl lactate 250.27
    diethyl carbonate 339.66
    propanediol butyl ether 201.4
    triethyl orthoformate 506.11
    p-tert-butyltoluene 237.92
    methyl 4-tert-butylbenzoate 273.35
    morpholine 1125.05
    tert-butylamine 362.83
    n-dodecanol 113.14
    dimethoxymethane 395.66
    ethylene carbonate 353.2
    cyrene 244.76
    2-ethoxyethyl acetate 414.87
    2-ethylhexyl acetate 629.5
    1,2,4-trichlorobenzene 447.48
    4-methylpyridine 699.75
    dibutyl ether 719.46
    2,6-dimethyl-4-heptanol 319.35
    DEF 523.15
    dimethyl isosorbide 516.56
    tetrachloroethylene 820.79
    eugenol 210.57
    triacetin 341.4
    span 80 301.22
    1,4-butanediol 52.3
    1,1-dichloroethane 833.17
    2-methyl-1-pentanol 241.66
    methyl formate 99.18
    2-methyl-1-butanol 273.77
    n-decane 127.68
    butyronitrile 395.82
    3,7-dimethyl-1-octanol 234.25
    1-chlorooctane 288.22
    1-chlorotetradecane 108.04
    n-nonane 149.95
    undecane 77.5
    tert-butylcyclohexane 152.08
    cyclooctane 323.1
    cyclopentanol 546.68
    tetrahydropyran 2027.11
    tert-amyl methyl ether 475.78
    2,5,8-trioxanonane 515.0
    1-hexene 691.53
    2-isopropoxyethanol 250.79
    2,2,2-trifluoroethanol 59.34
    methyl butyrate 490.09

    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