2-Dodecylpropane-1,3-dithiol

  • Identifiers

    Molecular formula
    C15H32S2

    SMILES
    CCCCCCCCCCCCC(CS)CS

  • Odor profile

    Fragrance
    Sulfurous 80.19%
    Meaty 71.52%
    Fatty 65.72%
    Savory 51.52%
    Roasted 44.38%
    Vegetable 36.57%
    Waxy 35.95%
    Burnt 35.24%
    Alliaceous 32.88%
    Onion 32.31%

     

    Flavor
    Bland 26.56%
    Mild 24.88%
    Sulfurous 23.96%
    Fatty 23.14%
    Skunky 22.69%
    Slightly waxy 22.47%
    Waxy 22.41%
    Delicate 21.95%
    Faint 21.87%
    Bay oil 21.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.4

    pKa est.
    7.91 (neutral)

    Molecular weight
    276.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    363°C

    Flash point

    • 142.25 ˚C est.

  • Synonyms

    • SCHEMBL2573289
  • Applications

    2-Dodecylpropane-1,3-dithiol is used primarily as a reactive dithiol intermediate in the synthesis and functionalization of polymers. It commonly serves as a thiol curing agent for epoxy resins and as a crosslinker/chain extender in polyurethane and acrylate coatings to improve chemical resistance and adhesion. Its amphiphilic structure enables use as a surfactant or coupling agent in coatings, inks, and plastics. In metal processing and catalysis contexts, it can act as a chelating ligand or stabilizer for metal complexes. It may also be evaluated as a radical scavenger or stabilizer in polymerization processes to modulate curing and aging. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 77.05
    methanol 31.04
    isopropanol 120.75
    water 0.0
    ethyl acetate 639.29
    n-propanol 128.41
    acetone 516.47
    n-butanol 209.42
    acetonitrile 74.27
    DMF 281.83
    toluene 486.4
    isobutanol 150.65
    1,4-dioxane 1021.83
    methyl acetate 325.85
    THF 2629.82
    2-butanone 598.89
    n-pentanol 169.32
    sec-butanol 191.69
    n-hexane 307.89
    ethylene glycol 3.33
    NMP 660.91
    cyclohexane 1232.68
    DMSO 478.44
    n-butyl acetate 1328.92
    n-octanol 196.25
    chloroform 1238.8
    n-propyl acetate 707.51
    acetic acid 80.75
    dichloromethane 1095.16
    cyclohexanone 1717.03
    propylene glycol 13.74
    isopropyl acetate 623.88
    DMAc 418.96
    2-ethoxyethanol 182.36
    isopentanol 282.46
    n-heptane 711.59
    ethyl formate 174.42
    1,2-dichloroethane 962.32
    n-hexanol 328.05
    2-methoxyethanol 197.46
    isobutyl acetate 557.53
    tetrachloromethane 394.5
    n-pentyl acetate 793.93
    transcutol 1171.48
    n-heptanol 209.62
    ethylbenzene 280.25
    MIBK 627.23
    2-propoxyethanol 365.03
    tert-butanol 326.86
    MTBE 824.09
    2-butoxyethanol 311.37
    propionic acid 105.35
    o-xylene 344.83
    formic acid 5.0
    diethyl ether 907.06
    m-xylene 325.69
    p-xylene 391.81
    chlorobenzene 518.72
    dimethyl carbonate 93.61
    n-octane 157.91
    formamide 11.87
    cyclopentanone 1474.68
    2-pentanone 793.64
    anisole 435.13
    cyclopentyl methyl ether 1511.25
    gamma-butyrolactone 935.5
    1-methoxy-2-propanol 241.85
    pyridine 761.31
    3-pentanone 649.78
    furfural 528.74
    n-dodecane 55.74
    diethylene glycol 93.76
    diisopropyl ether 497.35
    tert-amyl alcohol 325.65
    acetylacetone 663.69
    n-hexadecane 71.09
    acetophenone 454.47
    methyl propionate 347.68
    isopentyl acetate 1104.34
    trichloroethylene 1379.71
    n-nonanol 211.22
    cyclohexanol 538.1
    benzyl alcohol 185.25
    2-ethylhexanol 460.77
    isooctanol 239.59
    dipropyl ether 1746.25
    1,2-dichlorobenzene 511.34
    ethyl lactate 142.22
    propylene carbonate 549.36
    n-methylformamide 57.07
    2-pentanol 238.53
    n-pentane 234.84
    1-propoxy-2-propanol 553.89
    1-methoxy-2-propyl acetate 740.5
    2-(2-methoxypropoxy) propanol 284.85
    mesitylene 266.31
    ε-caprolactone 1138.86
    p-cymene 344.77
    epichlorohydrin 1123.79
    1,1,1-trichloroethane 1303.95
    2-aminoethanol 17.09
    morpholine-4-carbaldehyde 549.93
    sulfolane 1254.4
    2,2,4-trimethylpentane 117.86
    2-methyltetrahydrofuran 1901.9
    n-hexyl acetate 709.64
    isooctane 99.21
    2-(2-butoxyethoxy)ethanol 403.65
    sec-butyl acetate 599.85
    tert-butyl acetate 887.67
    decalin 254.76
    glycerin 22.9
    diglyme 1027.72
    acrylic acid 56.09
    isopropyl myristate 344.19
    n-butyric acid 334.85
    acetyl acetate 363.34
    di(2-ethylhexyl) phthalate 170.45
    ethyl propionate 545.51
    nitromethane 167.22
    1,2-diethoxyethane 1198.51
    benzonitrile 290.59
    trioctyl phosphate 155.54
    1-bromopropane 963.22
    gamma-valerolactone 1145.01
    n-decanol 150.74
    triethyl phosphate 367.66
    4-methyl-2-pentanol 197.62
    propionitrile 152.23
    vinylene carbonate 325.49
    1,1,2-trichlorotrifluoroethane 449.3
    DMS 306.23
    cumene 209.52
    2-octanol 190.68
    2-hexanone 728.12
    octyl acetate 346.39
    limonene 717.36
    1,2-dimethoxyethane 821.73
    ethyl orthosilicate 403.16
    tributyl phosphate 210.58
    diacetone alcohol 503.56
    N,N-dimethylaniline 304.31
    acrylonitrile 111.22
    aniline 274.76
    1,3-propanediol 58.78
    bromobenzene 714.15
    dibromomethane 914.46
    1,1,2,2-tetrachloroethane 1413.99
    2-methyl-cyclohexyl acetate 701.53
    tetrabutyl urea 304.84
    diisobutyl methanol 394.86
    2-phenylethanol 252.05
    styrene 346.85
    dioctyl adipate 410.29
    dimethyl sulfate 183.39
    ethyl butyrate 1071.15
    methyl lactate 87.77
    butyl lactate 324.49
    diethyl carbonate 488.88
    propanediol butyl ether 169.41
    triethyl orthoformate 808.72
    p-tert-butyltoluene 335.89
    methyl 4-tert-butylbenzoate 403.48
    morpholine 1079.65
    tert-butylamine 304.35
    n-dodecanol 118.54
    dimethoxymethane 363.2
    ethylene carbonate 382.03
    cyrene 270.12
    2-ethoxyethyl acetate 672.96
    2-ethylhexyl acetate 1024.73
    1,2,4-trichlorobenzene 575.4
    4-methylpyridine 711.34
    dibutyl ether 985.96
    2,6-dimethyl-4-heptanol 394.86
    DEF 694.64
    dimethyl isosorbide 731.0
    tetrachloroethylene 832.16
    eugenol 255.61
    triacetin 509.89
    span 80 295.81
    1,4-butanediol 23.11
    1,1-dichloroethane 927.75
    2-methyl-1-pentanol 224.46
    methyl formate 54.53
    2-methyl-1-butanol 231.87
    n-decane 143.9
    butyronitrile 293.27
    3,7-dimethyl-1-octanol 289.27
    1-chlorooctane 388.28
    1-chlorotetradecane 129.74
    n-nonane 161.13
    undecane 82.51
    tert-butylcyclohexane 185.21
    cyclooctane 351.67
    cyclopentanol 446.9
    tetrahydropyran 2168.97
    tert-amyl methyl ether 649.2
    2,5,8-trioxanonane 582.41
    1-hexene 529.19
    2-isopropoxyethanol 219.82
    2,2,2-trifluoroethanol 29.12
    methyl butyrate 728.74

    Scent© AI

1 of 4
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