Dodecyl sulfide

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  • Identifiers

    CAS number
    2469-45-6

    Molecular formula
    C24H50S

    SMILES
    CCCCCCCCCCCCSCCCCCCCCCCCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fatty 60.0%
    Sulfurous 58.68%
    Meaty 54.3%
    Waxy 50.36%
    Savory 41.26%
    Oily 33.75%
    Burnt 31.46%
    Roasted 30.61%
    Alliaceous 28.97%
    Cooked 28.49%

     

    Flavor
    Waxy 39.79%
    Alkane 39.19%
    Bland 27.47%
    Mild 23.89%
    Slightly waxy 22.51%
    Delicate 22.26%
    Faint 21.27%
    Incense 20.82%
    Citrus peel 20.77%
    Bay oil 20.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.0

    pKa est.
    7.64 (neutral)

    Molecular weight
    370.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    447°C

    Flash point

    • 214.94 ˚C est.

  • Synonyms

    • Dodecyl sulfide
    • 2469-45-6
    • Dodecane, 1,1'-thiobis-
    • Dilauryl sulfide
    • di-n-dodecyl sulfide
    • UNII-M8CF2NUW66
    • M8CF2NUW66
    • EINECS 219-587-1
    • NSC-12039
    • DTXSID3062443
    • DODECANE, 1,1'-THIOBIS
    • Dodecyl sulfide (8CI)
    • RefChem:135505
    • DTXCID3037129
    • 219-587-1
    • UPYPTOCXMIWHSG-UHFFFAOYSA-N
    • Didodecyl sulfide
    • n-Dodecyl sulfide
    • 1-dodecylsulfanyldodecane
    • Bis(dodecyl)sulfide
    • Bis(n-dodecyl)sulfide
    • 1-(Dodecylsulfanyl)dodecane
    • didodecylsulfane
    • MFCD00008975
    • NSC 12039
    • dodecylthiododecane
    • Lauryl Sulfide
    • Didodecyl sulphide
    • C24H50S
    • Dodecane,1'-thiobis-
    • Dodecyl sulfide, 93%
    • SCHEMBL181266
    • 1-(Dodecylsulfanyl)dodecane #
    • SCHEMBL9716531
    • NSC12039
    • SBB056778
    • AKOS015915999
    • AS-57953
    • SY049320
    • DB-046521
    • CS-0320611
    • D1327
    • NS00027720
    • ST50981594
    • D89836
    • Q27283624
    • 2469-45-6

  • Applications

    Dodecyl sulfide (CAS 2469-45-6) is principally used as a dialkyl sulfide intermediate in organic synthesis to prepare thioether derivatives. It also acts as a nonpolar solvent and processing aid for formulations in coatings, adhesives, inks, and polymer systems. It may function as a lubricant additive or viscosity modifier in industrial lubricants. In perfumery or fragrance contexts, long-chain sulfur-containing sulfides can be used as odorants or fragrance components contributing sulfur notes. It may serve as a chemical building block or precursor in the synthesis of sulfur-containing polymers and specialty materials. Additionally, it can be utilized as a nonpolar solvent in cleaning or formulation processes for oily residues.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.78
    methanol 8.5
    isopropanol 31.39
    water 0.01
    ethyl acetate 454.04
    n-propanol 40.46
    acetone 218.5
    n-butanol 67.74
    acetonitrile 37.95
    DMF 244.13
    toluene 266.83
    isobutanol 58.59
    1,4-dioxane 541.66
    methyl acetate 204.58
    THF 1616.88
    2-butanone 320.47
    n-pentanol 59.11
    sec-butanol 68.57
    n-hexane 131.94
    ethylene glycol 1.34
    NMP 993.56
    cyclohexane 927.1
    DMSO 348.4
    n-butyl acetate 834.53
    n-octanol 158.04
    chloroform 1115.07
    n-propyl acetate 557.64
    acetic acid 55.64
    dichloromethane 1020.73
    cyclohexanone 1440.05
    propylene glycol 5.84
    isopropyl acetate 554.37
    DMAc 559.92
    2-ethoxyethanol 104.86
    isopentanol 112.49
    n-heptane 428.68
    ethyl formate 135.58
    1,2-dichloroethane 783.8
    n-hexanol 93.95
    2-methoxyethanol 99.64
    isobutyl acetate 468.82
    tetrachloromethane 404.79
    n-pentyl acetate 1048.72
    transcutol 947.4
    n-heptanol 131.58
    ethylbenzene 181.15
    MIBK 486.26
    2-propoxyethanol 172.41
    tert-butanol 107.57
    MTBE 377.07
    2-butoxyethanol 255.7
    propionic acid 77.42
    o-xylene 259.83
    formic acid 4.82
    diethyl ether 302.13
    m-xylene 209.45
    p-xylene 282.84
    chlorobenzene 431.03
    dimethyl carbonate 107.15
    n-octane 134.95
    formamide 12.18
    cyclopentanone 1378.45
    2-pentanone 453.34
    anisole 357.61
    cyclopentyl methyl ether 1238.58
    gamma-butyrolactone 1027.26
    1-methoxy-2-propanol 139.26
    pyridine 456.11
    3-pentanone 453.02
    furfural 558.01
    n-dodecane 51.16
    diethylene glycol 39.65
    diisopropyl ether 306.86
    tert-amyl alcohol 161.96
    acetylacetone 627.56
    n-hexadecane 66.7
    acetophenone 455.41
    methyl propionate 293.11
    isopentyl acetate 903.12
    trichloroethylene 1271.77
    n-nonanol 184.29
    cyclohexanol 313.44
    benzyl alcohol 114.25
    2-ethylhexanol 237.96
    isooctanol 181.05
    dipropyl ether 1086.61
    1,2-dichlorobenzene 548.27
    ethyl lactate 148.28
    propylene carbonate 673.26
    n-methylformamide 49.13
    2-pentanol 90.98
    n-pentane 89.59
    1-propoxy-2-propanol 338.2
    1-methoxy-2-propyl acetate 709.65
    2-(2-methoxypropoxy) propanol 274.28
    mesitylene 216.4
    ε-caprolactone 1140.47
    p-cymene 319.5
    epichlorohydrin 971.83
    1,1,1-trichloroethane 1274.59
    2-aminoethanol 7.05
    morpholine-4-carbaldehyde 649.79
    sulfolane 1803.82
    2,2,4-trimethylpentane 96.1
    2-methyltetrahydrofuran 1232.57
    n-hexyl acetate 842.89
    isooctane 65.79
    2-(2-butoxyethoxy)ethanol 350.06
    sec-butyl acetate 570.1
    tert-butyl acetate 937.23
    decalin 254.86
    glycerin 12.71
    diglyme 1140.81
    acrylic acid 44.5
    isopropyl myristate 401.72
    n-butyric acid 251.14
    acetyl acetate 362.0
    di(2-ethylhexyl) phthalate 176.79
    ethyl propionate 530.43
    nitromethane 163.31
    1,2-diethoxyethane 947.53
    benzonitrile 192.67
    trioctyl phosphate 168.83
    1-bromopropane 552.91
    gamma-valerolactone 1264.62
    n-decanol 121.77
    triethyl phosphate 558.64
    4-methyl-2-pentanol 97.55
    propionitrile 74.08
    vinylene carbonate 404.51
    1,1,2-trichlorotrifluoroethane 523.56
    DMS 360.92
    cumene 160.97
    2-octanol 151.35
    2-hexanone 468.43
    octyl acetate 385.33
    limonene 721.18
    1,2-dimethoxyethane 542.55
    ethyl orthosilicate 605.85
    tributyl phosphate 249.54
    diacetone alcohol 471.86
    N,N-dimethylaniline 307.81
    acrylonitrile 61.27
    aniline 174.85
    1,3-propanediol 23.25
    bromobenzene 633.55
    dibromomethane 751.11
    1,1,2,2-tetrachloroethane 1438.13
    2-methyl-cyclohexyl acetate 835.4
    tetrabutyl urea 409.75
    diisobutyl methanol 298.89
    2-phenylethanol 136.89
    styrene 211.18
    dioctyl adipate 519.69
    dimethyl sulfate 291.83
    ethyl butyrate 1112.61
    methyl lactate 87.46
    butyl lactate 406.97
    diethyl carbonate 553.48
    propanediol butyl ether 135.47
    triethyl orthoformate 1060.54
    p-tert-butyltoluene 310.45
    methyl 4-tert-butylbenzoate 592.97
    morpholine 566.58
    tert-butylamine 99.95
    n-dodecanol 90.57
    dimethoxymethane 273.16
    ethylene carbonate 448.21
    cyrene 302.98
    2-ethoxyethyl acetate 828.76
    2-ethylhexyl acetate 918.43
    1,2,4-trichlorobenzene 643.56
    4-methylpyridine 476.24
    dibutyl ether 926.51
    2,6-dimethyl-4-heptanol 298.89
    DEF 617.98
    dimethyl isosorbide 924.77
    tetrachloroethylene 851.27
    eugenol 301.24
    triacetin 791.87
    span 80 286.74
    1,4-butanediol 10.6
    1,1-dichloroethane 634.55
    2-methyl-1-pentanol 100.79
    methyl formate 53.42
    2-methyl-1-butanol 102.94
    n-decane 141.46
    butyronitrile 129.18
    3,7-dimethyl-1-octanol 253.44
    1-chlorooctane 410.02
    1-chlorotetradecane 127.81
    n-nonane 146.51
    undecane 78.35
    tert-butylcyclohexane 165.7
    cyclooctane 318.57
    cyclopentanol 274.53
    tetrahydropyran 1123.18
    tert-amyl methyl ether 458.98
    2,5,8-trioxanonane 593.76
    1-hexene 181.53
    2-isopropoxyethanol 133.3
    2,2,2-trifluoroethanol 35.57
    methyl butyrate 675.14

    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