Dipropyl tetrasulfide

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  • Identifiers

    CAS number
    52687-98-6

    Molecular formula
    C6H14S4

    SMILES
    CCCSSSSCCC

  • Odor profile

    Sulfurous 85.16%
    Onion 84.59%
    Garlic 79.13%
    Alliaceous 73.32%
    Savory 56.35%
    Cooked 53.33%
    Roasted 48.57%
    Green 47.82%
    Pungent 46.34%
    Vegetable 43.19%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    Molecular weight
    214.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    298°C

    Flash point est.
    145.09 ˚C

  • Synonyms

    • Dipropyl tetrasulfide
    • Dipropyl tetrasulphide
    • 52687-98-6
    • 1-(propyltetrasulfanyl)propane
    • Tetrasulfide, dipropyl
    • R5ZTZ4GX48
    • TETRASULPHIDE, DIPROPYL
    • DTXSID70200656
    • dipropyltetrasulfide
    • Dipropyltetrasulphane
    • EINECS 258-103-3
    • 14-Dipropyltetrasulfane
    • 14-Dipropyltetrasulphane
    • Methylpropyl tetrasulphide
    • 1,4-Dipropyltetrasulfane
    • UNII-R5ZTZ4GX48
    • SCHEMBL112636
    • CHEMBL2030130
    • DTXCID00123147
    • DB-254543
    • NS00058697
    • Q67879851

  • Applications

    Dipropyl tetrasulfide (CAS 52687-98-6) is used primarily as a potent sulfurous odorant/flavoring imparting onion–garlic–leek notes in flavor and fragrance applications (savory seasonings, soups, snacks, sauces), dosed at trace levels to boost Allium authenticity or fine‑tune reaction flavors; as a reference/external standard in GC/GC–MS for profiling volatile sulfur compounds in Allium and food matrices; for sensory training and aroma research (calibration of fresh-onion, sulfury, slightly burnt notes); as a model substrate and reagent in polysulfide chemistry (S–S bond exchange/cleavage, radical reactivity) and as an organic sulfur donor/S4 unit in synthesis; it has also been investigated for antimicrobial/antioxidant activity and as a polysulfide‑based technical additive (e.g., extreme‑pressure/antiwear lubricant additive, vulcanization modifier), though practical use is typically limited to research or specialized formulations due to its very strong odor and high reactivity.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 281.11
    methanol 177.2
    isopropanol 304.73
    water 0.03
    ethyl acetate 1400.58
    n-propanol 299.96
    acetone 2864.42
    n-butanol 362.06
    acetonitrile 886.7
    DMF 4510.68
    toluene 2409.1
    isobutanol 294.08
    1,4-dioxane 3129.31
    methyl acetate 1260.93
    THF 6185.81
    2-butanone 1752.51
    n-pentanol 281.6
    sec-butanol 302.31
    n-hexane 248.26
    ethylene glycol 57.47
    NMP 5320.54
    cyclohexane 1131.44
    DMSO 3516.55
    n-butyl acetate 1637.56
    n-octanol 327.39
    chloroform 3956.38
    n-propyl acetate 985.96
    acetic acid 610.62
    dichloromethane 3682.67
    cyclohexanone 4987.58
    propylene glycol 122.06
    isopropyl acetate 1024.16
    DMAc 2843.95
    2-ethoxyethanol 490.47
    isopentanol 386.73
    n-heptane 376.3
    ethyl formate 852.84
    1,2-dichloroethane 2828.91
    n-hexanol 441.52
    2-methoxyethanol 883.91
    isobutyl acetate 715.69
    tetrachloromethane 752.14
    n-pentyl acetate 1002.89
    transcutol 1986.72
    n-heptanol 246.25
    ethylbenzene 781.18
    MIBK 1103.85
    2-propoxyethanol 734.63
    tert-butanol 504.57
    MTBE 995.69
    2-butoxyethanol 487.05
    propionic acid 438.95
    o-xylene 1080.01
    formic acid 79.34
    diethyl ether 1041.73
    m-xylene 1269.64
    p-xylene 1095.5
    chlorobenzene 2635.05
    dimethyl carbonate 745.93
    n-octane 164.24
    formamide 233.22
    cyclopentanone 6219.59
    2-pentanone 1791.29
    anisole 1432.14
    cyclopentyl methyl ether 3008.25
    gamma-butyrolactone 4501.16
    1-methoxy-2-propanol 747.83
    pyridine 4205.78
    3-pentanone 1503.95
    furfural 4431.48
    n-dodecane 106.74
    diethylene glycol 388.54
    diisopropyl ether 491.39
    tert-amyl alcohol 431.28
    acetylacetone 2975.24
    n-hexadecane 132.73
    acetophenone 1537.51
    methyl propionate 1213.34
    isopentyl acetate 1429.37
    trichloroethylene 6129.18
    n-nonanol 315.49
    cyclohexanol 932.26
    benzyl alcohol 760.94
    2-ethylhexanol 487.35
    isooctanol 233.57
    dipropyl ether 1105.58
    1,2-dichlorobenzene 2256.86
    ethyl lactate 351.61
    propylene carbonate 2332.82
    n-methylformamide 936.52
    2-pentanol 315.45
    n-pentane 218.89
    1-propoxy-2-propanol 785.34
    1-methoxy-2-propyl acetate 1494.88
    2-(2-methoxypropoxy) propanol 621.57
    mesitylene 847.36
    ε-caprolactone 2879.95
    p-cymene 603.05
    epichlorohydrin 4217.76
    1,1,1-trichloroethane 3108.93
    2-aminoethanol 132.3
    morpholine-4-carbaldehyde 3866.19
    sulfolane 6663.46
    2,2,4-trimethylpentane 126.96
    2-methyltetrahydrofuran 3369.97
    n-hexyl acetate 1209.82
    isooctane 126.8
    2-(2-butoxyethoxy)ethanol 777.1
    sec-butyl acetate 717.46
    tert-butyl acetate 1428.78
    decalin 374.43
    glycerin 181.02
    diglyme 2038.1
    acrylic acid 484.26
    isopropyl myristate 590.11
    n-butyric acid 892.57
    acetyl acetate 1249.53
    di(2-ethylhexyl) phthalate 464.95
    ethyl propionate 833.0
    nitromethane 1998.3
    1,2-diethoxyethane 1609.79
    benzonitrile 1857.31
    trioctyl phosphate 325.26
    1-bromopropane 1419.98
    gamma-valerolactone 5877.54
    n-decanol 247.63
    triethyl phosphate 574.79
    4-methyl-2-pentanol 229.54
    propionitrile 708.8
    vinylene carbonate 2068.06
    1,1,2-trichlorotrifluoroethane 2148.38
    DMS 1152.65
    cumene 450.99
    2-octanol 233.64
    2-hexanone 1103.36
    octyl acetate 667.97
    limonene 1097.9
    1,2-dimethoxyethane 2007.3
    ethyl orthosilicate 572.07
    tributyl phosphate 478.63
    diacetone alcohol 1048.95
    N,N-dimethylaniline 1034.37
    acrylonitrile 1005.57
    aniline 1402.63
    1,3-propanediol 256.49
    bromobenzene 3642.57
    dibromomethane 2466.76
    1,1,2,2-tetrachloroethane 4467.36
    2-methyl-cyclohexyl acetate 1064.96
    tetrabutyl urea 774.52
    diisobutyl methanol 420.89
    2-phenylethanol 802.0
    styrene 1231.43
    dioctyl adipate 849.76
    dimethyl sulfate 1456.85
    ethyl butyrate 1187.41
    methyl lactate 482.42
    butyl lactate 588.19
    diethyl carbonate 756.28
    propanediol butyl ether 444.02
    triethyl orthoformate 936.53
    p-tert-butyltoluene 658.26
    methyl 4-tert-butylbenzoate 1019.05
    morpholine 2918.33
    tert-butylamine 361.8
    n-dodecanol 213.4
    dimethoxymethane 2095.04
    ethylene carbonate 1700.38
    cyrene 942.54
    2-ethoxyethyl acetate 1296.53
    2-ethylhexyl acetate 1297.13
    1,2,4-trichlorobenzene 2498.19
    4-methylpyridine 4086.09
    dibutyl ether 1029.24
    2,6-dimethyl-4-heptanol 420.89
    DEF 2148.55
    dimethyl isosorbide 1981.16
    tetrachloroethylene 2508.78
    eugenol 804.26
    triacetin 1148.97
    span 80 702.46
    1,4-butanediol 125.27
    1,1-dichloroethane 2230.14
    2-methyl-1-pentanol 299.16
    methyl formate 951.27
    2-methyl-1-butanol 337.59
    n-decane 181.74
    butyronitrile 912.61
    3,7-dimethyl-1-octanol 417.19
    1-chlorooctane 578.5
    1-chlorotetradecane 262.05
    n-nonane 195.92
    undecane 132.99
    tert-butylcyclohexane 261.4
    cyclooctane 479.03
    cyclopentanol 1000.91
    tetrahydropyran 3161.96
    tert-amyl methyl ether 830.58
    2,5,8-trioxanonane 1316.9
    1-hexene 547.33
    2-isopropoxyethanol 405.9
    2,2,2-trifluoroethanol 237.92
    methyl butyrate 1261.2

    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

Botanical

Name CAS Botanical Proportion
Onion, welsh 8002-72-0 Allium fistulosum L. var. Maichuon, fam. Liliaceae 0.82%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 1.11%
Scallion (Cuba) Allium fistulosum L., fam. Liliaceae 1.5%