Dipropyl trisulfide

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  • Identifiers

    CAS number
    6028-61-1

    Molecular formula
    C6H14S3

    SMILES
    CCCSSSCCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sulfurous 85.68%
    Onion 84.06%
    Garlic 78.64%
    Alliaceous 77.32%
    Green 65.4%
    Savory 56.43%
    Vegetable 55.72%
    Cooked 51.59%
    Roasted 44.87%
    Pungent 43.87%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    4.11 (weak acid)

    Molecular weight
    182.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 86.00 to 89.00 °C. @ 1.50 mm Hg

    Flash point est.
    107.37 ˚C

    Solubility expt.

    • slightly
    • almost insoluble in water; soluble in alcohol and oils

  • Synonyms

    • Dipropyl trisulfide
    • 6028-61-1
    • 1,3-Dipropyltrisulfane
    • Trisulfide, dipropyl
    • Dipropyl trisulphide
    • PROPYL TRISULFIDE
    • 1-(propyltrisulfanyl)propane
    • Di-n-propyl trisulfide
    • dipropyltrisulfane
    • FEMA No. 3276
    • CCRIS 3264
    • EINECS 227-903-4
    • UNII-U4529NM2C1
    • BRN 1736293
    • 4,5,6-Trithianonane
    • DTXSID5047401
    • FEMA 3276
    • DIPROPYL TRISULFIDE [FHFI]
    • U4529NM2C1
    • FEMA NO. 4042, DIPROPYL-
    • Dipropyltrisulfide
    • Dipropyltrisulphane
    • MFCD00040074
    • 1,3-Dipropyltrisulfane #
    • 1-(propyltrisulanyl)propane
    • SCHEMBL564543
    • Dipropyl trisulfide, AldrichCPR
    • CHEMBL3222023
    • DTXCID3027401
    • 1-propylsulfanyldisulfanyl-propane
    • CHEBI:173865
    • Dipropyl trisulfide, >=95%, FG
    • NSC798036
    • AKOS006272331
    • NSC-798036
    • AS-14722
    • DB-003634
    • D5750
    • NS00009127
    • D95313
    • Q27290661

  • Applications

    Dipropyl trisulfide (CAS 6028-61-1) is an organosulfur compound with a characteristic onion/garlic note, used primarily as a high-impact flavor ingredient at trace levels to deliver sulfurous, fried-onion and roasted-meaty nuances in seasonings, soups, sauces, snacks and meat analogs; it is also employed as an analytical reference standard for GC‑MS and sensory studies of Allium aromas, for tracking thermal flavor formation, and as a benchmark in quality control of onion/garlic oils and flavor raw materials; beyond foods, it serves in chemical and biological research as a polysulfide donor and model substrate for sulfur redox chemistry, as a precursor or reference in transformations of linear sulfides, and occasionally to fine-tune culinary sulfur notes in non-food fragrance applications.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 357.81
    methanol 230.28
    isopropanol 386.4
    water 0.03
    ethyl acetate 1438.06
    n-propanol 378.69
    acetone 2826.86
    n-butanol 466.94
    acetonitrile 887.72
    DMF 3520.02
    toluene 2113.19
    isobutanol 369.35
    1,4-dioxane 2954.91
    methyl acetate 1221.05
    THF 5778.48
    2-butanone 1814.64
    n-pentanol 310.86
    sec-butanol 378.9
    n-hexane 322.28
    ethylene glycol 64.24
    NMP 4229.53
    cyclohexane 1438.03
    DMSO 3153.3
    n-butyl acetate 1892.53
    n-octanol 399.87
    chloroform 3716.6
    n-propyl acetate 976.58
    acetic acid 610.28
    dichloromethane 3417.95
    cyclohexanone 5251.65
    propylene glycol 129.55
    isopropyl acetate 999.99
    DMAc 2240.85
    2-ethoxyethanol 445.12
    isopentanol 453.99
    n-heptane 586.74
    ethyl formate 824.3
    1,2-dichloroethane 2497.34
    n-hexanol 570.5
    2-methoxyethanol 852.49
    isobutyl acetate 689.71
    tetrachloromethane 851.15
    n-pentyl acetate 1052.69
    transcutol 1752.66
    n-heptanol 299.32
    ethylbenzene 729.12
    MIBK 1064.43
    2-propoxyethanol 797.84
    tert-butanol 632.61
    MTBE 1071.09
    2-butoxyethanol 502.92
    propionic acid 505.8
    o-xylene 1028.99
    formic acid 70.7
    diethyl ether 1180.75
    m-xylene 1141.46
    p-xylene 1018.99
    chlorobenzene 2264.84
    dimethyl carbonate 632.39
    n-octane 224.02
    formamide 178.6
    cyclopentanone 5997.22
    2-pentanone 1836.7
    anisole 1185.49
    cyclopentyl methyl ether 2872.69
    gamma-butyrolactone 4294.71
    1-methoxy-2-propanol 723.21
    pyridine 3527.33
    3-pentanone 1557.03
    furfural 3653.97
    n-dodecane 135.79
    diethylene glycol 405.91
    diisopropyl ether 528.29
    tert-amyl alcohol 518.07
    acetylacetone 2477.33
    n-hexadecane 166.6
    acetophenone 1253.97
    methyl propionate 1166.66
    isopentyl acetate 1513.22
    trichloroethylene 4855.6
    n-nonanol 377.92
    cyclohexanol 1134.11
    benzyl alcohol 646.0
    2-ethylhexanol 592.33
    isooctanol 273.47
    dipropyl ether 1379.94
    1,2-dichlorobenzene 1958.42
    ethyl lactate 346.5
    propylene carbonate 2144.48
    n-methylformamide 820.33
    2-pentanol 391.47
    n-pentane 286.46
    1-propoxy-2-propanol 909.55
    1-methoxy-2-propyl acetate 1396.56
    2-(2-methoxypropoxy) propanol 600.02
    mesitylene 831.7
    ε-caprolactone 2906.55
    p-cymene 663.87
    epichlorohydrin 3567.49
    1,1,1-trichloroethane 3056.45
    2-aminoethanol 142.26
    morpholine-4-carbaldehyde 3282.64
    sulfolane 5814.41
    2,2,4-trimethylpentane 137.77
    2-methyltetrahydrofuran 3397.45
    n-hexyl acetate 1256.63
    isooctane 140.21
    2-(2-butoxyethoxy)ethanol 753.27
    sec-butyl acetate 700.62
    tert-butyl acetate 1347.91
    decalin 409.32
    glycerin 183.98
    diglyme 1831.68
    acrylic acid 501.74
    isopropyl myristate 619.33
    n-butyric acid 990.01
    acetyl acetate 1086.15
    di(2-ethylhexyl) phthalate 448.19
    ethyl propionate 841.88
    nitromethane 1651.38
    1,2-diethoxyethane 1520.55
    benzonitrile 1629.38
    trioctyl phosphate 357.59
    1-bromopropane 1539.28
    gamma-valerolactone 5162.74
    n-decanol 299.58
    triethyl phosphate 604.69
    4-methyl-2-pentanol 259.94
    propionitrile 814.91
    vinylene carbonate 1846.41
    1,1,2-trichlorotrifluoroethane 1692.78
    DMS 996.77
    cumene 426.41
    2-octanol 287.53
    2-hexanone 1088.57
    octyl acetate 695.74
    limonene 1268.51
    1,2-dimethoxyethane 1722.87
    ethyl orthosilicate 585.03
    tributyl phosphate 493.28
    diacetone alcohol 992.58
    N,N-dimethylaniline 826.61
    acrylonitrile 1051.59
    aniline 1237.85
    1,3-propanediol 279.62
    bromobenzene 3023.78
    dibromomethane 2407.56
    1,1,2,2-tetrachloroethane 3737.91
    2-methyl-cyclohexyl acetate 1088.42
    tetrabutyl urea 771.95
    diisobutyl methanol 499.83
    2-phenylethanol 748.15
    styrene 1079.74
    dioctyl adipate 820.51
    dimethyl sulfate 1156.35
    ethyl butyrate 1335.16
    methyl lactate 438.46
    butyl lactate 604.11
    diethyl carbonate 808.61
    propanediol butyl ether 464.92
    triethyl orthoformate 965.72
    p-tert-butyltoluene 703.85
    methyl 4-tert-butylbenzoate 909.74
    morpholine 2731.6
    tert-butylamine 454.76
    n-dodecanol 257.36
    dimethoxymethane 1670.02
    ethylene carbonate 1605.13
    cyrene 804.07
    2-ethoxyethyl acetate 1153.44
    2-ethylhexyl acetate 1376.38
    1,2,4-trichlorobenzene 2070.55
    4-methylpyridine 3465.02
    dibutyl ether 1183.27
    2,6-dimethyl-4-heptanol 499.83
    DEF 2014.64
    dimethyl isosorbide 1746.41
    tetrachloroethylene 2205.22
    eugenol 685.95
    triacetin 1068.6
    span 80 717.7
    1,4-butanediol 124.87
    1,1-dichloroethane 2284.3
    2-methyl-1-pentanol 309.91
    methyl formate 839.3
    2-methyl-1-butanol 403.58
    n-decane 238.69
    butyronitrile 1060.73
    3,7-dimethyl-1-octanol 489.49
    1-chlorooctane 654.73
    1-chlorotetradecane 301.19
    n-nonane 265.66
    undecane 170.24
    tert-butylcyclohexane 293.76
    cyclooctane 569.85
    cyclopentanol 1196.85
    tetrahydropyran 3540.41
    tert-amyl methyl ether 878.42
    2,5,8-trioxanonane 1223.63
    1-hexene 655.73
    2-isopropoxyethanol 377.99
    2,2,2-trifluoroethanol 227.36
    methyl butyrate 1249.17

    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 8002-72-0 Allium cepa L., fam. Liliaceae 8.0%
Onion (shallot) 8002-72-0 Allium cepa L., Aggregatum g., fam. Liliaceae 4.4%
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 0.01%
Onion, welsh 8002-72-0 Allium fistulosum L. var. Maichuon, fam. Liliaceae 3.86%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 2.44%
Scallion (Cuba) Allium fistulosum L., fam. Liliaceae 12.3%
Asafoetida (Pakistan) 2 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.01%