1-(Ethyltrisulfanyl)propane

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  • Identifiers

    CAS number
    31499-70-4

    Molecular formula
    C5H12S3

    SMILES
    CCCSSSCC

  • Odor profile

    Fragrance
    Sulfurous 87.5%
    Onion 85.47%
    Garlic 80.64%
    Alliaceous 77.26%
    Savory 57.18%
    Green 56.99%
    Cooked 52.11%
    Vegetable 51.01%
    Roasted 47.59%
    Pungent 43.72%

     

    Flavor
    Onion 80.48%
    Garlic 73.59%
    Green 69.39%
    Sulfurous 66.55%
    Alliaceous 46.72%
    Metallic 39.81%
    Sulfury 37.07%
    Cabbage 35.22%
    Radish 30.08%
    Cooked 30.06%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    4.05 (weak acid)

    Molecular weight
    168.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    227°C

    Flash point

    • 98.8 ˚C est.

    Solubility expt.

    • Soluble in non-polar solvents; insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 1-(Ethyltrisulfanyl)propane
    • 31499-70-4
    • Ethyl propyl trisulfide
    • Trisulfide, ethyl propyl
    • 1-ETHYL-3-PROPYLTRISULFANE
    • UNII-4SOS6O9G2X
    • FEMA No. 4042, ethyl propyl-
    • 4SOS6O9G2X
    • DTXSID10185397
    • 3,4,5-TRITHIAOCTANE
    • SCHEMBL15686216
    • DTXCID20107888
    • SHEIYCJSZOMHMI-UHFFFAOYSA-N
    • AKOS006288250
    • NS00125299
    • Q27260439

  • Applications

    1-(Ethyltrisulfanyl)propane is primarily used as an organosulfur chemical intermediate. It serves as a sulfur-donor reagent to introduce trisulfide functionalities into organic substrates, enabling downstream modification of polymers and coatings. In industrial manufacturing, it can function as a reactive intermediate for crosslinking or curing formulations, notably in adhesives, sealants, and coatings, as well as in polymer matrices. It also acts as a precursor for polysulfide sealants and specialty polymers, and can serve as a building block in rubber/elastomer formulations to enable controlled sulfur release. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 798.9
    methanol 598.65
    isopropanol 753.04
    water 0.13
    ethyl acetate 2066.18
    n-propanol 713.75
    acetone 4199.71
    n-butanol 852.25
    acetonitrile 1703.46
    DMF 5167.45
    toluene 2669.55
    isobutanol 653.7
    1,4-dioxane 4308.94
    methyl acetate 1796.97
    THF 6841.56
    2-butanone 2652.82
    n-pentanol 550.71
    sec-butanol 687.49
    n-hexane 358.58
    ethylene glycol 156.1
    NMP 4928.42
    cyclohexane 1576.86
    DMSO 5108.92
    n-butyl acetate 2603.72
    n-octanol 578.08
    chloroform 4511.98
    n-propyl acetate 1341.28
    acetic acid 1082.65
    dichloromethane 4175.79
    cyclohexanone 6750.08
    propylene glycol 251.12
    isopropyl acetate 1367.25
    DMAc 2945.88
    2-ethoxyethanol 796.13
    isopentanol 736.82
    n-heptane 655.16
    ethyl formate 1239.51
    1,2-dichloroethane 2991.12
    n-hexanol 952.99
    2-methoxyethanol 1556.23
    isobutyl acetate 892.45
    tetrachloromethane 1087.6
    n-pentyl acetate 1327.93
    transcutol 2785.86
    n-heptanol 452.94
    ethylbenzene 902.53
    MIBK 1394.31
    2-propoxyethanol 1384.56
    tert-butanol 1137.85
    MTBE 1582.78
    2-butoxyethanol 744.15
    propionic acid 801.16
    o-xylene 1244.28
    formic acid 144.73
    diethyl ether 1852.42
    m-xylene 1411.77
    p-xylene 1181.17
    chlorobenzene 2840.97
    dimethyl carbonate 845.14
    n-octane 245.99
    formamide 340.29
    cyclopentanone 6587.2
    2-pentanone 2549.25
    anisole 1619.44
    cyclopentyl methyl ether 3196.62
    gamma-butyrolactone 4905.59
    1-methoxy-2-propanol 1241.1
    pyridine 4711.56
    3-pentanone 2094.02
    furfural 4583.18
    n-dodecane 158.78
    diethylene glycol 782.25
    diisopropyl ether 727.26
    tert-amyl alcohol 873.65
    acetylacetone 3306.11
    n-hexadecane 190.98
    acetophenone 1596.79
    methyl propionate 1549.69
    isopentyl acetate 1972.12
    trichloroethylene 5814.01
    n-nonanol 523.71
    cyclohexanol 1741.23
    benzyl alcohol 935.58
    2-ethylhexanol 838.04
    isooctanol 392.08
    dipropyl ether 1761.33
    1,2-dichlorobenzene 2278.52
    ethyl lactate 458.45
    propylene carbonate 2504.87
    n-methylformamide 1350.83
    2-pentanol 669.38
    n-pentane 372.26
    1-propoxy-2-propanol 1391.43
    1-methoxy-2-propyl acetate 1915.99
    2-(2-methoxypropoxy) propanol 844.46
    mesitylene 986.04
    ε-caprolactone 3746.13
    p-cymene 808.08
    epichlorohydrin 3932.27
    1,1,1-trichloroethane 3786.92
    2-aminoethanol 289.95
    morpholine-4-carbaldehyde 4423.58
    sulfolane 6182.85
    2,2,4-trimethylpentane 164.79
    2-methyltetrahydrofuran 4232.2
    n-hexyl acetate 1618.46
    isooctane 172.17
    2-(2-butoxyethoxy)ethanol 1121.12
    sec-butyl acetate 907.69
    tert-butyl acetate 1758.43
    decalin 429.49
    glycerin 352.64
    diglyme 2564.58
    acrylic acid 772.29
    isopropyl myristate 774.77
    n-butyric acid 1486.01
    acetyl acetate 1470.71
    di(2-ethylhexyl) phthalate 567.28
    ethyl propionate 1108.17
    nitromethane 2709.54
    1,2-diethoxyethane 2049.05
    benzonitrile 2329.64
    trioctyl phosphate 464.41
    1-bromopropane 1872.56
    gamma-valerolactone 6732.35
    n-decanol 410.79
    triethyl phosphate 711.12
    4-methyl-2-pentanol 399.43
    propionitrile 1342.12
    vinylene carbonate 2311.3
    1,1,2-trichlorotrifluoroethane 2082.44
    DMS 1257.52
    cumene 504.34
    2-octanol 417.26
    2-hexanone 1583.33
    octyl acetate 861.31
    limonene 1486.64
    1,2-dimethoxyethane 2504.94
    ethyl orthosilicate 698.96
    tributyl phosphate 629.23
    diacetone alcohol 1409.14
    N,N-dimethylaniline 1066.76
    acrylonitrile 1733.56
    aniline 1732.05
    1,3-propanediol 567.11
    bromobenzene 3571.56
    dibromomethane 2822.34
    1,1,2,2-tetrachloroethane 4134.52
    2-methyl-cyclohexyl acetate 1297.96
    tetrabutyl urea 959.22
    diisobutyl methanol 650.34
    2-phenylethanol 1078.56
    styrene 1358.91
    dioctyl adipate 978.29
    dimethyl sulfate 1425.51
    ethyl butyrate 1698.03
    methyl lactate 622.19
    butyl lactate 815.1
    diethyl carbonate 1019.5
    propanediol butyl ether 740.15
    triethyl orthoformate 1196.58
    p-tert-butyltoluene 832.65
    methyl 4-tert-butylbenzoate 1135.98
    morpholine 3971.79
    tert-butylamine 745.25
    n-dodecanol 350.45
    dimethoxymethane 2389.22
    ethylene carbonate 1984.29
    cyrene 1004.04
    2-ethoxyethyl acetate 1523.19
    2-ethylhexyl acetate 1745.73
    1,2,4-trichlorobenzene 2406.73
    4-methylpyridine 4753.43
    dibutyl ether 1472.07
    2,6-dimethyl-4-heptanol 650.34
    DEF 2680.85
    dimethyl isosorbide 2146.92
    tetrachloroethylene 2559.01
    eugenol 896.85
    triacetin 1310.16
    span 80 1003.17
    1,4-butanediol 245.44
    1,1-dichloroethane 2886.88
    2-methyl-1-pentanol 493.13
    methyl formate 1259.56
    2-methyl-1-butanol 671.99
    n-decane 272.37
    butyronitrile 1715.35
    3,7-dimethyl-1-octanol 680.22
    1-chlorooctane 776.8
    1-chlorotetradecane 358.73
    n-nonane 307.46
    undecane 199.26
    tert-butylcyclohexane 316.08
    cyclooctane 598.27
    cyclopentanol 1608.19
    tetrahydropyran 5000.36
    tert-amyl methyl ether 1188.29
    2,5,8-trioxanonane 1702.61
    1-hexene 860.99
    2-isopropoxyethanol 613.68
    2,2,2-trifluoroethanol 359.3
    methyl butyrate 1644.61

    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