Diethyl trisulfide

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  • Identifiers

    CAS number
    3600-24-6

    Molecular formula
    C4H10S3

    SMILES
    CCSSSCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 88.88%
    Onion 84.71%
    Garlic 80.13%
    Alliaceous 75.59%
    Savory 56.43%
    Cooked 50.33%
    Roasted 48.78%
    Green 46.85%
    Vegetable 45.45%
    Meaty 45.01%

     

    Flavor
    Onion 80.54%
    Garlic 73.34%
    Sulfurous 66.79%
    Green 53.74%
    Alliaceous 46.95%
    Cabbage 40.24%
    Sulfury 38.19%
    Meaty 35.56%
    Metallic 35.03%
    Cooked 32.69%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    3.62 (weak acid)

    Molecular weight
    154.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 217.00 °C. @ 760.00 mm Hg

    Flash point

    • 82.58 ˚C est.

    Solubility expt.

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

  • Synonyms

    • Diethyl trisulfide
    • 3,4,5-trithiaheptane
    • 3600-24-6
    • Trisulfide, diethyl
    • Ethyl trisulfide
    • Diethyl trisulphide
    • (ethyltrisulfanyl)ethane
    • DIETHYLTRISULFANE
    • UNII-0JO6C5I84O
    • NSC 97329
    • 0JO6C5I84O
    • 1,3-Diethyltrisulfane
    • Ethyl trisulfide, 8CI
    • EINECS 222-754-1
    • NSC-97329
    • DTXSID3063097
    • FEMA NO. 4029
    • DIETHYL TRISULFIDE [FHFI]
    • FEMA NO. 4042, DIETHYL-
    • Diethyltrisulphane
    • MFCD00039906
    • (ethyltrisulanyl)ethane
    • 1,3-Diethyltrisulfane #
    • 1-ETHYLTRISULFANYLETHANE
    • SCHEMBL1358709
    • DTXCID2039128
    • 1- ETHYLTRISULFANYLETHANE
    • CHEBI:167087
    • NSC97329
    • AKOS006271481
    • D5749
    • NS00046983
    • G77546
    • EN300-7577184
    • Q16070571

  • Applications

    Diethyl trisulfide (3600-24-6) is primarily used as an odorant in fragrance, providing sulfurous notes for perfumes and related products; it is also evaluated for potential use as a flavor aroma in formulation development. In cosmetics and personal care, it may serve as a fragrance ingredient or contribute to scent profiles in products such as soaps and moisturizers. In household and cleaning products, it may be included as a fragrance component to impart a distinctive odor in air fresheners and cleaners. In industrial manufacturing, it can function as a sulfur-containing intermediate for the synthesis of other sulfur compounds. In polymers and plastics, it may be explored as a precursor or additive to polymer systems that contain sulfur.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 145.77
    methanol 112.64
    isopropanol 161.74
    water 0.15
    ethyl acetate 674.73
    n-propanol 159.84
    acetone 1177.55
    n-butanol 175.17
    acetonitrile 447.51
    DMF 2116.6
    toluene 789.79
    isobutanol 146.71
    1,4-dioxane 1453.35
    methyl acetate 681.41
    THF 2400.76
    2-butanone 852.27
    n-pentanol 124.88
    sec-butanol 153.42
    n-hexane 109.03
    ethylene glycol 43.64
    NMP 2782.5
    cyclohexane 507.2
    DMSO 1425.25
    n-butyl acetate 987.64
    n-octanol 216.24
    chloroform 1837.75
    n-propyl acetate 484.92
    acetic acid 282.63
    dichloromethane 1732.19
    cyclohexanone 2414.42
    propylene glycol 61.97
    isopropyl acetate 516.54
    DMAc 1398.0
    2-ethoxyethanol 207.92
    isopentanol 159.35
    n-heptane 266.32
    ethyl formate 488.18
    1,2-dichloroethane 1179.89
    n-hexanol 241.76
    2-methoxyethanol 373.92
    isobutyl acetate 363.71
    tetrachloromethane 525.52
    n-pentyl acetate 578.13
    transcutol 701.89
    n-heptanol 160.49
    ethylbenzene 357.54
    MIBK 483.82
    2-propoxyethanol 398.63
    tert-butanol 262.65
    MTBE 439.57
    2-butoxyethanol 247.71
    propionic acid 264.65
    o-xylene 529.81
    formic acid 43.11
    diethyl ether 472.25
    m-xylene 535.21
    p-xylene 538.64
    chlorobenzene 1193.27
    dimethyl carbonate 403.91
    n-octane 122.96
    formamide 115.89
    cyclopentanone 2959.05
    2-pentanone 777.43
    anisole 654.06
    cyclopentyl methyl ether 1132.61
    gamma-butyrolactone 2505.84
    1-methoxy-2-propanol 314.78
    pyridine 1492.94
    3-pentanone 763.42
    furfural 2220.89
    n-dodecane 90.23
    diethylene glycol 244.17
    diisopropyl ether 250.46
    tert-amyl alcohol 212.26
    acetylacetone 1299.38
    n-hexadecane 110.96
    acetophenone 769.64
    methyl propionate 603.01
    isopentyl acetate 769.76
    trichloroethylene 2489.75
    n-nonanol 204.88
    cyclohexanol 437.51
    benzyl alcohol 335.53
    2-ethylhexanol 274.28
    isooctanol 143.49
    dipropyl ether 668.61
    1,2-dichlorobenzene 1253.31
    ethyl lactate 201.38
    propylene carbonate 1363.3
    n-methylformamide 492.62
    2-pentanol 147.79
    n-pentane 106.75
    1-propoxy-2-propanol 431.38
    1-methoxy-2-propyl acetate 794.36
    2-(2-methoxypropoxy) propanol 341.94
    mesitylene 447.95
    ε-caprolactone 1569.99
    p-cymene 420.77
    epichlorohydrin 1662.75
    1,1,1-trichloroethane 1600.69
    2-aminoethanol 72.36
    morpholine-4-carbaldehyde 2010.4
    sulfolane 3181.53
    2,2,4-trimethylpentane 63.54
    2-methyltetrahydrofuran 1486.9
    n-hexyl acetate 688.95
    isooctane 64.87
    2-(2-butoxyethoxy)ethanol 369.79
    sec-butyl acetate 359.93
    tert-butyl acetate 686.35
    decalin 190.39
    glycerin 95.3
    diglyme 967.12
    acrylic acid 284.31
    isopropyl myristate 383.7
    n-butyric acid 416.74
    acetyl acetate 639.18
    di(2-ethylhexyl) phthalate 279.62
    ethyl propionate 487.93
    nitromethane 889.34
    1,2-diethoxyethane 684.66
    benzonitrile 902.31
    trioctyl phosphate 226.92
    1-bromopropane 634.24
    gamma-valerolactone 2755.5
    n-decanol 167.35
    triethyl phosphate 428.8
    4-methyl-2-pentanol 107.26
    propionitrile 414.55
    vinylene carbonate 1319.05
    1,1,2-trichlorotrifluoroethane 953.83
    DMS 692.82
    cumene 240.31
    2-octanol 161.63
    2-hexanone 548.0
    octyl acetate 414.11
    limonene 689.47
    1,2-dimethoxyethane 838.93
    ethyl orthosilicate 390.36
    tributyl phosphate 314.01
    diacetone alcohol 478.83
    N,N-dimethylaniline 495.57
    acrylonitrile 584.73
    aniline 503.19
    1,3-propanediol 129.49
    bromobenzene 1502.26
    dibromomethane 1169.91
    1,1,2,2-tetrachloroethane 1788.37
    2-methyl-cyclohexyl acetate 643.41
    tetrabutyl urea 510.69
    diisobutyl methanol 264.04
    2-phenylethanol 416.0
    styrene 529.4
    dioctyl adipate 514.88
    dimethyl sulfate 811.79
    ethyl butyrate 803.94
    methyl lactate 254.31
    butyl lactate 332.27
    diethyl carbonate 536.11
    propanediol butyl ether 218.14
    triethyl orthoformate 585.44
    p-tert-butyltoluene 431.91
    methyl 4-tert-butylbenzoate 604.74
    morpholine 1165.41
    tert-butylamine 178.06
    n-dodecanol 147.93
    dimethoxymethane 873.91
    ethylene carbonate 1026.63
    cyrene 544.22
    2-ethoxyethyl acetate 630.12
    2-ethylhexyl acetate 750.79
    1,2,4-trichlorobenzene 1375.11
    4-methylpyridine 1533.65
    dibutyl ether 580.45
    2,6-dimethyl-4-heptanol 264.04
    DEF 1018.62
    dimethyl isosorbide 1100.02
    tetrachloroethylene 1151.21
    eugenol 447.5
    triacetin 657.13
    span 80 381.61
    1,4-butanediol 68.04
    1,1-dichloroethane 1025.03
    2-methyl-1-pentanol 123.01
    methyl formate 518.57
    2-methyl-1-butanol 145.92
    n-decane 142.65
    butyronitrile 472.09
    3,7-dimethyl-1-octanol 253.8
    1-chlorooctane 357.55
    1-chlorotetradecane 185.82
    n-nonane 154.94
    undecane 108.92
    tert-butylcyclohexane 144.84
    cyclooctane 227.01
    cyclopentanol 528.69
    tetrahydropyran 1372.88
    tert-amyl methyl ether 377.36
    2,5,8-trioxanonane 689.33
    1-hexene 231.93
    2-isopropoxyethanol 179.5
    2,2,2-trifluoroethanol 142.41
    methyl butyrate 672.95

    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