3-Methyl-1,2,4-trithiolane

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  • Identifiers

    CAS number
    51647-38-2

    Molecular formula
    C3H6S3

    SMILES
    CC1SCSS1

  • Odor profile

    Sulfurous 82.2%
    Meaty 62.13%
    Onion 52.11%
    Roasted 47.35%
    Garlic 45.92%
    Alliaceous 42.06%
    Cooked 37.59%
    Savory 36.56%
    Beefy 34.66%
    Mushroom 29.41%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    2.78 (strong acid)

    Molecular weight
    138.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    224°C

    Flash point est.
    84.44 ˚C

  • Synonyms

    • 3-methyl-1,2,4-trithiolane
    • UNII-JSM343XRB6
    • 1,2,4-Trithiolane, 3-methyl-
    • JSM343XRB6
    • 51647-38-2
    • DTXSID401019826
    • 5-(1-Hexynyl)-2-furoic acid
    • DTXCID201477707
    • NS00124540
    • Q27281670

  • Applications

    3-Methyl-1,2,4-trithiolane (CAS 51647-38-2) is a potent sulfur heterocycle with an extremely low odor threshold, used primarily in flavor creation to deliver and reinforce roasted‑meaty, chicken‑broth, onion‑garlic, and smoky stock notes in seasonings, bouillons, snacks, instant noodles, sauces, and especially plant‑based meat analogs; it is typically dosed at trace levels in thermal/process flavors or via microencapsulation for stability and controlled release, and combined with umami builders to deepen savory impact; it also serves as a GC‑MS reference standard and a model aroma in Maillard/Allium studies and aroma recombination/omission tests, and is occasionally used at ultra‑low levels in fine fragrance for gourmand‑smoky/leathery‑truffle nuances; handle in dilution, store airtight away from heat, light, and oxidation, and use only within applicable flavor regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 118.1
    methanol 123.61
    isopropanol 96.31
    water 3.34
    ethyl acetate 311.95
    n-propanol 109.04
    acetone 337.21
    n-butanol 114.08
    acetonitrile 234.84
    DMF 405.32
    toluene 236.32
    isobutanol 81.02
    1,4-dioxane 576.26
    methyl acetate 337.71
    THF 516.5
    2-butanone 300.32
    n-pentanol 93.4
    sec-butanol 105.35
    n-hexane 11.6
    ethylene glycol 57.15
    NMP 412.16
    cyclohexane 36.73
    DMSO 326.26
    n-butyl acetate 236.34
    n-octanol 106.12
    chloroform 838.24
    n-propyl acetate 202.88
    acetic acid 227.27
    dichloromethane 537.63
    cyclohexanone 405.51
    propylene glycol 75.79
    isopropyl acetate 218.99
    DMAc 423.54
    2-ethoxyethanol 238.42
    isopentanol 103.32
    n-heptane 28.69
    ethyl formate 208.16
    1,2-dichloroethane 292.21
    n-hexanol 121.06
    2-methoxyethanol 312.06
    isobutyl acetate 145.41
    tetrachloromethane 193.28
    n-pentyl acetate 181.98
    transcutol 759.18
    n-heptanol 111.76
    ethylbenzene 106.7
    MIBK 178.91
    2-propoxyethanol 276.13
    tert-butanol 136.89
    MTBE 173.48
    2-butoxyethanol 222.0
    propionic acid 177.38
    o-xylene 164.51
    formic acid 93.06
    diethyl ether 198.78
    m-xylene 167.62
    p-xylene 148.13
    chlorobenzene 351.26
    dimethyl carbonate 184.68
    n-octane 14.23
    formamide 175.38
    cyclopentanone 491.97
    2-pentanone 249.57
    anisole 328.63
    cyclopentyl methyl ether 265.43
    gamma-butyrolactone 521.5
    1-methoxy-2-propanol 265.48
    pyridine 473.14
    3-pentanone 225.06
    furfural 691.04
    n-dodecane 14.63
    diethylene glycol 212.37
    diisopropyl ether 91.84
    tert-amyl alcohol 135.58
    acetylacetone 410.1
    n-hexadecane 17.16
    acetophenone 315.03
    methyl propionate 252.71
    isopentyl acetate 200.73
    trichloroethylene 797.53
    n-nonanol 103.28
    cyclohexanol 137.65
    benzyl alcohol 206.74
    2-ethylhexanol 105.37
    isooctanol 94.28
    dipropyl ether 142.25
    1,2-dichlorobenzene 368.79
    ethyl lactate 117.41
    propylene carbonate 340.52
    n-methylformamide 217.38
    2-pentanol 99.3
    n-pentane 18.05
    1-propoxy-2-propanol 236.92
    1-methoxy-2-propyl acetate 308.93
    2-(2-methoxypropoxy) propanol 244.73
    mesitylene 112.02
    ε-caprolactone 370.85
    p-cymene 103.47
    epichlorohydrin 506.63
    1,1,1-trichloroethane 465.61
    2-aminoethanol 96.58
    morpholine-4-carbaldehyde 593.3
    sulfolane 501.04
    2,2,4-trimethylpentane 17.61
    2-methyltetrahydrofuran 338.7
    n-hexyl acetate 208.56
    isooctane 16.27
    2-(2-butoxyethoxy)ethanol 311.75
    sec-butyl acetate 159.95
    tert-butyl acetate 257.99
    decalin 26.19
    glycerin 126.39
    diglyme 594.72
    acrylic acid 183.81
    isopropyl myristate 110.28
    n-butyric acid 231.93
    acetyl acetate 321.62
    di(2-ethylhexyl) phthalate 103.07
    ethyl propionate 182.57
    nitromethane 526.97
    1,2-diethoxyethane 321.61
    benzonitrile 308.01
    trioctyl phosphate 73.06
    1-bromopropane 139.26
    gamma-valerolactone 674.57
    n-decanol 78.68
    triethyl phosphate 118.33
    4-methyl-2-pentanol 81.5
    propionitrile 184.46
    vinylene carbonate 393.94
    1,1,2-trichlorotrifluoroethane 488.9
    DMS 213.35
    cumene 77.84
    2-octanol 81.06
    2-hexanone 193.2
    octyl acetate 127.49
    limonene 132.38
    1,2-dimethoxyethane 394.3
    ethyl orthosilicate 116.19
    tributyl phosphate 87.26
    diacetone alcohol 249.12
    N,N-dimethylaniline 194.97
    acrylonitrile 259.69
    aniline 259.66
    1,3-propanediol 139.55
    bromobenzene 382.34
    dibromomethane 329.1
    1,1,2,2-tetrachloroethane 582.62
    2-methyl-cyclohexyl acetate 181.19
    tetrabutyl urea 109.25
    diisobutyl methanol 85.02
    2-phenylethanol 215.45
    styrene 150.45
    dioctyl adipate 154.16
    dimethyl sulfate 288.72
    ethyl butyrate 202.18
    methyl lactate 154.61
    butyl lactate 148.8
    diethyl carbonate 155.48
    propanediol butyl ether 188.79
    triethyl orthoformate 177.26
    p-tert-butyltoluene 107.67
    methyl 4-tert-butylbenzoate 243.85
    morpholine 469.89
    tert-butylamine 85.58
    n-dodecanol 63.18
    dimethoxymethane 324.18
    ethylene carbonate 300.17
    cyrene 275.65
    2-ethoxyethyl acetate 298.69
    2-ethylhexyl acetate 175.11
    1,2,4-trichlorobenzene 437.12
    4-methylpyridine 425.19
    dibutyl ether 133.6
    2,6-dimethyl-4-heptanol 85.02
    DEF 274.51
    dimethyl isosorbide 439.87
    tetrachloroethylene 412.31
    eugenol 248.57
    triacetin 298.71
    span 80 215.72
    1,4-butanediol 68.96
    1,1-dichloroethane 331.87
    2-methyl-1-pentanol 92.91
    methyl formate 199.59
    2-methyl-1-butanol 94.7
    n-decane 22.43
    butyronitrile 173.34
    3,7-dimethyl-1-octanol 108.72
    1-chlorooctane 81.91
    1-chlorotetradecane 40.91
    n-nonane 20.19
    undecane 17.42
    tert-butylcyclohexane 24.07
    cyclooctane 19.71
    cyclopentanol 144.62
    tetrahydropyran 343.09
    tert-amyl methyl ether 150.42
    2,5,8-trioxanonane 444.24
    1-hexene 42.32
    2-isopropoxyethanol 186.5
    2,2,2-trifluoroethanol 167.65
    methyl butyrate 217.5

    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 0.21%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 0.86%