bis(METHYLTHIO)METHANE

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  • Identifiers

    CAS number
    1618-26-4

    Molecular formula
    C3H8S2

    SMILES
    CSCSC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Sulfurous 81.75%
    Onion 71.97%
    Garlic 70.37%
    Vegetable 63.35%
    Alliaceous 62.27%
    Green 52.63%
    Meaty 52.37%
    Cooked 52.06%
    Cabbage 51.77%
    Pungent 50.28%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    6.4 (neutral)

    Molecular weight
    108.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 147.00 to 148.00 °C. @ 760.00 mm Hg

    Flash point est.
    40.1 ˚C

    Solubility expt.

    • very slightly
    • very slightly soluble in water; soluble in alcohols and oils

  • Synonyms

    • Bis(methylthio)methane
    • 1618-26-4
    • Bis(methylsulfanyl)methane
    • Methane, bis(methylthio)-
    • 2,4-DITHIAPENTANE
    • Bis(methylmercapto)methane
    • Formaldehyde dimethyl mercaptal
    • Methylenebis(methyl sulfide)
    • Thioformaldehyde dimethylacetal
    • Dimethylthiomethane
    • CH3SCH2SCH3
    • 2,4-dithiopentane
    • Bis[methylmercapto]methane
    • NSC 96010
    • UNII-128SGX814T
    • Thioformaldehyde dimethylthioacetal
    • 128SGX814T
    • EINECS 216-577-9
    • NSC-96010
    • Methylenebis[methyl sulfide]
    • DTXSID0061822
    • FEMA NO. 3878
    • LOCDPORVFVOGCR-UHFFFAOYSA-
    • BIS(METHYLTHIO)METHANE [MI]
    • BIS-(METHYLTHIO)METHANE [FHFI]
    • bis-(Methylthio)methane
    • C3H8S2
    • MFCD00008564
    • Bis(methylthio)methan
    • 2, 4-Dithiapentane
    • Bismethylmercaptomethane
    • Bis(methylthio)-Methane
    • bis(methylsulanyl)methane
    • bis-(methylsulfanyl)-methane
    • Bis(methyl mercapto) methane
    • Formaldehyde dimethylmercaptal
    • Bis(methylthio)methane, 99%
    • SCHEMBL570237
    • Thioformaldehyde dimethyl acetal
    • DTXCID4035203
    • CHEBI:167064
    • NSC96010
    • Bis(methylthio)methane, >=99%, FG
    • AKOS015897414
    • CS-W013673
    • LS-12964
    • B1204
    • NS00021721
    • D88765
    • EN300-215392
    • A810297
    • Q2567203

  • Applications

    Bis(methylthio)methane (CAS 1618-26-4) is a sulfur-containing organic compound with a characteristic garlic-onion odor that finds wide application as a flavoring agent in the food industry (imparting onion, garlic, grilled-meat notes to seasonings, instant soups, sauces), as a fragrance modifier in perfumes and personal-care products, as an intermediate for agrochemicals and sulfur pharmaceuticals, as a metal-corrosion inhibitor, a stabilizer and vulcanization accelerator for rubber, an antioxidant additive for lubricating oils, a light-stability improver for polymers, and as a convenient sulfur source for synthesizing other dimethylthio-substituted compounds in organic laboratories.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 465.3
    methanol 458.92
    isopropanol 284.14
    water 0.89
    ethyl acetate 357.95
    n-propanol 376.18
    acetone 617.88
    n-butanol 373.49
    acetonitrile 305.0
    DMF 370.54
    toluene 313.24
    isobutanol 232.29
    1,4-dioxane 898.69
    methyl acetate 310.98
    THF 1740.72
    2-butanone 452.28
    n-pentanol 222.43
    sec-butanol 267.34
    n-hexane 248.5
    ethylene glycol 78.36
    NMP 696.45
    cyclohexane 670.0
    DMSO 575.42
    n-butyl acetate 676.5
    n-octanol 197.94
    chloroform 867.77
    n-propyl acetate 247.35
    acetic acid 417.69
    dichloromethane 692.3
    cyclohexanone 1023.82
    propylene glycol 97.44
    isopropyl acetate 223.13
    DMAc 240.59
    2-ethoxyethanol 239.3
    isopentanol 228.0
    n-heptane 520.12
    ethyl formate 235.73
    1,2-dichloroethane 462.94
    n-hexanol 465.37
    2-methoxyethanol 435.64
    isobutyl acetate 166.42
    tetrachloromethane 317.09
    n-pentyl acetate 305.08
    transcutol 733.79
    n-heptanol 219.45
    ethylbenzene 133.1
    MIBK 215.24
    2-propoxyethanol 512.45
    tert-butanol 316.6
    MTBE 315.55
    2-butoxyethanol 283.04
    propionic acid 283.26
    o-xylene 176.88
    formic acid 107.1
    diethyl ether 572.28
    m-xylene 187.9
    p-xylene 160.67
    chlorobenzene 384.87
    dimethyl carbonate 90.4
    n-octane 131.92
    formamide 131.77
    cyclopentanone 1137.52
    2-pentanone 436.85
    anisole 220.78
    cyclopentyl methyl ether 773.95
    gamma-butyrolactone 933.89
    1-methoxy-2-propanol 298.06
    pyridine 632.04
    3-pentanone 339.1
    furfural 632.41
    n-dodecane 60.49
    diethylene glycol 281.85
    diisopropyl ether 180.76
    tert-amyl alcohol 253.67
    acetylacetone 365.04
    n-hexadecane 68.49
    acetophenone 197.76
    methyl propionate 246.01
    isopentyl acetate 450.05
    trichloroethylene 711.34
    n-nonanol 180.84
    cyclohexanol 525.49
    benzyl alcohol 155.87
    2-ethylhexanol 362.9
    isooctanol 166.71
    dipropyl ether 719.49
    1,2-dichlorobenzene 296.52
    ethyl lactate 96.9
    propylene carbonate 422.07
    n-methylformamide 229.01
    2-pentanol 246.15
    n-pentane 271.98
    1-propoxy-2-propanol 502.41
    1-methoxy-2-propyl acetate 374.87
    2-(2-methoxypropoxy) propanol 193.51
    mesitylene 130.65
    ε-caprolactone 649.28
    p-cymene 192.73
    epichlorohydrin 675.58
    1,1,1-trichloroethane 540.9
    2-aminoethanol 149.98
    morpholine-4-carbaldehyde 564.99
    sulfolane 900.17
    2,2,4-trimethylpentane 73.52
    2-methyltetrahydrofuran 1113.26
    n-hexyl acetate 334.64
    isooctane 62.23
    2-(2-butoxyethoxy)ethanol 304.88
    sec-butyl acetate 157.64
    tert-butyl acetate 261.21
    decalin 134.18
    glycerin 126.62
    diglyme 545.05
    acrylic acid 231.38
    isopropyl myristate 159.76
    n-butyric acid 418.99
    acetyl acetate 228.83
    di(2-ethylhexyl) phthalate 118.66
    ethyl propionate 189.36
    nitromethane 422.8
    1,2-diethoxyethane 532.89
    benzonitrile 257.84
    trioctyl phosphate 106.15
    1-bromopropane 479.79
    gamma-valerolactone 918.13
    n-decanol 139.86
    triethyl phosphate 143.16
    4-methyl-2-pentanol 121.91
    propionitrile 282.31
    vinylene carbonate 348.44
    1,1,2-trichlorotrifluoroethane 391.64
    DMS 164.25
    cumene 96.7
    2-octanol 155.29
    2-hexanone 293.4
    octyl acetate 187.01
    limonene 405.49
    1,2-dimethoxyethane 433.16
    ethyl orthosilicate 154.47
    tributyl phosphate 129.52
    diacetone alcohol 245.83
    N,N-dimethylaniline 150.33
    acrylonitrile 266.15
    aniline 295.53
    1,3-propanediol 230.86
    bromobenzene 390.97
    dibromomethane 624.93
    1,1,2,2-tetrachloroethane 591.72
    2-methyl-cyclohexyl acetate 293.35
    tetrabutyl urea 175.12
    diisobutyl methanol 229.73
    2-phenylethanol 253.71
    styrene 179.69
    dioctyl adipate 189.79
    dimethyl sulfate 127.64
    ethyl butyrate 395.4
    methyl lactate 108.97
    butyl lactate 183.44
    diethyl carbonate 194.7
    propanediol butyl ether 205.25
    triethyl orthoformate 275.41
    p-tert-butyltoluene 187.4
    methyl 4-tert-butylbenzoate 213.89
    morpholine 888.76
    tert-butylamine 252.24
    n-dodecanol 117.56
    dimethoxymethane 328.46
    ethylene carbonate 319.33
    cyrene 193.15
    2-ethoxyethyl acetate 294.72
    2-ethylhexyl acetate 412.04
    1,2,4-trichlorobenzene 323.26
    4-methylpyridine 488.49
    dibutyl ether 414.27
    2,6-dimethyl-4-heptanol 229.73
    DEF 349.86
    dimethyl isosorbide 423.27
    tetrachloroethylene 489.81
    eugenol 185.95
    triacetin 224.84
    span 80 260.3
    1,4-butanediol 85.71
    1,1-dichloroethane 469.01
    2-methyl-1-pentanol 152.97
    methyl formate 183.33
    2-methyl-1-butanol 227.86
    n-decane 110.1
    butyronitrile 341.7
    3,7-dimethyl-1-octanol 191.55
    1-chlorooctane 226.75
    1-chlorotetradecane 99.44
    n-nonane 130.73
    undecane 76.68
    tert-butylcyclohexane 106.47
    cyclooctane 225.81
    cyclopentanol 584.19
    tetrahydropyran 1240.46
    tert-amyl methyl ether 261.27
    2,5,8-trioxanonane 370.49
    1-hexene 351.21
    2-isopropoxyethanol 175.59
    2,2,2-trifluoroethanol 132.91
    methyl butyrate 248.18

    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
Truffle, white (Italy) Tuber magnatum Pico, fam. Ascomycetae 75.0%