Dimethyl trisulfide

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  • Identifiers

    CAS number
    3658-80-8

    Molecular formula
    C2H6S3

    SMILES
    CSSSC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 974.0
    • Carbowax: 1388.0

  • Odor profile

    Sulfurous 88.13%
    Onion 84.42%
    Garlic 79.35%
    Alliaceous 68.97%
    Cooked 54.5%
    Savory 53.69%
    Vegetable 52.64%
    Meaty 47.66%
    Pungent 47.6%
    Cabbage 46.15%

    Scent© AI

  • Properties

    XLogP3-AA
    1.3

    Molecular weight
    126.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    178°C

    Melting point expt.

    • -85 °C

    Flash point est.
    61.83 ˚C

    Solubility expt.

    • very slightly soluble in water; soluble in alcohols, propylene glycol and oils

  • Synonyms

    • Dimethyl trisulfide
    • 3658-80-8
    • Trisulfide, dimethyl
    • Methyl trisulfide
    • Dimethyl trisulphide
    • 2,3,4-Trithiapentane
    • (methyltrisulfanyl)methane
    • DIMETHYLTRISULFIDE
    • dimethyltrisulfane
    • FEMA No. 3275
    • DMTS
    • trisulfane, dimethyl-
    • 3E691T3NL1
    • CH3SSSCH3
    • EINECS 222-910-9
    • NSC 97324
    • NSC-97324
    • AI3-26172
    • DTXSID9063118
    • DIMETHYL TRISULFIDE [FHFI]
    • 2,3,4-Trithiapentane; NSC 97324
    • UNII-3E691T3NL1
    • Dimethyl trisufide
    • 2,4-Trithiapentane
    • MFCD00039808
    • Methyl trisulfide (8CI)
    • 1,3-Dimethyltrisulfane #
    • SCHEMBL446658
    • methylsulfanyldisulfanyl-methane
    • Dimethyl trisulfide (Standard)
    • CHEBI:4614
    • DTXCID2039201
    • MSK2941
    • Dimethyl trisulfide, >=98%, FG
    • NSC97324
    • NSC801680
    • s6311
    • AKOS015897465
    • HY-128454R
    • NSC-801680
    • Dimethyl trisulfide, analytical standard
    • BS-43830
    • 1,3-Dimethyltrisulfane (ACD/Name 4.0)
    • DB-003633
    • HY-128454
    • CS-0099182
    • D3418
    • NS00022106
    • C08372
    • D90187
    • Q5277321
    • FLAMMABLE LIQUID, N.O.S. (DIMETHYL TRISULPHIDE)

  • Applications

    Dimethyl trisulfide (DMTS, CAS 3658-80-8) is widely employed in flavour and fragrance formulations to reproduce pungent onion, garlic, cabbage, truffle, roasted coffee and beer notes at trace levels, serves as a potent reference standard in GC-MS sulphur profiling and as a spoilage/ageing marker in meat, dairy, wine and beer; in organic synthesis it is a convenient trisulfide donor, a sulphur source for rubber vulcanisation, and an extreme-pressure, anti-wear, corrosion-inhibiting additive in lubricants; in agriculture it acts both as an attractant and a repellent for root-feeding flies and other crop pests; in biomedical research DMTS is explored as a cyanide antidote, a slow hydrogen sulphide donor that protects tissues under hypoxic conditions, and a metabolic biomarker, making this malodorous yet multifunctional molecule a valuable tool across industrial, analytical and biological domains.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 116.95
    methanol 113.7
    isopropanol 104.41
    water 0.97
    ethyl acetate 424.84
    n-propanol 114.24
    acetone 424.86
    n-butanol 128.35
    acetonitrile 259.1
    DMF 550.13
    toluene 383.78
    isobutanol 91.97
    1,4-dioxane 846.8
    methyl acetate 343.44
    THF 1122.51
    2-butanone 347.43
    n-pentanol 96.12
    sec-butanol 110.05
    n-hexane 85.69
    ethylene glycol 33.32
    NMP 972.38
    cyclohexane 247.25
    DMSO 492.28
    n-butyl acetate 446.2
    n-octanol 129.52
    chloroform 934.25
    n-propyl acetate 254.2
    acetic acid 247.91
    dichloromethane 749.04
    cyclohexanone 837.75
    propylene glycol 43.35
    isopropyl acetate 312.88
    DMAc 471.45
    2-ethoxyethanol 195.21
    isopentanol 111.8
    n-heptane 151.71
    ethyl formate 236.04
    1,2-dichloroethane 453.65
    n-hexanol 169.95
    2-methoxyethanol 294.71
    isobutyl acetate 187.83
    tetrachloromethane 321.79
    n-pentyl acetate 302.43
    transcutol 648.13
    n-heptanol 116.11
    ethylbenzene 182.39
    MIBK 271.36
    2-propoxyethanol 315.57
    tert-butanol 167.9
    MTBE 275.36
    2-butoxyethanol 206.17
    propionic acid 173.05
    o-xylene 268.76
    formic acid 67.22
    diethyl ether 364.57
    m-xylene 287.7
    p-xylene 214.79
    chlorobenzene 518.37
    dimethyl carbonate 195.93
    n-octane 64.36
    formamide 127.72
    cyclopentanone 992.81
    2-pentanone 369.19
    anisole 399.74
    cyclopentyl methyl ether 669.87
    gamma-butyrolactone 935.08
    1-methoxy-2-propanol 262.62
    pyridine 631.51
    3-pentanone 348.74
    furfural 955.25
    n-dodecane 44.27
    diethylene glycol 190.37
    diisopropyl ether 186.06
    tert-amyl alcohol 156.81
    acetylacetone 570.78
    n-hexadecane 52.24
    acetophenone 373.54
    methyl propionate 321.15
    isopentyl acetate 365.48
    trichloroethylene 967.72
    n-nonanol 132.82
    cyclohexanol 261.57
    benzyl alcohol 200.74
    2-ethylhexanol 175.6
    isooctanol 104.28
    dipropyl ether 396.48
    1,2-dichlorobenzene 543.11
    ethyl lactate 121.03
    propylene carbonate 558.0
    n-methylformamide 220.79
    2-pentanol 116.62
    n-pentane 81.68
    1-propoxy-2-propanol 304.29
    1-methoxy-2-propyl acetate 471.92
    2-(2-methoxypropoxy) propanol 258.4
    mesitylene 229.91
    ε-caprolactone 655.88
    p-cymene 210.91
    epichlorohydrin 769.72
    1,1,1-trichloroethane 682.95
    2-aminoethanol 61.47
    morpholine-4-carbaldehyde 888.94
    sulfolane 1074.4
    2,2,4-trimethylpentane 51.34
    2-methyltetrahydrofuran 764.76
    n-hexyl acetate 346.02
    isooctane 47.09
    2-(2-butoxyethoxy)ethanol 312.7
    sec-butyl acetate 211.94
    tert-butyl acetate 428.86
    decalin 115.6
    glycerin 82.57
    diglyme 646.29
    acrylic acid 181.28
    isopropyl myristate 208.58
    n-butyric acid 261.58
    acetyl acetate 409.59
    di(2-ethylhexyl) phthalate 147.95
    ethyl propionate 258.49
    nitromethane 554.39
    1,2-diethoxyethane 465.34
    benzonitrile 346.26
    trioctyl phosphate 117.01
    1-bromopropane 301.07
    gamma-valerolactone 1085.36
    n-decanol 107.46
    triethyl phosphate 229.44
    4-methyl-2-pentanol 85.12
    propionitrile 195.32
    vinylene carbonate 527.73
    1,1,2-trichlorotrifluoroethane 526.16
    DMS 309.84
    cumene 133.88
    2-octanol 97.29
    2-hexanone 261.81
    octyl acetate 229.79
    limonene 343.73
    1,2-dimethoxyethane 473.12
    ethyl orthosilicate 221.17
    tributyl phosphate 152.5
    diacetone alcohol 315.95
    N,N-dimethylaniline 283.85
    acrylonitrile 252.98
    aniline 306.26
    1,3-propanediol 107.26
    bromobenzene 604.23
    dibromomethane 552.05
    1,1,2,2-tetrachloroethane 717.58
    2-methyl-cyclohexyl acetate 333.64
    tetrabutyl urea 209.59
    diisobutyl methanol 154.86
    2-phenylethanol 263.58
    styrene 256.99
    dioctyl adipate 249.31
    dimethyl sulfate 354.72
    ethyl butyrate 391.2
    methyl lactate 157.1
    butyl lactate 178.74
    diethyl carbonate 265.18
    propanediol butyl ether 149.16
    triethyl orthoformate 318.94
    p-tert-butyltoluene 221.72
    methyl 4-tert-butylbenzoate 371.75
    morpholine 674.79
    tert-butylamine 129.53
    n-dodecanol 94.2
    dimethoxymethane 446.91
    ethylene carbonate 437.26
    cyrene 334.03
    2-ethoxyethyl acetate 395.97
    2-ethylhexyl acetate 355.19
    1,2,4-trichlorobenzene 597.43
    4-methylpyridine 586.73
    dibutyl ether 297.39
    2,6-dimethyl-4-heptanol 154.86
    DEF 453.11
    dimethyl isosorbide 668.74
    tetrachloroethylene 557.04
    eugenol 295.09
    triacetin 367.34
    span 80 260.7
    1,4-butanediol 51.39
    1,1-dichloroethane 439.31
    2-methyl-1-pentanol 92.95
    methyl formate 222.69
    2-methyl-1-butanol 108.36
    n-decane 71.32
    butyronitrile 227.1
    3,7-dimethyl-1-octanol 151.79
    1-chlorooctane 188.73
    1-chlorotetradecane 96.18
    n-nonane 73.46
    undecane 53.42
    tert-butylcyclohexane 94.09
    cyclooctane 131.65
    cyclopentanol 276.64
    tetrahydropyran 715.81
    tert-amyl methyl ether 275.71
    2,5,8-trioxanonane 516.96
    1-hexene 144.2
    2-isopropoxyethanol 163.28
    2,2,2-trifluoroethanol 138.88
    methyl butyrate 290.36

    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
Garlic 1 8008-99-9 Allium sativum L., fam. Liliaceae 2.3%
Onion 8002-72-0 Allium cepa L., fam. Liliaceae 3.6%
Onion (shallot) 8002-72-0 Allium cepa L., Aggregatum g., fam. Liliaceae 4.8%
Onion, welsh 8002-72-0 Allium fistulosum L. var. Maichuon, fam. Liliaceae 6.14%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 1.75%
Garlic 2 8008-99-9 Allium sativum L., fam. Liliaceae 1.6%
Mustard, flowers 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.5%
Mustard, leaves & stems 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 5.5%
Mustard, root 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 0.5%
Mustard seed (China) 1 8007-40-7 Brassica juncea (L.) Czern. et Coss., fam. Brassicaceae (Crucifereae) 15.62%
Garlic (China) Allium sativum L., fam. Liliaceae 0.05%
Truffle, white (Italy) Tuber magnatum Pico, fam. Ascomycetae 0.5%
Allium macrochatum (Turkey) Allium macrochaetum Boiss. et Hausskn., fam. Liliaceae 0.23%
Nira (Brazil) Allium tuberosum Rottl., fam. Liliaceae 3.9%
Coriander fruit 5 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.01%
Carob bean extract 1 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.2%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.4%
Yuzu (Japana) 6 Citrus junos Sieb. ex Tanaka, fam. Rutaceae 0.01%
Scallion (Cuba) Allium fistulosum L., fam. Liliaceae 6.7%
Asafoetida (Pakistan) 2 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 1.1%
Asafoetida (Iran) 1 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.01%
Asafoetida headspace 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.01%