Dimethyl trithiocarbonate

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  • Identifiers

    CAS number
    2314-48-9

    Molecular formula
    C3H6S3

    SMILES
    CSC(=S)SC

  • Odor profile

    Fragrance
    Sulfurous 78.59%
    Onion 71.17%
    Garlic 68.72%
    Alliaceous 57.33%
    Pungent 46.81%
    Cooked 42.65%
    Savory 40.05%
    Roasted 39.61%
    Cabbage 39.54%
    Vegetable 37.89%

     

    Flavor
    Sulfurous 65.5%
    Garlic 64.4%
    Onion 62.86%
    Alliaceous 49.46%
    Cabbage 44.35%
    Sulfur 43.17%
    Meaty 34.79%
    Sulfury 34.72%
    Mustard 33.69%
    Cooked 33.23%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.91 (neutral)

    Molecular weight
    138.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    258°C

    Flash point

    • 82.21 ˚C est.

  • Synonyms

    • Dimethyl trithiocarbonate
    • 2314-48-9
    • Carbonotrithioic acid, dimethyl ester
    • Trithiocarbonic acid dimethyl ester
    • dimethyl carbonotrithioate
    • bis(methylsulfanyl)methanethione
    • CARBONIC ACID, TRITHIO-, DIMETHYL ESTER
    • Dimethylester kyseliny trithiouhlicite
    • BRN 1421113
    • Dimethylester kyseliny trithiouhlicite [Czech]
    • (CH3S)2CS
    • DTXSID90177710
    • 4-03-00-00428 (Beilstein Handbook Reference)
    • Dimethyltrithiocarbonate
    • starbld0016586
    • SCHEMBL256003
    • Dimethyl trithiocarbonate, 98%
    • bis(methylsulfanyl)-methanethione
    • DTXCID50100201
    • AKOS015898867
    • DB-046087
    • Carbonotrithioic acid, dimethyl ester (9CI)
    • H27765

  • Applications

    Dimethyl trithiocarbonate (CAS 2314-48-9) is primarily used as a precursor to thiocarbonylthio chain transfer agents for RAFT polymerization, enabling controlled/living radical polymerization to tailor polymer molecular weights and architectures. Typical applications include polymer formulations for coatings and paints, inks and printing materials, adhesives and sealants, and specialty polymers used in electronics and advanced plastics. It serves as an intermediate in the synthesis of RAFT agents bearing trithiocarbonate functionality and as a reagent in polymer chemistry R&D to access block, graft, or copolymer structures. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 70.12
    methanol 95.08
    isopropanol 46.81
    water 0.94
    ethyl acetate 126.52
    n-propanol 55.46
    acetone 225.56
    n-butanol 51.24
    acetonitrile 108.2
    DMF 437.14
    toluene 85.79
    isobutanol 36.85
    1,4-dioxane 347.46
    methyl acetate 138.31
    THF 477.03
    2-butanone 148.52
    n-pentanol 40.51
    sec-butanol 40.23
    n-hexane 15.1
    ethylene glycol 31.01
    NMP 597.65
    cyclohexane 33.2
    DMSO 426.3
    n-butyl acetate 128.0
    n-octanol 39.29
    chloroform 276.73
    n-propyl acetate 91.18
    acetic acid 115.41
    dichloromethane 243.65
    cyclohexanone 295.08
    propylene glycol 26.63
    isopropyl acetate 86.59
    DMAc 305.06
    2-ethoxyethanol 111.69
    isopentanol 39.79
    n-heptane 25.73
    ethyl formate 101.26
    1,2-dichloroethane 174.03
    n-hexanol 58.2
    2-methoxyethanol 179.71
    isobutyl acetate 62.22
    tetrachloromethane 82.44
    n-pentyl acetate 100.53
    transcutol 254.7
    n-heptanol 42.17
    ethylbenzene 46.92
    MIBK 81.96
    2-propoxyethanol 144.48
    tert-butanol 62.92
    MTBE 79.07
    2-butoxyethanol 95.56
    propionic acid 77.85
    o-xylene 65.4
    formic acid 55.31
    diethyl ether 111.31
    m-xylene 59.75
    p-xylene 60.13
    chlorobenzene 160.86
    dimethyl carbonate 79.09
    n-octane 12.71
    formamide 104.73
    cyclopentanone 420.48
    2-pentanone 128.93
    anisole 141.42
    cyclopentyl methyl ether 181.87
    gamma-butyrolactone 405.44
    1-methoxy-2-propanol 126.62
    pyridine 234.39
    3-pentanone 117.78
    furfural 436.29
    n-dodecane 9.54
    diethylene glycol 120.64
    diisopropyl ether 44.86
    tert-amyl alcohol 53.34
    acetylacetone 219.21
    n-hexadecane 11.2
    acetophenone 140.01
    methyl propionate 116.42
    isopentyl acetate 109.66
    trichloroethylene 331.69
    n-nonanol 42.0
    cyclohexanol 69.03
    benzyl alcohol 83.74
    2-ethylhexanol 52.33
    isooctanol 36.7
    dipropyl ether 102.39
    1,2-dichlorobenzene 172.78
    ethyl lactate 51.37
    propylene carbonate 193.5
    n-methylformamide 156.32
    2-pentanol 36.03
    n-pentane 15.95
    1-propoxy-2-propanol 115.67
    1-methoxy-2-propyl acetate 152.28
    2-(2-methoxypropoxy) propanol 111.19
    mesitylene 46.12
    ε-caprolactone 220.12
    p-cymene 53.48
    epichlorohydrin 340.76
    1,1,1-trichloroethane 191.96
    2-aminoethanol 48.71
    morpholine-4-carbaldehyde 489.79
    sulfolane 608.12
    2,2,4-trimethylpentane 9.54
    2-methyltetrahydrofuran 256.2
    n-hexyl acetate 105.12
    isooctane 7.97
    2-(2-butoxyethoxy)ethanol 137.34
    sec-butyl acetate 66.49
    tert-butyl acetate 115.26
    decalin 20.27
    glycerin 57.07
    diglyme 279.32
    acrylic acid 93.45
    isopropyl myristate 65.59
    n-butyric acid 92.65
    acetyl acetate 112.38
    di(2-ethylhexyl) phthalate 61.77
    ethyl propionate 84.97
    nitromethane 295.58
    1,2-diethoxyethane 155.36
    benzonitrile 129.44
    trioctyl phosphate 43.12
    1-bromopropane 89.99
    gamma-valerolactone 525.77
    n-decanol 34.96
    triethyl phosphate 74.22
    4-methyl-2-pentanol 24.92
    propionitrile 76.47
    vinylene carbonate 197.51
    1,1,2-trichlorotrifluoroethane 241.77
    DMS 113.3
    cumene 36.4
    2-octanol 31.56
    2-hexanone 97.68
    octyl acetate 74.95
    limonene 78.35
    1,2-dimethoxyethane 228.01
    ethyl orthosilicate 70.56
    tributyl phosphate 54.26
    diacetone alcohol 112.77
    N,N-dimethylaniline 102.62
    acrylonitrile 109.39
    aniline 96.25
    1,3-propanediol 64.6
    bromobenzene 175.65
    dibromomethane 162.59
    1,1,2,2-tetrachloroethane 245.99
    2-methyl-cyclohexyl acetate 107.9
    tetrabutyl urea 83.05
    diisobutyl methanol 42.51
    2-phenylethanol 97.43
    styrene 69.06
    dioctyl adipate 93.72
    dimethyl sulfate 175.86
    ethyl butyrate 111.77
    methyl lactate 69.73
    butyl lactate 67.79
    diethyl carbonate 80.76
    propanediol butyl ether 65.15
    triethyl orthoformate 92.2
    p-tert-butyltoluene 57.51
    methyl 4-tert-butylbenzoate 133.44
    morpholine 284.67
    tert-butylamine 42.49
    n-dodecanol 30.47
    dimethoxymethane 219.52
    ethylene carbonate 149.25
    cyrene 155.84
    2-ethoxyethyl acetate 146.59
    2-ethylhexyl acetate 101.45
    1,2,4-trichlorobenzene 204.91
    4-methylpyridine 207.17
    dibutyl ether 73.29
    2,6-dimethyl-4-heptanol 42.51
    DEF 178.17
    dimethyl isosorbide 271.33
    tetrachloroethylene 187.62
    eugenol 129.27
    triacetin 125.72
    span 80 108.57
    1,4-butanediol 32.51
    1,1-dichloroethane 140.93
    2-methyl-1-pentanol 35.62
    methyl formate 146.49
    2-methyl-1-butanol 37.97
    n-decane 14.62
    butyronitrile 78.29
    3,7-dimethyl-1-octanol 43.92
    1-chlorooctane 45.77
    1-chlorotetradecane 25.58
    n-nonane 14.01
    undecane 11.3
    tert-butylcyclohexane 17.26
    cyclooctane 16.01
    cyclopentanol 98.29
    tetrahydropyran 207.32
    tert-amyl methyl ether 74.19
    2,5,8-trioxanonane 226.93
    1-hexene 35.72
    2-isopropoxyethanol 78.69
    2,2,2-trifluoroethanol 70.6
    methyl butyrate 103.82

    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