Ethylxanthate

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  • Identifiers

    CAS number
    151-01-9

    Molecular formula
    C3H6OS2

    SMILES
    CCOC(=S)S

  • Odor profile

    Fragrance
    Sulfurous 81.27%
    Meaty 50.75%
    Onion 48.11%
    Cheesy 45.76%
    Fruity 43.41%
    Roasted 43.01%
    Tropical 41.29%
    Garlic 38.42%
    Savory 35.99%
    Alliaceous 34.5%

     

    Flavor
    Pungent 38.06%
    Fruity 33.04%
    Cheese 31.95%
    Sulfury 29.35%
    Sharp 29.03%
    Sulfurous 27.91%
    Garlic 26.41%
    Rancid 24.92%
    Sour 24.84%
    Onion 24.68%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    5.49 (weak acid)

    Molecular weight
    122.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    143°C

    Melting point expt.

    • FREEZING POINT -53 °C

    Flash point

    • 37.23 ˚C est.

    Solubility expt.

    • SLIGHTLY SOL IN WATER

  • Synonyms

    • ETHYLXANTHATE
    • Ethyl xanthogenate
    • Ethyl xanthate
    • Xanthogenic acid
    • Ethylxanthic acid
    • 151-01-9
    • Xanthate
    • O-Ethyl hydrogen dithiocarbonate
    • ethoxymethanedithioic acid
    • Ethylxanthogenic acid
    • Xanthic acid, ethyl-
    • Ethoxydithioformic acid
    • O-Ethyl dithiocarbamate
    • O-Ethyl dithiocarbonate
    • Xanthogenic acid, ethyl-
    • Carbonodithioic acid, O-ethyl ester
    • Carbonic acid, dithio-, O-ethyl ester
    • HSDB 5652
    • EINECS 205-780-8
    • BRN 1740597
    • B7B55M6MK1
    • ETHYLXANTHATE [HSDB]
    • 4-03-00-00401 (Beilstein Handbook Reference)
    • UNII-B7B55M6MK1
    • Xanthogensaure
    • ethyl xanthic acid
    • cobalt ethylxanthate
    • O-ethylxanthic acid
    • Xanthic acid, ethyl
    • OEthyl dithiocarbonate
    • Xanthogenic acid, ethyl
    • O-ethyldithiocarbonic acid
    • SCHEMBL5690
    • OEthyl hydrogen dithiocarbonate
    • CHEMBL3039661
    • DTXSID3045063
    • dithiocarbonic acid o-ethyl ester
    • O-Ethyl hydrogen carbonodithioate
    • ZOOODBUHSVUZEM-UHFFFAOYSA-N
    • Carbonodithioic acid, Oethyl ester
    • Carbonic acid, dithio, Oethyl ester
    • DB-255876
    • NS00008455
    • Q27274459
    • 205-780-8

  • Applications

    Ethylxanthate (CAS 151-01-9) is primarily used as a collector in froth flotation of sulfide ores in mining (e.g., pyrite, chalcopyrite, sphalerite) to enhance mineral recovery; it also serves as a precursor for the synthesis of organosulfur compounds such as dithiocarbamates and related xanthate derivatives used in chemical manufacture; in polymer chemistry, xanthate esters function as chain-transfer agents or mediators for radical polymerization (xanthate-mediated polymerization), so ethylxanthate can act as a reagent in the preparation of polymers and sulfur-containing derivatives; in laboratory and industrial settings it may be used in reactions involving xanthate chemistry as an intermediate or starting material for other industrial sulfur-containing applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 151.32
    methanol 219.59
    isopropanol 99.71
    water 3.43
    ethyl acetate 322.06
    n-propanol 108.88
    acetone 581.79
    n-butanol 103.18
    acetonitrile 354.85
    DMF 912.43
    toluene 121.32
    isobutanol 76.06
    1,4-dioxane 630.85
    methyl acetate 338.35
    THF 648.33
    2-butanone 303.69
    n-pentanol 83.1
    sec-butanol 83.91
    n-hexane 27.36
    ethylene glycol 102.16
    NMP 813.75
    cyclohexane 48.3
    DMSO 1038.27
    n-butyl acetate 194.33
    n-octanol 67.45
    chloroform 371.15
    n-propyl acetate 186.03
    acetic acid 326.3
    dichloromethane 470.07
    cyclohexanone 363.28
    propylene glycol 62.49
    isopropyl acetate 196.88
    DMAc 693.9
    2-ethoxyethanol 281.21
    isopentanol 86.88
    n-heptane 28.66
    ethyl formate 225.48
    1,2-dichloroethane 348.85
    n-hexanol 85.71
    2-methoxyethanol 484.27
    isobutyl acetate 112.94
    tetrachloromethane 82.2
    n-pentyl acetate 124.61
    transcutol 736.79
    n-heptanol 46.17
    ethylbenzene 72.97
    MIBK 175.64
    2-propoxyethanol 292.32
    tert-butanol 145.51
    MTBE 182.44
    2-butoxyethanol 134.7
    propionic acid 135.0
    o-xylene 94.49
    formic acid 162.48
    diethyl ether 250.69
    m-xylene 101.67
    p-xylene 90.89
    chlorobenzene 191.51
    dimethyl carbonate 187.65
    n-octane 13.14
    formamide 282.88
    cyclopentanone 510.9
    2-pentanone 280.33
    anisole 260.15
    cyclopentyl methyl ether 293.81
    gamma-butyrolactone 588.55
    1-methoxy-2-propanol 303.99
    pyridine 330.2
    3-pentanone 233.48
    furfural 730.66
    n-dodecane 14.23
    diethylene glycol 311.38
    diisopropyl ether 90.73
    tert-amyl alcohol 108.67
    acetylacetone 567.43
    n-hexadecane 16.35
    acetophenone 233.65
    methyl propionate 261.38
    isopentyl acetate 166.66
    trichloroethylene 546.43
    n-nonanol 67.52
    cyclohexanol 115.3
    benzyl alcohol 147.11
    2-ethylhexanol 72.01
    isooctanol 41.37
    dipropyl ether 152.23
    1,2-dichlorobenzene 204.99
    ethyl lactate 105.17
    propylene carbonate 269.87
    n-methylformamide 363.27
    2-pentanol 71.94
    n-pentane 27.34
    1-propoxy-2-propanol 194.58
    1-methoxy-2-propyl acetate 291.7
    2-(2-methoxypropoxy) propanol 251.27
    mesitylene 80.84
    ε-caprolactone 322.57
    p-cymene 66.78
    epichlorohydrin 663.58
    1,1,1-trichloroethane 299.88
    2-aminoethanol 113.73
    morpholine-4-carbaldehyde 980.08
    sulfolane 790.99
    2,2,4-trimethylpentane 16.36
    2-methyltetrahydrofuran 393.92
    n-hexyl acetate 167.14
    isooctane 13.55
    2-(2-butoxyethoxy)ethanol 282.94
    sec-butyl acetate 129.77
    tert-butyl acetate 248.43
    decalin 30.99
    glycerin 148.19
    diglyme 582.91
    acrylic acid 167.35
    isopropyl myristate 101.06
    n-butyric acid 176.33
    acetyl acetate 303.74
    di(2-ethylhexyl) phthalate 102.88
    ethyl propionate 193.73
    nitromethane 967.71
    1,2-diethoxyethane 322.58
    benzonitrile 197.51
    trioctyl phosphate 65.54
    1-bromopropane 152.98
    gamma-valerolactone 807.05
    n-decanol 57.24
    triethyl phosphate 115.53
    4-methyl-2-pentanol 50.66
    propionitrile 178.96
    vinylene carbonate 275.08
    1,1,2-trichlorotrifluoroethane 444.73
    DMS 250.85
    cumene 59.53
    2-octanol 39.16
    2-hexanone 183.09
    octyl acetate 118.54
    limonene 97.86
    1,2-dimethoxyethane 634.72
    ethyl orthosilicate 107.82
    tributyl phosphate 93.38
    diacetone alcohol 229.76
    N,N-dimethylaniline 183.82
    acrylonitrile 250.47
    aniline 147.83
    1,3-propanediol 156.19
    bromobenzene 195.78
    dibromomethane 265.87
    1,1,2,2-tetrachloroethane 380.0
    2-methyl-cyclohexyl acetate 151.33
    tetrabutyl urea 142.15
    diisobutyl methanol 58.35
    2-phenylethanol 142.99
    styrene 104.49
    dioctyl adipate 168.54
    dimethyl sulfate 372.9
    ethyl butyrate 183.48
    methyl lactate 157.77
    butyl lactate 92.86
    diethyl carbonate 137.11
    propanediol butyl ether 116.48
    triethyl orthoformate 137.25
    p-tert-butyltoluene 70.13
    methyl 4-tert-butylbenzoate 210.26
    morpholine 505.36
    tert-butylamine 84.59
    n-dodecanol 50.19
    dimethoxymethane 608.88
    ethylene carbonate 215.83
    cyrene 271.75
    2-ethoxyethyl acetate 246.6
    2-ethylhexyl acetate 136.22
    1,2,4-trichlorobenzene 257.3
    4-methylpyridine 322.89
    dibutyl ether 125.15
    2,6-dimethyl-4-heptanol 58.35
    DEF 380.07
    dimethyl isosorbide 500.82
    tetrachloroethylene 239.21
    eugenol 212.13
    triacetin 253.22
    span 80 181.44
    1,4-butanediol 75.82
    1,1-dichloroethane 258.59
    2-methyl-1-pentanol 74.92
    methyl formate 360.01
    2-methyl-1-butanol 78.98
    n-decane 19.26
    butyronitrile 166.02
    3,7-dimethyl-1-octanol 77.62
    1-chlorooctane 63.42
    1-chlorotetradecane 39.24
    n-nonane 18.01
    undecane 16.06
    tert-butylcyclohexane 26.86
    cyclooctane 22.16
    cyclopentanol 142.23
    tetrahydropyran 327.78
    tert-amyl methyl ether 153.37
    2,5,8-trioxanonane 499.22
    1-hexene 62.62
    2-isopropoxyethanol 191.8
    2,2,2-trifluoroethanol 156.02
    methyl butyrate 218.38

    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