Carbonyl sulfide

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  • Identifiers

    CAS number
    463-58-1

    Molecular formula
    COS

    SMILES
    C(=O)=S

    Safety labels

    Flammable
    Flammable

    Compressed Gas
    Compressed Gas

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 84.99%
    Pungent 46.17%
    Sulfurous 24.67%
    Sharp 22.53%
    Radish 21.03%
    Burnt 19.81%
    Garlic 18.47%
    Alliaceous 17.65%
    Sour 16.01%
    Cooked 12.62%

     

    Flavor
    Bitter 55.09%
    Odorless 52.9%
    Pungent 40.01%
    Mustard 36.29%
    Sulfur 28.23%
    Formyl 25.97%
    Vinegar 25.09%
    Rotten 23.5%
    Horseradish 19.75%
    Mousy 19.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    8.83 (weak base)

    Molecular weight
    60.08 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -138.8 °C
    • -58.4 °F

    Boiling point

    • -50 °C

    Flash point

    • 3.21 ˚C est.

    Solubility expt.

    • In water, 1,220 mg/L at 25 °C
    • Solubility at 1 atm (mL/mL): water 0.80 (12.5 °C)
    • Soluble in water
    • Soluble in ethanol
    • For more Solubility (Complete) data for Carbonyl sulfide (6 total), please visit the HSDB record page.

  • Synonyms

    • CARBONYL SULFIDE
    • Carbon oxysulfide
    • Carbonyl sulphide
    • Carbon oxide sulfide
    • 463-58-1
    • Oxycarbon sulfide
    • carbonylsulfide
    • Carbon monoxide monosulfide
    • Carbon oxide sulfide (COS)
    • oxidosulfidocarbon
    • HSDB 6127
    • EINECS 207-340-0
    • C(O)S
    • O=C=S
    • UN2204
    • UNII-871UI0ET21
    • BRN 1697284
    • Carbon oxide sulphide
    • 871UI0ET21
    • CARBONYL SULFIDE [MI]
    • CARBONYL SULFIDE [HSDB]
    • DTXSID6023949
    • CHEBI:16573
    • Oxo(thioxo)methane
    • 4-03-00-00271 (Beilstein Handbook Reference)
    • COS
    • UN 2204
    • Carbon oxide sulfide(COS)
    • Sulfuro de carbonilo
    • Carbon oxygen sulfide
    • Carbon oxygen sulphide
    • Oxo(thioxo)methane #
    • THIOCARBONYL OXIDE
    • Carbon oxide sulfide (9CI)
    • CARBONYL SULFIDE (COS)
    • Carbonyl sulfide, >=97.5%
    • DTXCID903949
    • Sulfuro de carbonilo (Spanish)
    • CARBON OXYSULFIDE (COS)
    • OXYCARBON SULFIDE (COS)
    • carbonyl sulfide;oxidosulfidocarbon
    • carbon oxide sulfide, carbon oxysulfide
    • Carbonyl sulfide [UN2204] [Poison gas]
    • NS00080515
    • C07331
    • Q412371

  • Applications

    Carbonyl sulfide (COS, CAS 463-58-1) is primarily used as a sulfur- and carbonyl-containing building block in chemical synthesis, serving as an intermediate to access sulfur-containing functional groups and thio-carbonyl motifs. It is employed as a feedstock to prepare organosulfur compounds and is often evaluated for applications in polymer and materials chemistry, including sulfur-containing polymers and related materials. In inorganic and organometallic chemistry, COS is used to generate metal thiocarbonyl complexes and related species. It is also the subject of research as a carbonyl-sulfur source for certain sulfur-containing syntheses and materials, with practical use depending on catalysts, reaction conditions, and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 203.24
    methanol 316.75
    isopropanol 150.72
    water 26.35
    ethyl acetate 152.83
    n-propanol 146.64
    acetone 474.27
    n-butanol 120.49
    acetonitrile 324.47
    DMF 926.27
    toluene 51.37
    isobutanol 96.16
    1,4-dioxane 325.27
    methyl acetate 224.47
    THF 357.29
    2-butanone 254.01
    n-pentanol 118.63
    sec-butanol 129.59
    n-hexane 22.39
    ethylene glycol 149.86
    NMP 517.41
    cyclohexane 34.22
    DMSO 1029.41
    n-butyl acetate 93.02
    n-octanol 79.54
    chloroform 115.3
    n-propyl acetate 129.65
    acetic acid 204.56
    dichloromethane 154.92
    cyclohexanone 193.54
    propylene glycol 84.4
    isopropyl acetate 90.29
    DMAc 648.7
    2-ethoxyethanol 277.75
    isopentanol 99.53
    n-heptane 28.22
    ethyl formate 120.74
    1,2-dichloroethane 143.64
    n-hexanol 77.1
    2-methoxyethanol 377.03
    isobutyl acetate 68.85
    tetrachloromethane 35.19
    n-pentyl acetate 76.15
    transcutol 593.56
    n-heptanol 50.6
    ethylbenzene 42.69
    MIBK 106.4
    2-propoxyethanol 170.58
    tert-butanol 176.78
    MTBE 144.5
    2-butoxyethanol 110.74
    propionic acid 122.08
    o-xylene 55.07
    formic acid 145.96
    diethyl ether 187.32
    m-xylene 44.43
    p-xylene 49.65
    chlorobenzene 51.93
    dimethyl carbonate 114.37
    n-octane 14.06
    formamide 304.82
    cyclopentanone 244.38
    2-pentanone 186.73
    anisole 121.45
    cyclopentyl methyl ether 157.82
    gamma-butyrolactone 242.11
    1-methoxy-2-propanol 234.66
    pyridine 179.53
    3-pentanone 166.54
    furfural 248.62
    n-dodecane 14.03
    diethylene glycol 213.02
    diisopropyl ether 65.82
    tert-amyl alcohol 145.2
    acetylacetone 215.47
    n-hexadecane 15.2
    acetophenone 121.45
    methyl propionate 164.45
    isopentyl acetate 78.05
    trichloroethylene 169.43
    n-nonanol 69.68
    cyclohexanol 106.98
    benzyl alcohol 96.77
    2-ethylhexanol 58.44
    isooctanol 43.23
    dipropyl ether 104.75
    1,2-dichlorobenzene 54.45
    ethyl lactate 72.47
    propylene carbonate 96.85
    n-methylformamide 355.35
    2-pentanol 96.39
    n-pentane 30.31
    1-propoxy-2-propanol 136.69
    1-methoxy-2-propyl acetate 111.21
    2-(2-methoxypropoxy) propanol 148.38
    mesitylene 36.68
    ε-caprolactone 149.53
    p-cymene 36.92
    epichlorohydrin 238.95
    1,1,1-trichloroethane 96.27
    2-aminoethanol 156.43
    morpholine-4-carbaldehyde 499.62
    sulfolane 315.0
    2,2,4-trimethylpentane 15.89
    2-methyltetrahydrofuran 210.97
    n-hexyl acetate 98.42
    isooctane 12.58
    2-(2-butoxyethoxy)ethanol 192.08
    sec-butyl acetate 77.9
    tert-butyl acetate 101.85
    decalin 17.68
    glycerin 143.84
    diglyme 384.11
    acrylic acid 129.72
    isopropyl myristate 58.22
    n-butyric acid 105.4
    acetyl acetate 100.8
    di(2-ethylhexyl) phthalate 45.04
    ethyl propionate 108.63
    nitromethane 495.52
    1,2-diethoxyethane 196.73
    benzonitrile 97.04
    trioctyl phosphate 38.2
    1-bromopropane 86.83
    gamma-valerolactone 299.68
    n-decanol 56.42
    triethyl phosphate 51.21
    4-methyl-2-pentanol 59.2
    propionitrile 168.8
    vinylene carbonate 94.71
    1,1,2-trichlorotrifluoroethane 211.36
    DMS 104.43
    cumene 34.75
    2-octanol 46.65
    2-hexanone 149.29
    octyl acetate 66.58
    limonene 54.64
    1,2-dimethoxyethane 435.57
    ethyl orthosilicate 51.21
    tributyl phosphate 47.3
    diacetone alcohol 140.18
    N,N-dimethylaniline 116.97
    acrylonitrile 211.79
    aniline 76.98
    1,3-propanediol 161.39
    bromobenzene 47.2
    dibromomethane 107.0
    1,1,2,2-tetrachloroethane 140.8
    2-methyl-cyclohexyl acetate 66.04
    tetrabutyl urea 82.84
    diisobutyl methanol 51.84
    2-phenylethanol 74.66
    styrene 53.87
    dioctyl adipate 81.19
    dimethyl sulfate 203.43
    ethyl butyrate 89.34
    methyl lactate 107.13
    butyl lactate 64.41
    diethyl carbonate 62.02
    propanediol butyl ether 126.97
    triethyl orthoformate 71.17
    p-tert-butyltoluene 36.66
    methyl 4-tert-butylbenzoate 101.24
    morpholine 351.13
    tert-butylamine 108.87
    n-dodecanol 48.77
    dimethoxymethane 368.16
    ethylene carbonate 79.84
    cyrene 140.16
    2-ethoxyethyl acetate 113.92
    2-ethylhexyl acetate 65.0
    1,2,4-trichlorobenzene 69.17
    4-methylpyridine 153.8
    dibutyl ether 98.16
    2,6-dimethyl-4-heptanol 51.84
    DEF 292.29
    dimethyl isosorbide 198.83
    tetrachloroethylene 107.0
    eugenol 109.63
    triacetin 121.08
    span 80 109.73
    1,4-butanediol 103.07
    1,1-dichloroethane 106.18
    2-methyl-1-pentanol 88.76
    methyl formate 251.23
    2-methyl-1-butanol 96.12
    n-decane 19.42
    butyronitrile 124.56
    3,7-dimethyl-1-octanol 71.22
    1-chlorooctane 46.37
    1-chlorotetradecane 26.42
    n-nonane 19.34
    undecane 16.2
    tert-butylcyclohexane 15.92
    cyclooctane 17.33
    cyclopentanol 123.07
    tetrahydropyran 195.66
    tert-amyl methyl ether 130.91
    2,5,8-trioxanonane 293.83
    1-hexene 49.24
    2-isopropoxyethanol 186.75
    2,2,2-trifluoroethanol 112.3
    methyl butyrate 134.57

    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