1-Mercapto-2-propanone

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  • Identifiers

    CAS number
    24653-75-6

    Molecular formula
    C3H6OS

    SMILES
    CC(=O)CS

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 84.96%
    Meaty 73.38%
    Onion 70.69%
    Garlic 61.75%
    Alliaceous 55.34%
    Savory 54.06%
    Roasted 51.67%
    Vegetable 46.15%
    Potato 42.05%
    Cooked 41.71%

     

    Flavor
    Sulfurous 36.68%
    Garlic 29.48%
    Pungent 29.04%
    Oily 28.93%
    Fishy 28.8%
    Milky 27.12%
    Onion 26.91%
    Sulfury 25.95%
    Vegetable 25.89%
    Roasted 25.51%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    8.9 (weak base)

    Molecular weight
    90.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 112 - 114 °C

    Boiling point

    • 47.00 to 49.00 °C. @ 19.00 mm Hg

    Flash point

    • 39.36 ˚C est.

    Solubility expt.

    • slightly
    • soluble in oil and alcohol

  • Synonyms

    • 1-Mercapto-2-propanone
    • 1-sulfanylpropan-2-one
    • Mercaptoacetone
    • 24653-75-6
    • 2-Propanone, 1-mercapto-
    • 1-Sulfanylacetone
    • YAZ3C89IVG
    • mercapto-2-propanone
    • UNII-YAZ3C89IVG
    • 2-PROPANONE, MERCAPTO-
    • 3-MERCAPTO-2-PROPANONE
    • FEMA NO. 3856
    • DTXSID50179396
    • 1-MERCAPTO-2-PROPANONE [FHFI]
    • 2-Propanone, 1-mercapto- (8CI,9CI)
    • acetonylmercaptan
    • mercaptopropanone
    • Acetonyl mercaptan
    • 2-Oxopropanethiol
    • propanone, 1-mercapto-
    • CHEBI:89835
    • FEMA 3856
    • DTXCID80101887
    • AKOS006274406
    • NS00125789
    • EN300-92052
    • Q27162020
    • 639-011-6

  • Applications

    1-Mercapto-2-propanone (CAS 24653-75-6) is often used as a versatile intermediate in organic synthesis, serving as a building block for thioether and thioester derivatives in pharmaceutical and specialty-chemical manufacture. In polymer and materials chemistry, it can act as a reactive thiol component in radical polymerizations, enabling chain-transfer control and network formation. In the fragrance and flavor sector, sulfur-containing ketones and mercapto compounds are evaluated as fragrance precursors or odorant building blocks, supporting sulfurous notes and novel scent profiles. In coatings, inks, and adhesives, it may function as a reactive modifier or curing component via thiol-epoxy or thiol-ene chemistry, contributing to formulations and performance. Use of this substance is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 586.15
    methanol 1071.27
    isopropanol 338.03
    water 306.03
    ethyl acetate 155.42
    n-propanol 327.07
    acetone 598.89
    n-butanol 239.75
    acetonitrile 425.68
    DMF 922.65
    toluene 31.66
    isobutanol 185.1
    1,4-dioxane 316.24
    methyl acetate 262.14
    THF 298.04
    2-butanone 281.91
    n-pentanol 153.13
    sec-butanol 219.75
    n-hexane 16.13
    ethylene glycol 361.01
    NMP 518.27
    cyclohexane 14.19
    DMSO 522.1
    n-butyl acetate 49.39
    n-octanol 80.74
    chloroform 272.17
    n-propyl acetate 73.5
    acetic acid 666.01
    dichloromethane 241.44
    cyclohexanone 204.87
    propylene glycol 308.67
    isopropyl acetate 73.03
    DMAc 647.65
    2-ethoxyethanol 313.76
    isopentanol 146.58
    n-heptane 11.66
    ethyl formate 174.01
    1,2-dichloroethane 121.84
    n-hexanol 101.07
    2-methoxyethanol 668.48
    isobutyl acetate 44.65
    tetrachloromethane 69.86
    n-pentyl acetate 60.7
    transcutol 570.97
    n-heptanol 71.7
    ethylbenzene 21.31
    MIBK 69.62
    2-propoxyethanol 226.82
    tert-butanol 273.19
    MTBE 104.31
    2-butoxyethanol 159.17
    propionic acid 329.46
    o-xylene 33.9
    formic acid 581.86
    diethyl ether 137.99
    m-xylene 27.0
    p-xylene 32.78
    chlorobenzene 59.45
    dimethyl carbonate 73.68
    n-octane 6.16
    formamide 720.38
    cyclopentanone 300.47
    2-pentanone 162.37
    anisole 90.85
    cyclopentyl methyl ether 107.58
    gamma-butyrolactone 287.57
    1-methoxy-2-propanol 356.55
    pyridine 196.65
    3-pentanone 127.48
    furfural 314.12
    n-dodecane 5.5
    diethylene glycol 273.5
    diisopropyl ether 26.38
    tert-amyl alcohol 188.44
    acetylacetone 189.05
    n-hexadecane 5.74
    acetophenone 97.22
    methyl propionate 154.56
    isopentyl acetate 40.97
    trichloroethylene 224.05
    n-nonanol 67.49
    cyclohexanol 128.75
    benzyl alcohol 115.23
    2-ethylhexanol 48.35
    isooctanol 49.31
    dipropyl ether 47.84
    1,2-dichlorobenzene 58.2
    ethyl lactate 67.26
    propylene carbonate 119.37
    n-methylformamide 575.01
    2-pentanol 128.94
    n-pentane 17.36
    1-propoxy-2-propanol 123.68
    1-methoxy-2-propyl acetate 71.86
    2-(2-methoxypropoxy) propanol 130.98
    mesitylene 17.33
    ε-caprolactone 157.39
    p-cymene 18.18
    epichlorohydrin 230.45
    1,1,1-trichloroethane 121.62
    2-aminoethanol 463.44
    morpholine-4-carbaldehyde 484.55
    sulfolane 260.7
    2,2,4-trimethylpentane 8.06
    2-methyltetrahydrofuran 182.82
    n-hexyl acetate 86.25
    isooctane 4.46
    2-(2-butoxyethoxy)ethanol 188.76
    sec-butyl acetate 43.44
    tert-butyl acetate 64.36
    decalin 7.94
    glycerin 378.45
    diglyme 300.41
    acrylic acid 340.67
    isopropyl myristate 32.77
    n-butyric acid 243.47
    acetyl acetate 103.4
    di(2-ethylhexyl) phthalate 42.85
    ethyl propionate 68.16
    nitromethane 830.34
    1,2-diethoxyethane 109.31
    benzonitrile 98.57
    trioctyl phosphate 29.0
    1-bromopropane 65.84
    gamma-valerolactone 385.39
    n-decanol 46.03
    triethyl phosphate 31.23
    4-methyl-2-pentanol 55.81
    propionitrile 184.15
    vinylene carbonate 126.55
    1,1,2-trichlorotrifluoroethane 307.47
    DMS 71.14
    cumene 19.12
    2-octanol 45.68
    2-hexanone 97.15
    octyl acetate 45.11
    limonene 27.97
    1,2-dimethoxyethane 318.12
    ethyl orthosilicate 30.32
    tributyl phosphate 34.66
    diacetone alcohol 133.12
    N,N-dimethylaniline 70.55
    acrylonitrile 261.63
    aniline 118.66
    1,3-propanediol 389.74
    bromobenzene 39.23
    dibromomethane 133.33
    1,1,2,2-tetrachloroethane 175.84
    2-methyl-cyclohexyl acetate 42.37
    tetrabutyl urea 52.48
    diisobutyl methanol 26.05
    2-phenylethanol 80.68
    styrene 30.35
    dioctyl adipate 54.05
    dimethyl sulfate 116.46
    ethyl butyrate 46.68
    methyl lactate 130.15
    butyl lactate 65.43
    diethyl carbonate 33.08
    propanediol butyl ether 174.28
    triethyl orthoformate 37.97
    p-tert-butyltoluene 17.79
    methyl 4-tert-butylbenzoate 80.39
    morpholine 375.95
    tert-butylamine 143.26
    n-dodecanol 33.51
    dimethoxymethane 274.08
    ethylene carbonate 94.3
    cyrene 122.13
    2-ethoxyethyl acetate 96.62
    2-ethylhexyl acetate 32.29
    1,2,4-trichlorobenzene 82.64
    4-methylpyridine 159.19
    dibutyl ether 52.6
    2,6-dimethyl-4-heptanol 26.05
    DEF 232.58
    dimethyl isosorbide 135.31
    tetrachloroethylene 153.24
    eugenol 101.09
    triacetin 110.24
    span 80 112.94
    1,4-butanediol 176.9
    1,1-dichloroethane 142.39
    2-methyl-1-pentanol 102.19
    methyl formate 346.13
    2-methyl-1-butanol 147.54
    n-decane 9.31
    butyronitrile 165.79
    3,7-dimethyl-1-octanol 56.97
    1-chlorooctane 31.44
    1-chlorotetradecane 12.1
    n-nonane 9.02
    undecane 6.87
    tert-butylcyclohexane 8.59
    cyclooctane 4.94
    cyclopentanol 192.41
    tetrahydropyran 168.14
    tert-amyl methyl ether 77.39
    2,5,8-trioxanonane 225.71
    1-hexene 45.1
    2-isopropoxyethanol 165.81
    2,2,2-trifluoroethanol 314.11
    methyl butyrate 98.23

    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