2-Mercapto-3-pentanone

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  • Identifiers

    CAS number
    17042-24-9

    Molecular formula
    C5H10OS

    SMILES
    CCC(=O)C(C)S

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Meaty 81.56%
    Sulfurous 80.28%
    Roasted 68.56%
    Onion 60.35%
    Savory 54.63%
    Alliaceous 42.01%
    Grapefruit 40.29%
    Cooked 39.56%
    Beefy 38.48%
    Coffee 37.96%

    Scent© AI

  • Properties

    XLogP3-AA
    1.1

    Molecular weight
    118.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 157.00 to 159.00 °C. @ 760.00 mm Hg

    Flash point est.
    45.44 ˚C

  • Synonyms

    • 2-mercapto-3-pentanone
    • 2-sulfanylpentan-3-one
    • 17042-24-9
    • mercaptopentanone,2-mercapto-3-pentanone
    • 3-Pentanone, 2-mercapto
    • 2-sulanylpentan-3-one
    • SCHEMBL822984
    • CHEBI:173444
    • DTXSID101314479
    • MFCD00085205
    • AKOS026743064
    • AS-64491
    • DB-182317
    • M2515
    • D91606
    • EN300-189321
    • 806-957-8

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 904.24
    methanol 1484.97
    isopropanol 519.48
    water 33.79
    ethyl acetate 270.73
    n-propanol 522.24
    acetone 495.12
    n-butanol 472.14
    acetonitrile 492.51
    DMF 500.49
    toluene 129.21
    isobutanol 371.5
    1,4-dioxane 573.87
    methyl acetate 350.14
    THF 575.85
    2-butanone 379.25
    n-pentanol 391.7
    sec-butanol 414.5
    n-hexane 70.56
    ethylene glycol 250.75
    NMP 521.08
    cyclohexane 57.86
    DMSO 509.16
    n-butyl acetate 258.58
    n-octanol 192.93
    chloroform 816.51
    n-propyl acetate 217.41
    acetic acid 854.74
    dichloromethane 710.98
    cyclohexanone 446.55
    propylene glycol 197.11
    isopropyl acetate 169.3
    DMAc 424.28
    2-ethoxyethanol 551.73
    isopentanol 401.88
    n-heptane 44.46
    ethyl formate 277.46
    1,2-dichloroethane 358.51
    n-hexanol 315.06
    2-methoxyethanol 721.67
    isobutyl acetate 141.59
    tetrachloromethane 235.86
    n-pentyl acetate 216.27
    transcutol 1279.01
    n-heptanol 180.99
    ethylbenzene 99.64
    MIBK 186.35
    2-propoxyethanol 462.09
    tert-butanol 499.49
    MTBE 339.26
    2-butoxyethanol 324.75
    propionic acid 379.25
    o-xylene 115.67
    formic acid 556.53
    diethyl ether 318.04
    m-xylene 102.32
    p-xylene 156.42
    chlorobenzene 229.02
    dimethyl carbonate 79.78
    n-octane 22.83
    formamide 525.63
    cyclopentanone 467.27
    2-pentanone 280.96
    anisole 226.2
    cyclopentyl methyl ether 259.3
    gamma-butyrolactone 496.63
    1-methoxy-2-propanol 385.25
    pyridine 386.35
    3-pentanone 197.77
    furfural 578.49
    n-dodecane 18.12
    diethylene glycol 419.06
    diisopropyl ether 104.7
    tert-amyl alcohol 424.05
    acetylacetone 294.67
    n-hexadecane 19.54
    acetophenone 224.9
    methyl propionate 185.84
    isopentyl acetate 229.21
    trichloroethylene 678.25
    n-nonanol 159.8
    cyclohexanol 317.28
    benzyl alcohol 238.28
    2-ethylhexanol 186.39
    isooctanol 143.99
    dipropyl ether 162.98
    1,2-dichlorobenzene 225.31
    ethyl lactate 109.06
    propylene carbonate 260.41
    n-methylformamide 374.89
    2-pentanol 289.29
    n-pentane 66.94
    1-propoxy-2-propanol 293.77
    1-methoxy-2-propyl acetate 214.89
    2-(2-methoxypropoxy) propanol 264.51
    mesitylene 72.56
    ε-caprolactone 392.55
    p-cymene 86.11
    epichlorohydrin 503.04
    1,1,1-trichloroethane 377.6
    2-aminoethanol 396.92
    morpholine-4-carbaldehyde 582.35
    sulfolane 495.86
    2,2,4-trimethylpentane 39.29
    2-methyltetrahydrofuran 480.13
    n-hexyl acetate 283.47
    isooctane 27.35
    2-(2-butoxyethoxy)ethanol 389.12
    sec-butyl acetate 148.9
    tert-butyl acetate 195.84
    decalin 39.13
    glycerin 270.98
    diglyme 638.32
    acrylic acid 343.83
    isopropyl myristate 100.53
    n-butyric acid 417.64
    acetyl acetate 193.91
    di(2-ethylhexyl) phthalate 113.39
    ethyl propionate 155.14
    nitromethane 786.01
    1,2-diethoxyethane 368.99
    benzonitrile 313.91
    trioctyl phosphate 82.65
    1-bromopropane 258.42
    gamma-valerolactone 604.24
    n-decanol 110.42
    triethyl phosphate 93.03
    4-methyl-2-pentanol 164.84
    propionitrile 301.45
    vinylene carbonate 264.28
    1,1,2-trichlorotrifluoroethane 423.34
    DMS 187.19
    cumene 89.59
    2-octanol 134.44
    2-hexanone 271.12
    octyl acetate 127.87
    limonene 123.72
    1,2-dimethoxyethane 616.28
    ethyl orthosilicate 98.92
    tributyl phosphate 105.0
    diacetone alcohol 243.47
    N,N-dimethylaniline 161.78
    acrylonitrile 352.91
    aniline 208.78
    1,3-propanediol 506.14
    bromobenzene 202.4
    dibromomethane 474.87
    1,1,2,2-tetrachloroethane 500.83
    2-methyl-cyclohexyl acetate 159.09
    tetrabutyl urea 122.83
    diisobutyl methanol 108.02
    2-phenylethanol 217.35
    styrene 129.94
    dioctyl adipate 143.78
    dimethyl sulfate 128.15
    ethyl butyrate 168.89
    methyl lactate 120.19
    butyl lactate 167.68
    diethyl carbonate 114.85
    propanediol butyl ether 294.61
    triethyl orthoformate 127.76
    p-tert-butyltoluene 79.05
    methyl 4-tert-butylbenzoate 189.61
    morpholine 561.96
    tert-butylamine 332.69
    n-dodecanol 80.63
    dimethoxymethane 293.21
    ethylene carbonate 208.28
    cyrene 240.25
    2-ethoxyethyl acetate 299.02
    2-ethylhexyl acetate 187.89
    1,2,4-trichlorobenzene 278.64
    4-methylpyridine 397.37
    dibutyl ether 184.51
    2,6-dimethyl-4-heptanol 108.02
    DEF 302.16
    dimethyl isosorbide 344.42
    tetrachloroethylene 431.28
    eugenol 221.39
    triacetin 244.86
    span 80 229.09
    1,4-butanediol 276.28
    1,1-dichloroethane 395.97
    2-methyl-1-pentanol 336.94
    methyl formate 287.84
    2-methyl-1-butanol 380.09
    n-decane 31.13
    butyronitrile 357.23
    3,7-dimethyl-1-octanol 171.41
    1-chlorooctane 107.13
    1-chlorotetradecane 42.51
    n-nonane 31.6
    undecane 22.65
    tert-butylcyclohexane 45.08
    cyclooctane 21.86
    cyclopentanol 336.85
    tetrahydropyran 412.43
    tert-amyl methyl ether 252.09
    2,5,8-trioxanonane 408.06
    1-hexene 188.78
    2-isopropoxyethanol 363.49
    2,2,2-trifluoroethanol 286.63
    methyl butyrate 232.62

    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