2-Pentanethiol

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  • Identifiers

    CAS number
    2084-19-7

    Molecular formula
    C5H12S

    SMILES
    CCCC(C)S

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 88.13%
    Meaty 78.62%
    Onion 63.01%
    Roasted 59.89%
    Savory 59.24%
    Tropical 55.99%
    Fruity 52.31%
    Garlic 46.49%
    Vegetable 46.27%
    Alliaceous 46.05%

     

    Flavor
    Sulfurous 63.88%
    Onion 60.29%
    Meaty 52.81%
    Sulfury 48.49%
    Fishy 39.82%
    Gassy 36.81%
    Garlic 35.35%
    Ammoniacal 30.01%
    Vegetable 27.72%
    Burnt 26.55%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    9.94 (weak base)

    Molecular weight
    104.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    110°C

    Flash point

    • 9.84 ˚C est.

    Solubility expt.

    • slightly soluble in water; soluble in alcohol

  • Synonyms

    • 2-Pentanethiol
    • Pentane-2-thiol
    • 2084-19-7
    • 2-Mercaptopentane
    • 1-Methylbutanethiol
    • sec-Amyl mercaptan
    • FEMA No. 3792
    • 2-Pentylthiol
    • 529XY6M4QX
    • Amyl mercaptan, sec-
    • UNII-529XY6M4QX
    • 2-PENTANETHIOL [FHFI]
    • DTXSID00862827
    • EINECS 218-224-4
    • 2-mercapto pentane
    • (+/-)-2-Pentanethiol
    • SCHEMBL23737
    • 1-Methylbutyl hydrosulfide #
    • DTXCID70811544
    • CHEBI:173241
    • AKOS009255896
    • DB-000167
    • NS00046580
    • EN300-211446
    • A814965
    • Q27260987
    • 110503-18-9

  • Applications

    2-Pentanethiol is used primarily as an odor-active ingredient in fragrance formulations, typically at very low levels due to its potent sulfurous note; it also serves as a reactive building block for sulfur-containing intermediates in specialty chemical synthesis; in polymer and coating chemistry it can function as a thiol crosslinker or chain-transfer agent in thiol-ene systems for coatings, adhesives, and elastomer formulations; it is also used for surface modification and formation of self-assembled monolayers on metal substrates (e.g., gold) for electronics, sensors, or materials research; and it may serve as a precursor for the synthesis of related sulfur-containing compounds in pharmaceuticals or agrochemicals, subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1534.99
    methanol 1222.69
    isopropanol 1037.82
    water 0.39
    ethyl acetate 774.7
    n-propanol 1118.62
    acetone 1174.7
    n-butanol 1320.36
    acetonitrile 534.3
    DMF 427.84
    toluene 386.12
    isobutanol 714.9
    1,4-dioxane 1352.03
    methyl acetate 550.2
    THF 2996.56
    2-butanone 947.68
    n-pentanol 779.95
    sec-butanol 946.3
    n-hexane 605.33
    ethylene glycol 129.6
    NMP 572.9
    cyclohexane 738.8
    DMSO 629.28
    n-butyl acetate 1656.98
    n-octanol 533.9
    chloroform 1078.94
    n-propyl acetate 545.75
    acetic acid 640.95
    dichloromethane 852.02
    cyclohexanone 1328.28
    propylene glycol 219.15
    isopropyl acetate 508.1
    DMAc 329.31
    2-ethoxyethanol 548.81
    isopentanol 868.16
    n-heptane 899.0
    ethyl formate 383.55
    1,2-dichloroethane 569.38
    n-hexanol 1868.56
    2-methoxyethanol 907.36
    isobutyl acetate 374.33
    tetrachloromethane 374.05
    n-pentyl acetate 549.32
    transcutol 1594.28
    n-heptanol 608.43
    ethylbenzene 164.59
    MIBK 496.82
    2-propoxyethanol 1415.82
    tert-butanol 1095.75
    MTBE 1103.63
    2-butoxyethanol 612.86
    propionic acid 459.13
    o-xylene 194.75
    formic acid 129.05
    diethyl ether 1610.72
    m-xylene 235.84
    p-xylene 209.08
    chlorobenzene 367.84
    dimethyl carbonate 94.92
    n-octane 193.2
    formamide 126.05
    cyclopentanone 1233.61
    2-pentanone 976.65
    anisole 278.31
    cyclopentyl methyl ether 1229.0
    gamma-butyrolactone 868.21
    1-methoxy-2-propanol 632.72
    pyridine 730.71
    3-pentanone 582.51
    furfural 550.72
    n-dodecane 91.15
    diethylene glycol 599.68
    diisopropyl ether 475.73
    tert-amyl alcohol 882.27
    acetylacetone 542.03
    n-hexadecane 101.77
    acetophenone 211.16
    methyl propionate 399.97
    isopentyl acetate 1096.29
    trichloroethylene 755.71
    n-nonanol 440.51
    cyclohexanol 992.9
    benzyl alcohol 218.29
    2-ethylhexanol 1056.18
    isooctanol 406.87
    dipropyl ether 1467.77
    1,2-dichlorobenzene 263.15
    ethyl lactate 142.93
    propylene carbonate 452.69
    n-methylformamide 261.91
    2-pentanol 844.23
    n-pentane 584.54
    1-propoxy-2-propanol 1281.97
    1-methoxy-2-propyl acetate 680.91
    2-(2-methoxypropoxy) propanol 398.62
    mesitylene 158.57
    ε-caprolactone 877.39
    p-cymene 245.92
    epichlorohydrin 877.12
    1,1,1-trichloroethane 677.91
    2-aminoethanol 307.93
    morpholine-4-carbaldehyde 578.38
    sulfolane 751.09
    2,2,4-trimethylpentane 170.21
    2-methyltetrahydrofuran 2107.35
    n-hexyl acetate 684.72
    isooctane 148.27
    2-(2-butoxyethoxy)ethanol 628.23
    sec-butyl acetate 354.28
    tert-butyl acetate 552.13
    decalin 164.29
    glycerin 221.42
    diglyme 897.59
    acrylic acid 264.95
    isopropyl myristate 262.64
    n-butyric acid 923.02
    acetyl acetate 357.27
    di(2-ethylhexyl) phthalate 188.67
    ethyl propionate 338.12
    nitromethane 515.66
    1,2-diethoxyethane 1086.58
    benzonitrile 307.31
    trioctyl phosphate 180.24
    1-bromopropane 863.26
    gamma-valerolactone 1030.27
    n-decanol 315.69
    triethyl phosphate 199.9
    4-methyl-2-pentanol 401.29
    propionitrile 523.99
    vinylene carbonate 296.74
    1,1,2-trichlorotrifluoroethane 459.71
    DMS 232.29
    cumene 118.71
    2-octanol 383.08
    2-hexanone 760.5
    octyl acetate 331.4
    limonene 591.3
    1,2-dimethoxyethane 985.91
    ethyl orthosilicate 229.31
    tributyl phosphate 223.07
    diacetone alcohol 501.74
    N,N-dimethylaniline 163.88
    acrylonitrile 346.19
    aniline 368.97
    1,3-propanediol 531.22
    bromobenzene 365.66
    dibromomethane 813.23
    1,1,2,2-tetrachloroethane 632.8
    2-methyl-cyclohexyl acetate 453.53
    tetrabutyl urea 265.39
    diisobutyl methanol 491.57
    2-phenylethanol 456.97
    styrene 204.52
    dioctyl adipate 287.68
    dimethyl sulfate 113.3
    ethyl butyrate 733.13
    methyl lactate 144.54
    butyl lactate 336.07
    diethyl carbonate 306.03
    propanediol butyl ether 449.17
    triethyl orthoformate 471.55
    p-tert-butyltoluene 236.83
    methyl 4-tert-butylbenzoate 251.16
    morpholine 1549.64
    tert-butylamine 844.54
    n-dodecanol 238.76
    dimethoxymethane 492.23
    ethylene carbonate 308.35
    cyrene 251.78
    2-ethoxyethyl acetate 515.14
    2-ethylhexyl acetate 985.85
    1,2,4-trichlorobenzene 302.13
    4-methylpyridine 658.98
    dibutyl ether 846.88
    2,6-dimethyl-4-heptanol 491.57
    DEF 577.57
    dimethyl isosorbide 618.45
    tetrachloroethylene 492.87
    eugenol 249.94
    triacetin 336.25
    span 80 489.55
    1,4-butanediol 183.38
    1,1-dichloroethane 719.97
    2-methyl-1-pentanol 580.91
    methyl formate 181.08
    2-methyl-1-butanol 806.22
    n-decane 182.42
    butyronitrile 894.74
    3,7-dimethyl-1-octanol 497.94
    1-chlorooctane 396.91
    1-chlorotetradecane 145.56
    n-nonane 214.59
    undecane 121.57
    tert-butylcyclohexane 169.66
    cyclooctane 254.19
    cyclopentanol 936.63
    tetrahydropyran 2269.47
    tert-amyl methyl ether 746.23
    2,5,8-trioxanonane 589.69
    1-hexene 1005.48
    2-isopropoxyethanol 427.16
    2,2,2-trifluoroethanol 116.24
    methyl butyrate 470.76

    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