Isoamyl mercaptan

Overview IFRA Request a quote

  • Identifiers

    CAS number
    541-31-1

    Molecular formula
    C5H12S

    SMILES
    CC(C)CCS

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sulfurous 91.02%
    Meaty 79.6%
    Onion 66.51%
    Savory 62.47%
    Vegetable 62.0%
    Roasted 57.79%
    Garlic 55.84%
    Alliaceous 51.79%
    Tropical 44.06%
    Cheesy 42.8%

    Scent© AI

  • Properties

    XLogP3-AA
    2.2

    Molecular weight
    104.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 119.00 to 120.00 °C. @ 760.00 mm Hg

    Flash point est.
    14.7 ˚C

    Solubility expt.

    • soluble in oil and alcohol

  • Synonyms

    • 3-Methyl-1-butanethiol
    • Isoamyl mercaptan
    • 3-Methylbutane-1-thiol
    • 541-31-1
    • Isopentyl mercaptan
    • 1-Butanethiol, 3-methyl-
    • 3-Methylbutanethiol
    • Isopentanethiol
    • Isoamyl sulfhydrate
    • 2-Methyl-4-butanethiol
    • ISOAMYLTHIOL
    • isopentylthiol
    • isoamylmercaptan
    • MMK4SUN45E
    • 3-Methyl-1-butylthiol
    • EINECS 208-774-3
    • 3-METHYLBUTYL MERCAPTAN
    • DTXSID3060247
    • FEMA NO. 3858
    • GIJGXNFNUUFEGH-UHFFFAOYSA-
    • 3-METHYLBUTANETHIOL [FHFI]
    • UNII-MMK4SUN45E
    • C5H12S
    • 3-methylbutylthiol
    • Isoamyl thioalcohol
    • Thioisoamyl alcohol
    • 3-methyl-l-butanethiol
    • 1-Mercapto-3-methylbutane
    • SCHEMBL23698
    • 3-Methyl-1-butanethiol, 97%
    • DTXCID7041594
    • FEMA 3858
    • CHEBI:173324
    • 3-Methyl-1-butanethiol, >=97%
    • BBL027486
    • MFCD00004899
    • STL373476
    • AKOS015897470
    • FM35723
    • VS-08548
    • DB-021370
    • DB-304805
    • I0149
    • NS00022340
    • EN300-93820
    • D91090
    • A829979
    • Q27284115
    • 208-774-3
    • 341-31-1

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 704.78
    methanol 643.01
    isopropanol 453.05
    water 0.43
    ethyl acetate 310.14
    n-propanol 518.02
    acetone 505.13
    n-butanol 631.56
    acetonitrile 220.52
    DMF 187.44
    toluene 181.64
    isobutanol 351.32
    1,4-dioxane 591.36
    methyl acetate 240.83
    THF 1435.46
    2-butanone 404.33
    n-pentanol 369.76
    sec-butanol 412.06
    n-hexane 347.26
    ethylene glycol 78.29
    NMP 314.1
    cyclohexane 426.91
    DMSO 308.2
    n-butyl acetate 729.95
    n-octanol 292.22
    chloroform 542.99
    n-propyl acetate 243.99
    acetic acid 328.99
    dichloromethane 417.33
    cyclohexanone 650.43
    propylene glycol 121.01
    isopropyl acetate 214.06
    DMAc 156.37
    2-ethoxyethanol 267.69
    isopentanol 405.99
    n-heptane 558.29
    ethyl formate 180.33
    1,2-dichloroethane 285.79
    n-hexanol 918.41
    2-methoxyethanol 428.17
    isobutyl acetate 186.87
    tetrachloromethane 209.32
    n-pentyl acetate 262.75
    transcutol 803.04
    n-heptanol 341.56
    ethylbenzene 88.86
    MIBK 219.48
    2-propoxyethanol 703.98
    tert-butanol 494.29
    MTBE 447.33
    2-butoxyethanol 361.19
    propionic acid 232.04
    o-xylene 106.93
    formic acid 77.3
    diethyl ether 658.57
    m-xylene 120.74
    p-xylene 116.04
    chlorobenzene 203.7
    dimethyl carbonate 46.99
    n-octane 123.5
    formamide 69.64
    cyclopentanone 627.11
    2-pentanone 409.39
    anisole 141.2
    cyclopentyl methyl ether 603.12
    gamma-butyrolactone 450.8
    1-methoxy-2-propanol 307.96
    pyridine 347.94
    3-pentanone 272.81
    furfural 313.39
    n-dodecane 58.88
    diethylene glycol 329.61
    diisopropyl ether 207.53
    tert-amyl alcohol 401.17
    acetylacetone 244.9
    n-hexadecane 65.3
    acetophenone 117.87
    methyl propionate 177.17
    isopentyl acetate 530.62
    trichloroethylene 389.93
    n-nonanol 249.41
    cyclohexanol 498.17
    benzyl alcohol 119.56
    2-ethylhexanol 567.24
    isooctanol 233.06
    dipropyl ether 737.34
    1,2-dichlorobenzene 152.74
    ethyl lactate 80.54
    propylene carbonate 253.85
    n-methylformamide 126.86
    2-pentanol 371.87
    n-pentane 325.13
    1-propoxy-2-propanol 658.22
    1-methoxy-2-propyl acetate 330.01
    2-(2-methoxypropoxy) propanol 228.56
    mesitylene 83.97
    ε-caprolactone 444.16
    p-cymene 143.73
    epichlorohydrin 437.33
    1,1,1-trichloroethane 327.78
    2-aminoethanol 170.12
    morpholine-4-carbaldehyde 289.49
    sulfolane 429.4
    2,2,4-trimethylpentane 97.12
    2-methyltetrahydrofuran 977.37
    n-hexyl acetate 341.85
    isooctane 78.73
    2-(2-butoxyethoxy)ethanol 362.11
    sec-butyl acetate 163.21
    tert-butyl acetate 242.53
    decalin 102.89
    glycerin 130.95
    diglyme 495.81
    acrylic acid 145.85
    isopropyl myristate 148.47
    n-butyric acid 426.68
    acetyl acetate 162.68
    di(2-ethylhexyl) phthalate 111.53
    ethyl propionate 157.11
    nitromethane 238.72
    1,2-diethoxyethane 511.02
    benzonitrile 163.49
    trioctyl phosphate 109.72
    1-bromopropane 412.31
    gamma-valerolactone 534.7
    n-decanol 182.11
    triethyl phosphate 116.23
    4-methyl-2-pentanol 188.74
    propionitrile 228.85
    vinylene carbonate 166.42
    1,1,2-trichlorotrifluoroethane 258.53
    DMS 123.43
    cumene 71.65
    2-octanol 209.82
    2-hexanone 342.4
    octyl acetate 187.57
    limonene 333.02
    1,2-dimethoxyethane 447.46
    ethyl orthosilicate 136.18
    tributyl phosphate 130.01
    diacetone alcohol 240.8
    N,N-dimethylaniline 90.57
    acrylonitrile 157.79
    aniline 184.78
    1,3-propanediol 269.17
    bromobenzene 199.44
    dibromomethane 416.68
    1,1,2,2-tetrachloroethane 342.97
    2-methyl-cyclohexyl acetate 261.92
    tetrabutyl urea 154.51
    diisobutyl methanol 275.65
    2-phenylethanol 244.6
    styrene 104.33
    dioctyl adipate 166.9
    dimethyl sulfate 57.49
    ethyl butyrate 349.48
    methyl lactate 77.1
    butyl lactate 181.08
    diethyl carbonate 166.05
    propanediol butyl ether 260.24
    triethyl orthoformate 253.75
    p-tert-butyltoluene 139.16
    methyl 4-tert-butylbenzoate 149.91
    morpholine 691.2
    tert-butylamine 394.58
    n-dodecanol 141.4
    dimethoxymethane 224.19
    ethylene carbonate 165.68
    cyrene 152.7
    2-ethoxyethyl acetate 249.52
    2-ethylhexyl acetate 469.82
    1,2,4-trichlorobenzene 175.22
    4-methylpyridine 305.83
    dibutyl ether 440.39
    2,6-dimethyl-4-heptanol 275.65
    DEF 239.78
    dimethyl isosorbide 349.51
    tetrachloroethylene 283.1
    eugenol 149.19
    triacetin 188.25
    span 80 288.98
    1,4-butanediol 101.61
    1,1-dichloroethane 335.33
    2-methyl-1-pentanol 274.82
    methyl formate 92.89
    2-methyl-1-butanol 380.01
    n-decane 115.26
    butyronitrile 380.32
    3,7-dimethyl-1-octanol 271.3
    1-chlorooctane 230.84
    1-chlorotetradecane 89.89
    n-nonane 133.52
    undecane 78.3
    tert-butylcyclohexane 103.92
    cyclooctane 153.26
    cyclopentanol 487.97
    tetrahydropyran 1053.36
    tert-amyl methyl ether 324.75
    2,5,8-trioxanonane 341.34
    1-hexene 483.69
    2-isopropoxyethanol 214.45
    2,2,2-trifluoroethanol 69.84
    methyl butyrate 218.21

    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