tert-Amylthiol

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  • Identifiers

    CAS number
    1679-09-0

    Molecular formula
    C5H12S

    SMILES
    CCC(C)(C)S

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 93.83%
    Meaty 81.16%
    Tropical 60.09%
    Roasted 56.46%
    Savory 50.88%
    Vegetable 50.44%
    Onion 50.31%
    Alliaceous 38.84%
    Garlic 38.33%
    Coffee 33.89%

     

    Flavor
    Sulfurous 51.76%
    Meaty 39.18%
    Sulfury 33.66%
    Green 30.34%
    Onion 28.9%
    Fishy 27.48%
    Woody 27.32%
    Earthy 26.54%
    Vegetable 25.71%
    Burnt 25.14%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    11.56 (strong base)

    Molecular weight
    104.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    96°C

    Flash point

    • -3.21 ˚C est.

  • Synonyms

    • 2-METHYL-2-BUTANETHIOL
    • tert-Amyl mercaptan
    • 1679-09-0
    • 2-Methylbutane-2-thiol
    • 2-Butanethiol, 2-methyl-
    • tert-Amylthiol
    • tert-Pentyl mercaptan
    • 2-Methybutane-2-thiol
    • 2-tert-Pentyl mercaptan
    • 1,1-dimethyl-1-propanethiol
    • 2-ethyl-2-propanethiol
    • EINECS 216-843-4
    • NSC 60251
    • NSC-60251
    • NSC-229571
    • 26IU670827
    • DTXSID5061877
    • IQIBYAHJXQVQGB-UHFFFAOYSA-
    • UNII-26IU670827
    • 2-methyl-butane-2-thiol
    • tert-Pentyl hydrosulfide #
    • SCHEMBL24480
    • 1,1-diMethyl-1-Propylthiol
    • DTXCID9035389
    • 1-Propanethiol, 1,1-dimethyl-
    • NSC60251
    • NSC229571
    • AKOS006229375
    • NS00012856
    • EN300-1841286
    • Q27254099

  • Applications

    tert-Amylthiol (CAS 1679-09-0) is used primarily as an odorant and fragrance/flavor ingredient, potentially contributing sulfur-related notes in perfumery and flavor formulations and typically incorporated at permitted levels; it is also employed as an odorant in industrial gas odorization and can serve as a chemical intermediate for the synthesis of thioether derivatives; in cosmetics and personal care, it may appear as a trace fragrance component within allowed usage; in household cleaning products, it can act as an odorant to impart a distinctive fragrance within formulation limits; in industrial manufacturing, it acts as a building block or intermediate for sulfur-containing compounds and specialty materials, with all uses subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 267.77
    methanol 215.85
    isopropanol 234.13
    water 2.23
    ethyl acetate 267.91
    n-propanol 257.03
    acetone 211.06
    n-butanol 267.86
    acetonitrile 162.55
    DMF 223.9
    toluene 148.6
    isobutanol 178.41
    1,4-dioxane 368.55
    methyl acetate 237.6
    THF 506.76
    2-butanone 265.7
    n-pentanol 186.83
    sec-butanol 281.46
    n-hexane 147.84
    ethylene glycol 67.43
    NMP 252.28
    cyclohexane 129.64
    DMSO 154.83
    n-butyl acetate 275.96
    n-octanol 269.13
    chloroform 511.2
    n-propyl acetate 152.66
    acetic acid 184.31
    dichloromethane 289.55
    cyclohexanone 249.94
    propylene glycol 140.72
    isopropyl acetate 214.91
    DMAc 308.95
    2-ethoxyethanol 218.62
    isopentanol 209.15
    n-heptane 203.97
    ethyl formate 114.62
    1,2-dichloroethane 166.24
    n-hexanol 438.74
    2-methoxyethanol 322.01
    isobutyl acetate 128.89
    tetrachloromethane 164.87
    n-pentyl acetate 201.22
    transcutol 664.69
    n-heptanol 261.97
    ethylbenzene 102.51
    MIBK 168.77
    2-propoxyethanol 491.92
    tert-butanol 306.14
    MTBE 334.54
    2-butoxyethanol 320.26
    propionic acid 191.63
    o-xylene 129.63
    formic acid 60.05
    diethyl ether 323.33
    m-xylene 128.33
    p-xylene 117.14
    chlorobenzene 142.75
    dimethyl carbonate 91.82
    n-octane 79.96
    formamide 79.5
    cyclopentanone 287.38
    2-pentanone 236.79
    anisole 184.02
    cyclopentyl methyl ether 318.91
    gamma-butyrolactone 243.52
    1-methoxy-2-propanol 337.99
    pyridine 236.96
    3-pentanone 213.56
    furfural 214.4
    n-dodecane 56.7
    diethylene glycol 258.14
    diisopropyl ether 173.54
    tert-amyl alcohol 342.76
    acetylacetone 205.5
    n-hexadecane 59.65
    acetophenone 146.43
    methyl propionate 211.57
    isopentyl acetate 248.18
    trichloroethylene 292.23
    n-nonanol 243.27
    cyclohexanol 214.81
    benzyl alcohol 128.21
    2-ethylhexanol 301.58
    isooctanol 197.16
    dipropyl ether 350.97
    1,2-dichlorobenzene 138.73
    ethyl lactate 108.61
    propylene carbonate 168.07
    n-methylformamide 123.49
    2-pentanol 252.98
    n-pentane 142.92
    1-propoxy-2-propanol 449.71
    1-methoxy-2-propyl acetate 287.77
    2-(2-methoxypropoxy) propanol 273.67
    mesitylene 100.28
    ε-caprolactone 243.25
    p-cymene 127.56
    epichlorohydrin 254.84
    1,1,1-trichloroethane 286.02
    2-aminoethanol 146.43
    morpholine-4-carbaldehyde 293.81
    sulfolane 222.04
    2,2,4-trimethylpentane 80.14
    2-methyltetrahydrofuran 425.38
    n-hexyl acetate 303.88
    isooctane 61.43
    2-(2-butoxyethoxy)ethanol 353.64
    sec-butyl acetate 153.73
    tert-butyl acetate 247.77
    decalin 71.91
    glycerin 152.85
    diglyme 464.01
    acrylic acid 148.32
    isopropyl myristate 154.13
    n-butyric acid 248.54
    acetyl acetate 178.37
    di(2-ethylhexyl) phthalate 123.7
    ethyl propionate 173.55
    nitromethane 187.19
    1,2-diethoxyethane 302.82
    benzonitrile 121.88
    trioctyl phosphate 101.16
    1-bromopropane 202.68
    gamma-valerolactone 304.76
    n-decanol 187.25
    triethyl phosphate 119.46
    4-methyl-2-pentanol 170.03
    propionitrile 171.72
    vinylene carbonate 135.9
    1,1,2-trichlorotrifluoroethane 251.83
    DMS 161.96
    cumene 85.72
    2-octanol 187.88
    2-hexanone 182.86
    octyl acetate 195.36
    limonene 188.76
    1,2-dimethoxyethane 282.4
    ethyl orthosilicate 130.52
    tributyl phosphate 111.33
    diacetone alcohol 262.06
    N,N-dimethylaniline 147.84
    acrylonitrile 154.16
    aniline 181.33
    1,3-propanediol 188.89
    bromobenzene 142.33
    dibromomethane 249.0
    1,1,2,2-tetrachloroethane 304.8
    2-methyl-cyclohexyl acetate 197.28
    tetrabutyl urea 126.81
    diisobutyl methanol 174.62
    2-phenylethanol 207.54
    styrene 115.8
    dioctyl adipate 163.93
    dimethyl sulfate 102.53
    ethyl butyrate 228.53
    methyl lactate 142.11
    butyl lactate 164.23
    diethyl carbonate 146.55
    propanediol butyl ether 255.92
    triethyl orthoformate 199.68
    p-tert-butyltoluene 143.06
    methyl 4-tert-butylbenzoate 225.29
    morpholine 422.83
    tert-butylamine 246.97
    n-dodecanol 146.41
    dimethoxymethane 195.9
    ethylene carbonate 124.95
    cyrene 168.28
    2-ethoxyethyl acetate 229.8
    2-ethylhexyl acetate 217.16
    1,2,4-trichlorobenzene 184.91
    4-methylpyridine 209.53
    dibutyl ether 261.55
    2,6-dimethyl-4-heptanol 174.62
    DEF 230.38
    dimethyl isosorbide 336.28
    tetrachloroethylene 211.16
    eugenol 199.31
    triacetin 235.05
    span 80 294.57
    1,4-butanediol 77.63
    1,1-dichloroethane 244.9
    2-methyl-1-pentanol 179.53
    methyl formate 84.66
    2-methyl-1-butanol 216.22
    n-decane 93.31
    butyronitrile 178.47
    3,7-dimethyl-1-octanol 231.29
    1-chlorooctane 188.07
    1-chlorotetradecane 86.81
    n-nonane 96.06
    undecane 70.61
    tert-butylcyclohexane 80.75
    cyclooctane 78.04
    cyclopentanol 220.53
    tetrahydropyran 391.9
    tert-amyl methyl ether 315.83
    2,5,8-trioxanonane 325.38
    1-hexene 220.32
    2-isopropoxyethanol 199.13
    2,2,2-trifluoroethanol 83.6
    methyl butyrate 173.6

    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