tert-Butyl mercaptan

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    75-66-1

    Molecular formula
    C4H10S

    SMILES
    CC(C)(C)S

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Sulfurous 89.86%
    Meaty 77.54%
    Roasted 55.47%
    Tropical 54.31%
    Vegetable 47.34%
    Savory 46.73%
    Onion 44.15%
    Garlic 38.2%
    Alliaceous 37.82%
    Coffee 32.97%

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    Odor threshold>

    • Odor Threshold Low: 0.00081 [mmHg]. The Guide in the Emergency Response Guidebook is for "Butyl mercaptan." Odor threshold (100% recognition) from CHEMINFO

  • Properties

    XLogP3-AA
    1.5

    Molecular weight
    90.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -32 °F (ICSC, 2024)
    • -0.5 °C
    • Heat of fusion at melting point = 2.0782X10+7 J/kmol
    • 0 °C

    Boiling point

    • 149-153 °F at 760 mmHg (NFPA, 2010)
    • 63.7-64.2 °C
    • 64 °C

    Flash point est.
    -21.78 ˚C

    Flash point expt.

    • less than -20 °F (NFPA, 2010)
    • <-20 °F (<-29 °C) (closed cup)
    • -26 °C c.c.

    Solubility expt.

    • Insoluble (NFPA, 2010)
    • Slightly sol in water; very sol in alcohol, ether, liquid hydrogen sulfide
    • Very soluble in acetone; soluble in carbon tetrachloride

  • Synonyms

    • tert-Butyl mercaptan
    • 75-66-1
    • Tertiary Butyl Mercaptan
    • 2-Methyl-2-propanethiol
    • 2-Methylpropane-2-thiol
    • tert-Butylthiol
    • tert-Butanethiol
    • 2-Propanethiol, 2-methyl-
    • T-BUTYL MERCAPTAN
    • tert-Butylmercaptan
    • t-Butylmercaptan
    • 1,1-Dimethylethanethiol
    • 2-Isobutanethiol
    • tertiary-Butyl mercaptan
    • tertbutanethiol
    • HSDB 1611
    • tert-butyl thiol
    • EINECS 200-890-2
    • UNII-489PW92WIV
    • BRN 0505947
    • tert-C4H9SH
    • DTXSID0026418
    • tert-Butyl hydrosulfide
    • 2-Methyl-2-propylthiol
    • 2-methyl-propane-2-thiol
    • BUTANETHIOL, TERT-
    • 489PW92WIV
    • DTXCID906418
    • EC 200-890-2
    • TERT-BUTYL MERCAPTAN [MI]
    • 4-01-00-01634 (Beilstein Handbook Reference)
    • 3374-16-1
    • 16528-55-5
    • TBM
    • t-BuSH
    • tbutylmercaptan
    • tertButylthiol
    • t-butanethiol
    • 2Isobutanethiol
    • tButyl mercaptan
    • tertbutylmercaptan
    • terbutyl mercaptan
    • tBuSH
    • tert.-butylmercaptan
    • 2Methyl2propanethiol
    • MFCD00004857
    • tert. butyl mercaptan
    • tert.-butyl mercaptan
    • tertiaryButyl mercaptan
    • HS-t-Bu
    • 1,1Dimethylethanethiol
    • 2-methyl-2propanethiol
    • 2Propanethiol, 2methyl
    • 2-methylpropan-2-thiol
    • CHEMBL3182458
    • 2-Methyl-2-propanethiol, 99%
    • Tox21_200874
    • NSC229569
    • STL264247
    • AKOS000121277
    • AT13962
    • FM43308
    • NSC-229569
    • CAS-75-66-1
    • NCGC00248858-01
    • NCGC00258428-01
    • DB-000158
    • M0405
    • NS00002616
    • EN300-21408
    • Q973473
    • F0001-1902

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 161.09
    methanol 158.86
    isopropanol 154.8
    water 3.91
    ethyl acetate 150.23
    n-propanol 163.57
    acetone 156.53
    n-butanol 169.86
    acetonitrile 91.84
    DMF 203.77
    toluene 101.94
    isobutanol 129.54
    1,4-dioxane 229.95
    methyl acetate 148.7
    THF 364.61
    2-butanone 182.37
    n-pentanol 115.34
    sec-butanol 184.19
    n-hexane 130.64
    ethylene glycol 69.62
    NMP 283.98
    cyclohexane 131.7
    DMSO 127.55
    n-butyl acetate 199.9
    n-octanol 211.4
    chloroform 280.82
    n-propyl acetate 112.13
    acetic acid 145.42
    dichloromethane 151.85
    cyclohexanone 225.84
    propylene glycol 127.48
    isopropyl acetate 136.28
    DMAc 266.99
    2-ethoxyethanol 129.5
    isopentanol 138.63
    n-heptane 207.56
    ethyl formate 74.84
    1,2-dichloroethane 102.68
    n-hexanol 305.0
    2-methoxyethanol 209.35
    isobutyl acetate 99.32
    tetrachloromethane 101.82
    n-pentyl acetate 133.99
    transcutol 375.01
    n-heptanol 187.69
    ethylbenzene 73.6
    MIBK 126.61
    2-propoxyethanol 326.71
    tert-butanol 222.69
    MTBE 222.05
    2-butoxyethanol 216.94
    propionic acid 148.97
    o-xylene 100.61
    formic acid 51.69
    diethyl ether 185.57
    m-xylene 97.63
    p-xylene 91.98
    chlorobenzene 99.71
    dimethyl carbonate 80.09
    n-octane 77.36
    formamide 49.52
    cyclopentanone 259.31
    2-pentanone 163.51
    anisole 130.05
    cyclopentyl methyl ether 242.99
    gamma-butyrolactone 214.71
    1-methoxy-2-propanol 225.8
    pyridine 151.87
    3-pentanone 163.8
    furfural 171.69
    n-dodecane 61.01
    diethylene glycol 175.22
    diisopropyl ether 117.17
    tert-amyl alcohol 243.97
    acetylacetone 147.39
    n-hexadecane 64.08
    acetophenone 117.65
    methyl propionate 145.48
    isopentyl acetate 191.86
    trichloroethylene 179.76
    n-nonanol 195.33
    cyclohexanol 189.01
    benzyl alcohol 87.39
    2-ethylhexanol 230.27
    isooctanol 142.66
    dipropyl ether 257.42
    1,2-dichlorobenzene 101.8
    ethyl lactate 100.82
    propylene carbonate 146.79
    n-methylformamide 96.69
    2-pentanol 162.37
    n-pentane 117.84
    1-propoxy-2-propanol 351.37
    1-methoxy-2-propyl acetate 221.16
    2-(2-methoxypropoxy) propanol 234.81
    mesitylene 82.78
    ε-caprolactone 200.3
    p-cymene 110.57
    epichlorohydrin 179.22
    1,1,1-trichloroethane 179.39
    2-aminoethanol 116.13
    morpholine-4-carbaldehyde 243.03
    sulfolane 253.66
    2,2,4-trimethylpentane 74.17
    2-methyltetrahydrofuran 282.9
    n-hexyl acetate 221.95
    isooctane 59.02
    2-(2-butoxyethoxy)ethanol 263.3
    sec-butyl acetate 106.91
    tert-butyl acetate 180.29
    decalin 70.77
    glycerin 143.5
    diglyme 337.73
    acrylic acid 130.34
    isopropyl myristate 139.1
    n-butyric acid 168.54
    acetyl acetate 115.17
    di(2-ethylhexyl) phthalate 110.33
    ethyl propionate 125.78
    nitromethane 138.11
    1,2-diethoxyethane 179.83
    benzonitrile 90.2
    trioctyl phosphate 99.48
    1-bromopropane 128.99
    gamma-valerolactone 245.87
    n-decanol 154.35
    triethyl phosphate 111.96
    4-methyl-2-pentanol 116.76
    propionitrile 110.29
    vinylene carbonate 109.45
    1,1,2-trichlorotrifluoroethane 208.13
    DMS 136.35
    cumene 69.73
    2-octanol 142.6
    2-hexanone 130.5
    octyl acetate 172.57
    limonene 172.25
    1,2-dimethoxyethane 191.86
    ethyl orthosilicate 116.26
    tributyl phosphate 107.67
    diacetone alcohol 207.45
    N,N-dimethylaniline 116.3
    acrylonitrile 103.45
    aniline 125.87
    1,3-propanediol 124.04
    bromobenzene 100.85
    dibromomethane 141.11
    1,1,2,2-tetrachloroethane 211.32
    2-methyl-cyclohexyl acetate 179.83
    tetrabutyl urea 138.3
    diisobutyl methanol 143.59
    2-phenylethanol 153.68
    styrene 79.29
    dioctyl adipate 150.89
    dimethyl sulfate 100.16
    ethyl butyrate 171.03
    methyl lactate 128.87
    butyl lactate 143.35
    diethyl carbonate 121.95
    propanediol butyl ether 209.38
    triethyl orthoformate 155.73
    p-tert-butyltoluene 130.03
    methyl 4-tert-butylbenzoate 200.05
    morpholine 261.09
    tert-butylamine 187.44
    n-dodecanol 130.9
    dimethoxymethane 155.27
    ethylene carbonate 102.68
    cyrene 156.67
    2-ethoxyethyl acetate 135.52
    2-ethylhexyl acetate 170.08
    1,2,4-trichlorobenzene 131.19
    4-methylpyridine 145.37
    dibutyl ether 187.39
    2,6-dimethyl-4-heptanol 143.59
    DEF 176.09
    dimethyl isosorbide 283.56
    tetrachloroethylene 143.44
    eugenol 173.52
    triacetin 193.48
    span 80 271.84
    1,4-butanediol 61.83
    1,1-dichloroethane 143.8
    2-methyl-1-pentanol 107.94
    methyl formate 74.01
    2-methyl-1-butanol 148.47
    n-decane 90.93
    butyronitrile 108.89
    3,7-dimethyl-1-octanol 190.69
    1-chlorooctane 148.94
    1-chlorotetradecane 86.31
    n-nonane 94.7
    undecane 72.15
    tert-butylcyclohexane 83.94
    cyclooctane 87.69
    cyclopentanol 198.99
    tetrahydropyran 262.07
    tert-amyl methyl ether 226.34
    2,5,8-trioxanonane 273.54
    1-hexene 153.79
    2-isopropoxyethanol 121.8
    2,2,2-trifluoroethanol 73.13
    methyl butyrate 132.01

    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

Botanical

Name CAS Botanical Proportion
Asafoetida headspace 9000-04-8 Ferula assafoetida L., fam. Apiaceae (Umbelliferae) 0.04%