Propyl mercaptan

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  • Identifiers

    CAS number
    107-03-9

    Molecular formula
    C3H8S

    SMILES
    CCCS

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Sulfurous 88.69%
    Onion 75.94%
    Meaty 73.08%
    Garlic 71.12%
    Vegetable 62.48%
    Alliaceous 62.32%
    Savory 55.91%
    Cabbage 50.59%
    Sweet 49.83%
    Cooked 46.01%

    Scent© AI

    Odor threshold

    • 0.00075 ppm
    • It has an odor threshold close to 0.0016 ppm, and is easily noticeable at 0.36 ppm.

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    10.88 (weak base)

    Molecular weight
    76.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -171 °F (USCG, 1999)
    • -113.3 °C
    • -113 °C
    • -172 °F

    Boiling point

    • 153 °F at 760 mmHg (USCG, 1999)
    • 67.8 °C
    • 67.00 to 68.00 °C. @ 760.00 mm Hg
    • 68 °C
    • 153 °F

    Flash point est.
    -11.63 ˚C

    Flash point expt.

    • 5 °F (USCG, 1999)
    • -20 °C
    • -5 °F; -20.5 °C
    • -5 °F

    Solubility expt.

    • Slight (NIOSH, 2024)
    • Miscible in ethanol, ether; very soluble in acetone
    • SOL IN PROPYLENE GLYCOL
    • Soluble in ethanol, ether, acetone, benzene
    • In water, 1.90X10+3 mg/L at 25 °C
    • 1.9 mg/mL at 25 °C
    • Solubility in water, g/100ml at 25 °C: 0.190
    • soluble in water, alcohol, propylene glycol and oils
    • Slight

  • Synonyms

    • 1-Propanethiol
    • Propane-1-thiol
    • Propanethiol
    • 107-03-9
    • PROPYL MERCAPTAN
    • n-Propylmercaptan
    • n-Propylthiol
    • n-Propyl mercaptan
    • 1-Mercaptopropane
    • 1-Propylmercaptan
    • Propylthiol
    • 1-Propyl mercaptan
    • Thiopropyl alcohol
    • n-Thiopropyl alcohol
    • 1-propylthiol
    • n-propanethiol
    • FEMA No. 3521
    • Mercaptan C3
    • Propanethiols
    • CCRIS 1246
    • 79869-58-2
    • HSDB 1037
    • EINECS 203-455-5
    • BRN 1696860
    • 4AB0N08V2H
    • CHEBI:8473
    • MFCD00004900
    • n-C3H7SH
    • PROPYL MERCAPTAN [FCC]
    • PROPYL MERCAPTAN [FHFI]
    • PROPYL MERCAPTAN [HSDB]
    • DTXSID5026750
    • 4-01-00-01449 (Beilstein Handbook Reference)
    • propylmercaptan
    • propan-1-thiol
    • 3-mercaptopropane
    • propanethiol, sodium salt
    • propanthiol
    • UNII-4AB0N08V2H
    • nPropylthiol
    • propane thiol
    • nPropylmercaptan
    • propyl thiol
    • Propane1thiol
    • 1Mercaptopropane
    • 1Propylmercaptan
    • 1-propanthiol
    • 1-Propanethoil
    • nPropyl mercaptan
    • 1-propane thiol
    • 1-propyl thiol
    • 1Propyl mercaptan
    • nThiopropyl alcohol
    • n-PrSH
    • 1-Propanethiol, 99%
    • 51285-52-0
    • Propyl mercaptan, >=97%
    • 3-Mercaptopropyl Silica Gel
    • DTXCID506750
    • CHEMBL1236818
    • FEMA 3521
    • DTXSID901054720
    • UYB80352
    • Propyl mercaptan, analytical standard
    • AKOS000121933
    • 1-Propanethiol, natural, >=98%, FG
    • M1979
    • NS00020137
    • P0488
    • Propanethiols [UN2402] [Flammable liquid]
    • EN300-31221
    • C08390
    • A801560
    • Q161679
    • F8880-8482
    • 203-455-5

  • Applications

    Propyl mercaptan (CAS 107-03-9) finds widespread use thanks to its intense odor and reactive –SH group: it serves as an odorant for LPG and natural gas leak detection, a chain-transfer agent in rubber and plastic polymerizations, an intermediate for pharmaceuticals, agrochemicals and petroleum additives, a precursor to sulfides, sulfoxides, sulfones, corrosion inhibitors, and at trace levels is exploited in the flavour and fragrance industry to give sulphury grapefruit, onion or roasted coffee notes; it is also employed as a laboratory reagent and in refinery processes such as hydrodesulfurization.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 202.01
    methanol 167.69
    isopropanol 158.56
    water 0.37
    ethyl acetate 173.87
    n-propanol 181.91
    acetone 191.96
    n-butanol 215.37
    acetonitrile 130.75
    DMF 145.22
    toluene 88.24
    isobutanol 116.68
    1,4-dioxane 303.72
    methyl acetate 135.84
    THF 481.72
    2-butanone 179.06
    n-pentanol 136.42
    sec-butanol 165.98
    n-hexane 54.01
    ethylene glycol 39.86
    NMP 147.34
    cyclohexane 80.94
    DMSO 241.59
    n-butyl acetate 290.0
    n-octanol 91.75
    chloroform 385.65
    n-propyl acetate 115.59
    acetic acid 166.84
    dichloromethane 280.94
    cyclohexanone 251.87
    propylene glycol 63.58
    isopropyl acetate 102.2
    DMAc 115.05
    2-ethoxyethanol 136.15
    isopentanol 149.37
    n-heptane 95.45
    ethyl formate 90.12
    1,2-dichloroethane 168.61
    n-hexanol 269.86
    2-methoxyethanol 222.02
    isobutyl acetate 73.28
    tetrachloromethane 114.01
    n-pentyl acetate 118.65
    transcutol 514.75
    n-heptanol 112.73
    ethylbenzene 40.67
    MIBK 93.25
    2-propoxyethanol 271.11
    tert-butanol 184.63
    MTBE 153.61
    2-butoxyethanol 156.55
    propionic acid 130.41
    o-xylene 49.88
    formic acid 34.95
    diethyl ether 231.24
    m-xylene 49.99
    p-xylene 52.87
    chlorobenzene 124.56
    dimethyl carbonate 30.97
    n-octane 26.65
    formamide 43.99
    cyclopentanone 260.53
    2-pentanone 175.55
    anisole 86.26
    cyclopentyl methyl ether 184.96
    gamma-butyrolactone 200.71
    1-methoxy-2-propanol 171.72
    pyridine 266.29
    3-pentanone 121.8
    furfural 207.69
    n-dodecane 15.8
    diethylene glycol 165.45
    diisopropyl ether 61.5
    tert-amyl alcohol 165.43
    acetylacetone 149.6
    n-hexadecane 16.94
    acetophenone 75.21
    methyl propionate 100.03
    isopentyl acetate 178.83
    trichloroethylene 295.45
    n-nonanol 83.96
    cyclohexanol 159.08
    benzyl alcohol 80.59
    2-ethylhexanol 168.2
    isooctanol 83.12
    dipropyl ether 224.48
    1,2-dichlorobenzene 91.63
    ethyl lactate 47.5
    propylene carbonate 120.09
    n-methylformamide 71.24
    2-pentanol 143.05
    n-pentane 65.32
    1-propoxy-2-propanol 233.89
    1-methoxy-2-propyl acetate 144.41
    2-(2-methoxypropoxy) propanol 119.88
    mesitylene 33.99
    ε-caprolactone 188.5
    p-cymene 57.15
    epichlorohydrin 212.74
    1,1,1-trichloroethane 193.6
    2-aminoethanol 82.16
    morpholine-4-carbaldehyde 184.38
    sulfolane 208.57
    2,2,4-trimethylpentane 22.06
    2-methyltetrahydrofuran 319.29
    n-hexyl acetate 125.48
    isooctane 17.07
    2-(2-butoxyethoxy)ethanol 177.68
    sec-butyl acetate 70.74
    tert-butyl acetate 107.37
    decalin 25.2
    glycerin 83.97
    diglyme 292.13
    acrylic acid 97.96
    isopropyl myristate 56.47
    n-butyric acid 218.86
    acetyl acetate 99.58
    di(2-ethylhexyl) phthalate 50.26
    ethyl propionate 83.11
    nitromethane 160.36
    1,2-diethoxyethane 253.43
    benzonitrile 116.93
    trioctyl phosphate 40.93
    1-bromopropane 193.16
    gamma-valerolactone 247.0
    n-decanol 63.4
    triethyl phosphate 57.58
    4-methyl-2-pentanol 71.68
    propionitrile 144.68
    vinylene carbonate 100.16
    1,1,2-trichlorotrifluoroethane 176.16
    DMS 67.38
    cumene 30.25
    2-octanol 70.95
    2-hexanone 135.28
    octyl acetate 72.42
    limonene 99.32
    1,2-dimethoxyethane 215.6
    ethyl orthosilicate 64.28
    tributyl phosphate 50.4
    diacetone alcohol 127.91
    N,N-dimethylaniline 54.03
    acrylonitrile 129.15
    aniline 116.21
    1,3-propanediol 128.45
    bromobenzene 119.88
    dibromomethane 242.5
    1,1,2,2-tetrachloroethane 232.2
    2-methyl-cyclohexyl acetate 96.47
    tetrabutyl urea 65.13
    diisobutyl methanol 86.79
    2-phenylethanol 127.05
    styrene 61.13
    dioctyl adipate 75.94
    dimethyl sulfate 48.62
    ethyl butyrate 167.09
    methyl lactate 53.67
    butyl lactate 83.21
    diethyl carbonate 86.89
    propanediol butyl ether 112.76
    triethyl orthoformate 113.98
    p-tert-butyltoluene 55.6
    methyl 4-tert-butylbenzoate 73.6
    morpholine 337.44
    tert-butylamine 135.48
    n-dodecanol 51.18
    dimethoxymethane 119.11
    ethylene carbonate 86.49
    cyrene 77.34
    2-ethoxyethyl acetate 124.78
    2-ethylhexyl acetate 155.55
    1,2,4-trichlorobenzene 109.05
    4-methylpyridine 195.44
    dibutyl ether 149.65
    2,6-dimethyl-4-heptanol 86.79
    DEF 143.54
    dimethyl isosorbide 166.07
    tetrachloroethylene 188.44
    eugenol 80.31
    triacetin 104.6
    span 80 133.6
    1,4-butanediol 49.2
    1,1-dichloroethane 184.68
    2-methyl-1-pentanol 112.23
    methyl formate 50.47
    2-methyl-1-butanol 140.1
    n-decane 28.8
    butyronitrile 187.14
    3,7-dimethyl-1-octanol 93.02
    1-chlorooctane 65.82
    1-chlorotetradecane 28.26
    n-nonane 30.5
    undecane 20.19
    tert-butylcyclohexane 23.5
    cyclooctane 29.92
    cyclopentanol 161.09
    tetrahydropyran 362.62
    tert-amyl methyl ether 114.68
    2,5,8-trioxanonane 209.85
    1-hexene 135.0
    2-isopropoxyethanol 106.63
    2,2,2-trifluoroethanol 41.79
    methyl butyrate 110.79

    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
Onion (shallot) 8002-72-0 Allium cepa L., Aggregatum g., fam. Liliaceae 0.7%
Onion, welsh 8002-72-0 Allium fistulosum L. var. Maichuon, fam. Liliaceae 0.69%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 0.27%