3-Phenylpropane-1-thiol

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  • Identifiers

    CAS number
    24734-68-7

    Molecular formula
    C9H12S

    SMILES
    C1=CC=C(C=C1)CCCS

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sulfurous 87.62%
    Meaty 66.76%
    Roasted 56.93%
    Burnt 52.51%
    Savory 50.38%
    Fatty 49.78%
    Vegetable 48.35%
    Garlic 45.19%
    Onion 44.97%
    Alliaceous 44.23%

     

    Flavor
    Sulfurous 55.22%
    Meaty 49.43%
    Onion 37.38%
    Garlic 36.14%
    Fishy 35.82%
    Roasted 34.68%
    Metallic 33.89%
    Burnt 30.44%
    Sulfury 30.23%
    Green 28.67%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.54 (weak base)

    Molecular weight
    152.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    234°C

    Flash point

    • 92.67 ˚C est.

  • Synonyms

    • Benzenepropanethiol
    • 3-Phenylpropane-1-thiol
    • 3-Phenyl-1-propanethiol
    • 3-Phenylpropyl mercaptan
    • 3-Phenylpropanethiol
    • 3-Phenylpropylthiol
    • EINECS 246-440-9
    • 8A56UF58KZ
    • 1-Propanethiol, 3-phenyl-
    • .gamma.-Phenylpropyl mercaptan
    • DTXSID20179464
    • RefChem:95339
    • gamma-Phenylpropyl mercaptan
    • DTXCID50101955
    • IUSDGVJFDZRIBR-UHFFFAOYSA-N
    • 24734-68-7
    • 3-phenylpropyl thiol
    • MFCD00004903
    • 3-Phenylpropylmercaptan
    • 3-phenyl-propane-1-thiol
    • UNII-8A56UF58KZ
    • SCHEMBL80775
    • SCHEMBL129574
    • SCHEMBL242133
    • SCHEMBL2547087
    • SCHEMBL6940899
    • SCHEMBL7301824
    • SCHEMBL10381479
    • ZAA73468
    • AKOS000169777
    • NS00027728
    • EN300-74954
    • G67188
    • 24734-68-7

  • Applications

    3-Phenylpropane-1-thiol can serve as an organosulfur intermediate and an odorant in perfumery, contributing to sulfur- and phenyl-based notes. It is commonly evaluated as a building block for thioether and disulfide syntheses, enabling downstream derivatives for pharmaceuticals and specialty chemicals. It may function as a thiol-functional monomer or chain-transfer reagent in thiol-ene polymerization, supporting applications in coatings, inks, and adhesive formulations. In the cosmetics/personal care domain it may be explored as a fragrance ingredient, and in flavor or food contexts as a potential aroma precursor under regulatory constraints. Its use as an industrial synthesis intermediate for sulfur-containing compounds is typical, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 665.29
    methanol 490.23
    isopropanol 460.68
    water 0.1
    ethyl acetate 1000.92
    n-propanol 548.35
    acetone 1618.96
    n-butanol 504.88
    acetonitrile 777.17
    DMF 813.3
    toluene 607.83
    isobutanol 343.26
    1,4-dioxane 2055.23
    methyl acetate 783.6
    THF 1834.83
    2-butanone 1113.75
    n-pentanol 364.54
    sec-butanol 387.23
    n-hexane 153.38
    ethylene glycol 94.18
    NMP 509.9
    cyclohexane 280.3
    DMSO 1392.49
    n-butyl acetate 850.02
    n-octanol 165.27
    chloroform 1862.46
    n-propyl acetate 565.44
    acetic acid 407.83
    dichloromethane 1850.87
    cyclohexanone 1249.63
    propylene glycol 126.29
    isopropyl acetate 403.59
    DMAc 469.5
    2-ethoxyethanol 406.16
    isopentanol 358.63
    n-heptane 164.86
    ethyl formate 420.7
    1,2-dichloroethane 1377.41
    n-hexanol 544.19
    2-methoxyethanol 702.24
    isobutyl acetate 332.81
    tetrachloromethane 318.56
    n-pentyl acetate 268.93
    transcutol 1738.33
    n-heptanol 179.13
    ethylbenzene 214.81
    MIBK 364.01
    2-propoxyethanol 592.85
    tert-butanol 471.84
    MTBE 642.53
    2-butoxyethanol 278.93
    propionic acid 358.61
    o-xylene 218.75
    formic acid 67.67
    diethyl ether 1364.66
    m-xylene 256.07
    p-xylene 235.69
    chlorobenzene 591.74
    dimethyl carbonate 198.25
    n-octane 44.7
    formamide 127.07
    cyclopentanone 1197.2
    2-pentanone 868.91
    anisole 408.61
    cyclopentyl methyl ether 709.49
    gamma-butyrolactone 917.44
    1-methoxy-2-propanol 455.46
    pyridine 1499.17
    3-pentanone 666.47
    furfural 721.12
    n-dodecane 28.47
    diethylene glycol 343.9
    diisopropyl ether 234.0
    tert-amyl alcohol 321.82
    acetylacetone 731.05
    n-hexadecane 33.3
    acetophenone 318.24
    methyl propionate 581.73
    isopentyl acetate 519.62
    trichloroethylene 1979.85
    n-nonanol 145.58
    cyclohexanol 415.27
    benzyl alcohol 256.57
    2-ethylhexanol 307.81
    isooctanol 139.76
    dipropyl ether 730.07
    1,2-dichlorobenzene 407.02
    ethyl lactate 139.27
    propylene carbonate 486.6
    n-methylformamide 315.04
    2-pentanol 313.53
    n-pentane 133.04
    1-propoxy-2-propanol 454.69
    1-methoxy-2-propyl acetate 462.58
    2-(2-methoxypropoxy) propanol 245.52
    mesitylene 153.99
    ε-caprolactone 770.48
    p-cymene 132.15
    epichlorohydrin 1154.32
    1,1,1-trichloroethane 992.1
    2-aminoethanol 170.54
    morpholine-4-carbaldehyde 723.84
    sulfolane 873.12
    2,2,4-trimethylpentane 42.69
    2-methyltetrahydrofuran 1224.0
    n-hexyl acetate 325.51
    isooctane 37.96
    2-(2-butoxyethoxy)ethanol 370.59
    sec-butyl acetate 286.77
    tert-butyl acetate 378.31
    decalin 78.95
    glycerin 166.59
    diglyme 833.73
    acrylic acid 262.02
    isopropyl myristate 143.11
    n-butyric acid 569.66
    acetyl acetate 425.46
    di(2-ethylhexyl) phthalate 110.38
    ethyl propionate 369.82
    nitromethane 720.87
    1,2-diethoxyethane 876.05
    benzonitrile 394.86
    trioctyl phosphate 89.72
    1-bromopropane 976.71
    gamma-valerolactone 1050.18
    n-decanol 110.2
    triethyl phosphate 140.65
    4-methyl-2-pentanol 157.26
    propionitrile 550.67
    vinylene carbonate 448.13
    1,1,2-trichlorotrifluoroethane 582.11
    DMS 269.21
    cumene 117.16
    2-octanol 113.98
    2-hexanone 585.71
    octyl acetate 160.57
    limonene 237.13
    1,2-dimethoxyethane 987.65
    ethyl orthosilicate 148.81
    tributyl phosphate 111.37
    diacetone alcohol 324.03
    N,N-dimethylaniline 211.18
    acrylonitrile 543.28
    aniline 422.68
    1,3-propanediol 287.57
    bromobenzene 707.7
    dibromomethane 1314.6
    1,1,2,2-tetrachloroethane 1311.7
    2-methyl-cyclohexyl acetate 251.81
    tetrabutyl urea 153.43
    diisobutyl methanol 169.43
    2-phenylethanol 281.04
    styrene 346.89
    dioctyl adipate 183.48
    dimethyl sulfate 261.01
    ethyl butyrate 490.29
    methyl lactate 157.63
    butyl lactate 173.98
    diethyl carbonate 266.9
    propanediol butyl ether 214.61
    triethyl orthoformate 282.98
    p-tert-butyltoluene 125.64
    methyl 4-tert-butylbenzoate 203.21
    morpholine 1873.71
    tert-butylamine 335.35
    n-dodecanol 91.6
    dimethoxymethane 765.47
    ethylene carbonate 419.03
    cyrene 212.13
    2-ethoxyethyl acetate 390.32
    2-ethylhexyl acetate 421.81
    1,2,4-trichlorobenzene 452.81
    4-methylpyridine 975.59
    dibutyl ether 383.87
    2,6-dimethyl-4-heptanol 169.43
    DEF 658.0
    dimethyl isosorbide 385.49
    tetrachloroethylene 956.18
    eugenol 204.51
    triacetin 279.7
    span 80 230.12
    1,4-butanediol 109.05
    1,1-dichloroethane 1198.83
    2-methyl-1-pentanol 265.87
    methyl formate 277.76
    2-methyl-1-butanol 320.18
    n-decane 51.04
    butyronitrile 621.11
    3,7-dimethyl-1-octanol 168.72
    1-chlorooctane 164.34
    1-chlorotetradecane 67.92
    n-nonane 54.59
    undecane 36.65
    tert-butylcyclohexane 64.61
    cyclooctane 86.26
    cyclopentanol 387.78
    tetrahydropyran 2106.85
    tert-amyl methyl ether 349.42
    2,5,8-trioxanonane 491.73
    1-hexene 514.4
    2-isopropoxyethanol 294.96
    2,2,2-trifluoroethanol 101.44
    methyl butyrate 501.15

    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