1-(4-Methoxyphenyl)propane-2-thiol

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  • Identifiers

    CAS number
    36427-87-9

    Molecular formula
    C10H14OS

    SMILES
    CC(CC1=CC=C(C=C1)OC)S

  • Odor profile

    Fragrance
    Floral 65.99%
    Sulfurous 62.37%
    Meaty 54.29%
    Roasted 50.49%
    Fruity 41.8%
    Tropical 41.26%
    Burnt 39.99%
    Grapefruit 36.79%
    Savory 33.52%
    Coffee 32.6%

     

    Flavor
    Sulfurous 51.87%
    Meaty 49.32%
    Sweet 44.02%
    Floral 42.28%
    Spicy 37.98%
    Tropical 34.46%
    Mild 32.79%
    Roasted 30.03%
    Fruity 29.82%
    Sulfury 29.08%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.95 (neutral)

    Molecular weight
    182.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    259°C

    Flash point

    • 90.59 ˚C est.

  • Synonyms

    • 1-(4-methoxyphenyl)propane-2-thiol
    • 36427-87-9
    • SCHEMBL20002966
    • AKOS012576467
    • CS-0279040
    • EN300-1288728

  • Applications

    1-(4-Methoxyphenyl)propane-2-thiol (CAS 36427-87-9) is primarily used as an odor-active intermediate in fragrance and flavor chemistry. In perfumery, it can serve as a fragrance ingredient or precursor for more complex aroma compounds. It is also evaluated for cosmetic and personal-care formulations as an odorant component. In household products, it may be employed to impart characteristic notes in cleaners and air fresheners. In industrial manufacturing it functions as a sulfur-containing aryl building block for the synthesis of specialty aroma compounds and related intermediates. Additionally, it can act as a reactive reagent in thiol-ene or related chemistries for coatings, inks, or polymer formulations, where thiol functionality enables cross-linking or functionalization. The use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1222.06
    methanol 919.87
    isopropanol 774.73
    water 0.59
    ethyl acetate 1336.09
    n-propanol 866.0
    acetone 2051.45
    n-butanol 777.73
    acetonitrile 1056.66
    DMF 1056.83
    toluene 427.15
    isobutanol 528.76
    1,4-dioxane 1943.55
    methyl acetate 1319.06
    THF 1828.98
    2-butanone 1416.77
    n-pentanol 550.63
    sec-butanol 649.52
    n-hexane 57.82
    ethylene glycol 326.48
    NMP 731.84
    cyclohexane 80.57
    DMSO 1997.7
    n-butyl acetate 672.08
    n-octanol 195.77
    chloroform 2388.62
    n-propyl acetate 620.1
    acetic acid 886.72
    dichloromethane 2170.25
    cyclohexanone 1054.62
    propylene glycol 529.84
    isopropyl acetate 504.89
    DMAc 812.62
    2-ethoxyethanol 1007.53
    isopentanol 559.83
    n-heptane 34.93
    ethyl formate 548.0
    1,2-dichloroethane 1603.13
    n-hexanol 525.08
    2-methoxyethanol 1445.19
    isobutyl acetate 352.44
    tetrachloromethane 321.46
    n-pentyl acetate 285.33
    transcutol 3271.04
    n-heptanol 176.35
    ethylbenzene 182.29
    MIBK 436.33
    2-propoxyethanol 941.13
    tert-butanol 889.93
    MTBE 909.47
    2-butoxyethanol 390.91
    propionic acid 632.0
    o-xylene 214.15
    formic acid 298.25
    diethyl ether 1236.42
    m-xylene 247.36
    p-xylene 209.25
    chlorobenzene 583.12
    dimethyl carbonate 333.75
    n-octane 13.83
    formamide 524.18
    cyclopentanone 1236.63
    2-pentanone 1024.23
    anisole 528.47
    cyclopentyl methyl ether 770.75
    gamma-butyrolactone 1134.6
    1-methoxy-2-propanol 977.78
    pyridine 1023.62
    3-pentanone 727.21
    furfural 1015.33
    n-dodecane 12.53
    diethylene glycol 827.32
    diisopropyl ether 227.76
    tert-amyl alcohol 664.79
    acetylacetone 958.63
    n-hexadecane 14.7
    acetophenone 377.56
    methyl propionate 915.75
    isopentyl acetate 506.64
    trichloroethylene 2867.78
    n-nonanol 161.69
    cyclohexanol 546.53
    benzyl alcohol 402.52
    2-ethylhexanol 267.35
    isooctanol 141.04
    dipropyl ether 310.33
    1,2-dichlorobenzene 449.29
    ethyl lactate 241.57
    propylene carbonate 547.19
    n-methylformamide 633.62
    2-pentanol 489.37
    n-pentane 49.46
    1-propoxy-2-propanol 584.07
    1-methoxy-2-propyl acetate 607.89
    2-(2-methoxypropoxy) propanol 431.45
    mesitylene 132.33
    ε-caprolactone 809.33
    p-cymene 108.78
    epichlorohydrin 1845.96
    1,1,1-trichloroethane 1351.99
    2-aminoethanol 549.11
    morpholine-4-carbaldehyde 1047.23
    sulfolane 1223.04
    2,2,4-trimethylpentane 35.06
    2-methyltetrahydrofuran 1360.39
    n-hexyl acetate 424.31
    isooctane 29.83
    2-(2-butoxyethoxy)ethanol 650.63
    sec-butyl acetate 368.49
    tert-butyl acetate 564.1
    decalin 43.82
    glycerin 545.21
    diglyme 1181.93
    acrylic acid 519.18
    isopropyl myristate 142.19
    n-butyric acid 729.31
    acetyl acetate 570.07
    di(2-ethylhexyl) phthalate 145.47
    ethyl propionate 445.89
    nitromethane 1639.9
    1,2-diethoxyethane 973.46
    benzonitrile 459.56
    trioctyl phosphate 104.08
    1-bromopropane 795.93
    gamma-valerolactone 1393.72
    n-decanol 120.44
    triethyl phosphate 157.68
    4-methyl-2-pentanol 237.65
    propionitrile 616.88
    vinylene carbonate 514.04
    1,1,2-trichlorotrifluoroethane 1094.64
    DMS 417.62
    cumene 115.26
    2-octanol 121.21
    2-hexanone 596.46
    octyl acetate 186.01
    limonene 169.53
    1,2-dimethoxyethane 1204.47
    ethyl orthosilicate 164.06
    tributyl phosphate 149.06
    diacetone alcohol 607.96
    N,N-dimethylaniline 248.58
    acrylonitrile 681.76
    aniline 537.7
    1,3-propanediol 703.25
    bromobenzene 608.74
    dibromomethane 1369.58
    1,1,2,2-tetrachloroethane 2009.68
    2-methyl-cyclohexyl acetate 265.63
    tetrabutyl urea 163.62
    diisobutyl methanol 144.24
    2-phenylethanol 387.58
    styrene 259.45
    dioctyl adipate 211.63
    dimethyl sulfate 461.42
    ethyl butyrate 357.83
    methyl lactate 346.02
    butyl lactate 249.12
    diethyl carbonate 234.61
    propanediol butyl ether 475.29
    triethyl orthoformate 239.42
    p-tert-butyltoluene 110.77
    methyl 4-tert-butylbenzoate 261.96
    morpholine 2017.32
    tert-butylamine 489.05
    n-dodecanol 93.28
    dimethoxymethane 904.76
    ethylene carbonate 442.17
    cyrene 360.49
    2-ethoxyethyl acetate 587.98
    2-ethylhexyl acetate 383.86
    1,2,4-trichlorobenzene 581.55
    4-methylpyridine 951.31
    dibutyl ether 272.29
    2,6-dimethyl-4-heptanol 144.24
    DEF 703.97
    dimethyl isosorbide 564.21
    tetrachloroethylene 1140.7
    eugenol 292.56
    triacetin 447.26
    span 80 341.57
    1,4-butanediol 344.25
    1,1-dichloroethane 1539.0
    2-methyl-1-pentanol 427.78
    methyl formate 535.68
    2-methyl-1-butanol 520.97
    n-decane 22.11
    butyronitrile 603.65
    3,7-dimethyl-1-octanol 211.57
    1-chlorooctane 132.16
    1-chlorotetradecane 48.23
    n-nonane 21.99
    undecane 16.02
    tert-butylcyclohexane 43.94
    cyclooctane 27.12
    cyclopentanol 509.14
    tetrahydropyran 1516.06
    tert-amyl methyl ether 546.31
    2,5,8-trioxanonane 706.9
    1-hexene 261.86
    2-isopropoxyethanol 633.32
    2,2,2-trifluoroethanol 290.84
    methyl butyrate 536.71

    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