S-Methyl propanethioate

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  • Identifiers

    CAS number
    5925-75-7

    Molecular formula
    C4H8OS

    SMILES
    CCC(=O)SC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Sulfurous 74.45%
    Vegetable 64.48%
    Cheesy 63.17%
    Cabbage 56.41%
    Onion 53.59%
    Garlic 51.27%
    Alliaceous 47.73%
    Tomato 44.37%
    Dairy 43.18%
    Potato 40.99%

     

    Flavor
    Sulfurous 63.97%
    Garlic 54.73%
    Onion 49.99%
    Cabbage 40.24%
    Cheese 40.22%
    Sulfury 37.52%
    Vegetable 35.8%
    Alliaceous 35.52%
    Mustard 33.35%
    Tomato 32.01%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    8.44 (weak base)

    Molecular weight
    104.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 120.00 °C. @ 760.00 mm Hg

    Flash point

    • 31.55 ˚C est.

    Solubility expt.

    • slightly
    • Insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • S-Methyl propanethioate
    • s-methyl thiopropionate
    • 5925-75-7
    • S-Methyl thiopropanoate
    • FEMA No. 4172
    • 3WP1B49B1P
    • S-Methyl propanethioate [FHFI]
    • Propanethioic acid, S-methyl ester
    • UNII-3WP1B49B1P
    • Propionic acid, thio-, S-methyl ester
    • S-METHYL PROPANTHIOATE
    • 1-(methylsulfanyl)propan-1-one
    • DTXSID801020172
    • MFCD00040063
    • S-Methyl methylthiopropionate
    • SCHEMBL1245998
    • CHEBI:179441
    • DTXCID101478021
    • AKOS006272057
    • AS-87515
    • M3279
    • Q27258146
    • 639-123-5

  • Applications

    S-Methyl propanethioate is primarily used as an aroma compound and flavor ingredient, contributing fruity or green notes in fragrance and flavor formulations. It is commonly evaluated as a fragrance raw material for cosmetics and personal care products, and may be incorporated into household and cleaning products to impart scent. In industrial manufacturing, it can serve as an intermediate in the synthesis of sulfur-containing esters or as a precursor to related thioester derivatives. It may also function as a specialized odorant in flavor and fragrance development, with formulations governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 653.89
    methanol 1051.94
    isopropanol 406.78
    water 16.67
    ethyl acetate 416.89
    n-propanol 451.93
    acetone 602.35
    n-butanol 413.18
    acetonitrile 689.66
    DMF 821.93
    toluene 239.58
    isobutanol 323.34
    1,4-dioxane 770.65
    methyl acetate 498.73
    THF 808.97
    2-butanone 523.03
    n-pentanol 380.95
    sec-butanol 393.59
    n-hexane 83.98
    ethylene glycol 166.42
    NMP 945.34
    cyclohexane 88.25
    DMSO 769.41
    n-butyl acetate 400.72
    n-octanol 228.71
    chloroform 1374.14
    n-propyl acetate 346.57
    acetic acid 883.57
    dichloromethane 1240.71
    cyclohexanone 721.33
    propylene glycol 146.11
    isopropyl acetate 255.58
    DMAc 654.87
    2-ethoxyethanol 587.0
    isopentanol 344.38
    n-heptane 62.17
    ethyl formate 380.54
    1,2-dichloroethane 642.65
    n-hexanol 302.4
    2-methoxyethanol 762.5
    isobutyl acetate 199.85
    tetrachloromethane 394.1
    n-pentyl acetate 366.56
    transcutol 1714.7
    n-heptanol 202.56
    ethylbenzene 177.88
    MIBK 254.65
    2-propoxyethanol 508.93
    tert-butanol 447.64
    MTBE 368.2
    2-butoxyethanol 407.34
    propionic acid 491.71
    o-xylene 208.51
    formic acid 487.65
    diethyl ether 394.33
    m-xylene 174.53
    p-xylene 246.73
    chlorobenzene 476.69
    dimethyl carbonate 132.97
    n-octane 35.73
    formamide 656.92
    cyclopentanone 800.74
    2-pentanone 393.22
    anisole 410.85
    cyclopentyl methyl ether 391.76
    gamma-butyrolactone 887.57
    1-methoxy-2-propanol 463.8
    pyridine 788.68
    3-pentanone 305.81
    furfural 1075.36
    n-dodecane 25.48
    diethylene glycol 377.0
    diisopropyl ether 132.29
    tert-amyl alcohol 422.61
    acetylacetone 445.55
    n-hexadecane 28.6
    acetophenone 415.06
    methyl propionate 316.96
    isopentyl acetate 329.47
    trichloroethylene 1350.53
    n-nonanol 194.52
    cyclohexanol 360.81
    benzyl alcohol 377.07
    2-ethylhexanol 211.38
    isooctanol 172.7
    dipropyl ether 223.1
    1,2-dichlorobenzene 508.78
    ethyl lactate 146.91
    propylene carbonate 458.2
    n-methylformamide 603.72
    2-pentanol 287.15
    n-pentane 73.6
    1-propoxy-2-propanol 361.91
    1-methoxy-2-propyl acetate 318.84
    2-(2-methoxypropoxy) propanol 343.83
    mesitylene 121.9
    ε-caprolactone 655.43
    p-cymene 143.43
    epichlorohydrin 880.88
    1,1,1-trichloroethane 713.96
    2-aminoethanol 318.7
    morpholine-4-carbaldehyde 952.79
    sulfolane 949.21
    2,2,4-trimethylpentane 48.58
    2-methyltetrahydrofuran 676.71
    n-hexyl acetate 438.15
    isooctane 31.0
    2-(2-butoxyethoxy)ethanol 503.91
    sec-butyl acetate 220.42
    tert-butyl acetate 303.63
    decalin 63.54
    glycerin 222.13
    diglyme 952.42
    acrylic acid 451.27
    isopropyl myristate 157.64
    n-butyric acid 580.56
    acetyl acetate 310.01
    di(2-ethylhexyl) phthalate 161.6
    ethyl propionate 254.41
    nitromethane 1137.79
    1,2-diethoxyethane 581.8
    benzonitrile 617.76
    trioctyl phosphate 114.68
    1-bromopropane 393.77
    gamma-valerolactone 1035.44
    n-decanol 135.38
    triethyl phosphate 153.21
    4-methyl-2-pentanol 169.53
    propionitrile 463.54
    vinylene carbonate 490.18
    1,1,2-trichlorotrifluoroethane 645.55
    DMS 309.9
    cumene 145.02
    2-octanol 167.29
    2-hexanone 373.63
    octyl acetate 194.69
    limonene 200.27
    1,2-dimethoxyethane 793.23
    ethyl orthosilicate 156.75
    tributyl phosphate 155.41
    diacetone alcohol 334.26
    N,N-dimethylaniline 285.47
    acrylonitrile 617.78
    aniline 373.96
    1,3-propanediol 441.48
    bromobenzene 458.39
    dibromomethane 818.7
    1,1,2,2-tetrachloroethane 938.78
    2-methyl-cyclohexyl acetate 238.48
    tetrabutyl urea 197.87
    diisobutyl methanol 131.12
    2-phenylethanol 340.56
    styrene 257.8
    dioctyl adipate 226.73
    dimethyl sulfate 222.58
    ethyl butyrate 291.64
    methyl lactate 166.05
    butyl lactate 255.5
    diethyl carbonate 200.43
    propanediol butyl ether 331.47
    triethyl orthoformate 215.85
    p-tert-butyltoluene 126.29
    methyl 4-tert-butylbenzoate 315.48
    morpholine 809.07
    tert-butylamine 304.4
    n-dodecanol 101.25
    dimethoxymethane 424.22
    ethylene carbonate 364.2
    cyrene 320.21
    2-ethoxyethyl acetate 491.31
    2-ethylhexyl acetate 281.83
    1,2,4-trichlorobenzene 566.98
    4-methylpyridine 774.52
    dibutyl ether 286.13
    2,6-dimethyl-4-heptanol 131.12
    DEF 511.79
    dimethyl isosorbide 559.7
    tetrachloroethylene 788.87
    eugenol 364.65
    triacetin 393.36
    span 80 310.34
    1,4-butanediol 232.16
    1,1-dichloroethane 675.08
    2-methyl-1-pentanol 326.15
    methyl formate 409.09
    2-methyl-1-butanol 340.24
    n-decane 44.96
    butyronitrile 495.83
    3,7-dimethyl-1-octanol 218.39
    1-chlorooctane 164.46
    1-chlorotetradecane 63.73
    n-nonane 46.73
    undecane 31.82
    tert-butylcyclohexane 66.72
    cyclooctane 36.51
    cyclopentanol 402.14
    tetrahydropyran 558.49
    tert-amyl methyl ether 308.24
    2,5,8-trioxanonane 612.22
    1-hexene 225.3
    2-isopropoxyethanol 390.88
    2,2,2-trifluoroethanol 325.71
    methyl butyrate 375.27

    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) 0.07%