Propyl 2-mercaptopropionate

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  • Identifiers

    CAS number
    19788-50-2

    Molecular formula
    C6H12O2S

    SMILES
    CCCOC(=O)C(C)S

  • Odor profile

    Fragrance
    Fruity 82.7%
    Sulfurous 79.05%
    Tropical 71.04%
    Meaty 65.28%
    Roasted 50.69%
    Savory 41.67%
    Onion 41.6%
    Black currant 37.29%
    Cheesy 34.79%
    Green 32.69%

     

    Flavor
    Fruity 74.19%
    Berry 32.88%
    Tropical 32.67%
    Sweet 31.97%
    Cheese 28.79%
    Creamy 27.13%
    Pineapple 24.85%
    Grape 24.77%
    Ripe 23.51%
    Buttery 23.0%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    6.92 (neutral)

    Molecular weight
    148.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 193.00 °C. @ 760.00 mm Hg

    Flash point

    • 57.94 ˚C est.

    Solubility expt.

    • slightly
    • Sparingly soluble in water; soluble in pentane and diethyl ether
    • Soluble (in ethanol)

  • Synonyms

    • Propyl 2-mercaptopropionate
    • 19788-50-2
    • PROPYL 2-SULFANYLPROPANOATE
    • Propanoic acid, 2-mercapto-, propyl ester
    • FEMA No. 4207
    • Propyl 2-mercaptopropionate [FHFI]
    • A6API9I47Z
    • Propionic acid, 2-mercapto-, propyl ester
    • PROPYL2-MERCAPTOPROPIONATE
    • (+-)-Propyl 2-mercaptopropionate
    • Propyl 2-mercaptopropionate, (+-)-
    • (+/-)-PROPYL 2-MERCAPTOPROPIONATE
    • PROPYL 2-MERCAPTOPROPIONATE, (+/-)-
    • UNII-A6API9I47Z
    • propyl 2-sulanylpropanoate
    • SCHEMBL2135774
    • DTXSID70941577
    • CHEBI:193663
    • AKOS025396819
    • NS00125487
    • Q27273688
    • 639-015-8

  • Applications

    Propyl 2-mercaptopropionate (CAS 19788-50-2) is a versatile sulfur-containing building block used in chemical synthesis. In industrial manufacturing, it serves as an intermediate to access thioester and thioether derivatives and can act as a reactive precursor for further functionalization. In perfumery and cosmetics, it is evaluated as a fragrance intermediate that can contribute sulfur notes upon derivatization. In polymer chemistry, it may function as a chain-transfer agent or monomer modifier in radical polymerizations to help control molecular weight and incorporate thiol functionality into polymers. In coatings, inks, and adhesives, it may be used as a reactive intermediate for thiol-ester linkages to tune crosslinking behavior, subject to formulation constraints and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1059.95
    methanol 1542.31
    isopropanol 752.18
    water 14.45
    ethyl acetate 306.65
    n-propanol 679.59
    acetone 707.13
    n-butanol 676.84
    acetonitrile 627.53
    DMF 1005.23
    toluene 216.01
    isobutanol 490.59
    1,4-dioxane 764.13
    methyl acetate 438.09
    THF 758.15
    2-butanone 535.0
    n-pentanol 589.78
    sec-butanol 628.54
    n-hexane 84.18
    ethylene glycol 294.78
    NMP 705.79
    cyclohexane 112.37
    DMSO 957.91
    n-butyl acetate 419.13
    n-octanol 346.21
    chloroform 1333.54
    n-propyl acetate 347.58
    acetic acid 979.74
    dichloromethane 1231.39
    cyclohexanone 612.9
    propylene glycol 308.87
    isopropyl acetate 201.14
    DMAc 794.89
    2-ethoxyethanol 736.65
    isopentanol 491.18
    n-heptane 66.8
    ethyl formate 397.67
    1,2-dichloroethane 599.75
    n-hexanol 459.76
    2-methoxyethanol 959.13
    isobutyl acetate 216.17
    tetrachloromethane 196.19
    n-pentyl acetate 299.23
    transcutol 1105.87
    n-heptanol 274.41
    ethylbenzene 205.62
    MIBK 234.49
    2-propoxyethanol 592.13
    tert-butanol 708.03
    MTBE 453.15
    2-butoxyethanol 429.85
    propionic acid 440.56
    o-xylene 191.15
    formic acid 462.89
    diethyl ether 361.55
    m-xylene 162.28
    p-xylene 303.03
    chlorobenzene 347.82
    dimethyl carbonate 120.93
    n-octane 41.22
    formamide 514.53
    cyclopentanone 624.6
    2-pentanone 387.76
    anisole 350.46
    cyclopentyl methyl ether 295.2
    gamma-butyrolactone 632.66
    1-methoxy-2-propanol 563.49
    pyridine 632.37
    3-pentanone 274.21
    furfural 768.97
    n-dodecane 42.01
    diethylene glycol 494.35
    diisopropyl ether 110.8
    tert-amyl alcohol 605.66
    acetylacetone 349.02
    n-hexadecane 45.48
    acetophenone 391.7
    methyl propionate 261.72
    isopentyl acetate 358.13
    trichloroethylene 1128.87
    n-nonanol 277.43
    cyclohexanol 463.64
    benzyl alcohol 416.83
    2-ethylhexanol 292.82
    isooctanol 221.13
    dipropyl ether 239.94
    1,2-dichlorobenzene 325.78
    ethyl lactate 186.39
    propylene carbonate 384.8
    n-methylformamide 567.78
    2-pentanol 405.84
    n-pentane 86.82
    1-propoxy-2-propanol 421.46
    1-methoxy-2-propyl acetate 256.06
    2-(2-methoxypropoxy) propanol 380.91
    mesitylene 112.41
    ε-caprolactone 520.33
    p-cymene 146.97
    epichlorohydrin 729.77
    1,1,1-trichloroethane 534.48
    2-aminoethanol 460.16
    morpholine-4-carbaldehyde 747.66
    sulfolane 685.94
    2,2,4-trimethylpentane 52.74
    2-methyltetrahydrofuran 619.14
    n-hexyl acetate 423.04
    isooctane 35.97
    2-(2-butoxyethoxy)ethanol 500.67
    sec-butyl acetate 203.62
    tert-butyl acetate 231.0
    decalin 63.68
    glycerin 393.96
    diglyme 829.1
    acrylic acid 461.71
    isopropyl myristate 174.75
    n-butyric acid 524.88
    acetyl acetate 212.15
    di(2-ethylhexyl) phthalate 181.18
    ethyl propionate 233.82
    nitromethane 993.39
    1,2-diethoxyethane 414.5
    benzonitrile 535.5
    trioctyl phosphate 149.64
    1-bromopropane 408.93
    gamma-valerolactone 780.49
    n-decanol 205.96
    triethyl phosphate 142.18
    4-methyl-2-pentanol 213.84
    propionitrile 437.05
    vinylene carbonate 421.87
    1,1,2-trichlorotrifluoroethane 605.63
    DMS 229.31
    cumene 152.48
    2-octanol 236.33
    2-hexanone 445.18
    octyl acetate 233.35
    limonene 208.46
    1,2-dimethoxyethane 1007.27
    ethyl orthosilicate 143.13
    tributyl phosphate 170.36
    diacetone alcohol 299.28
    N,N-dimethylaniline 279.47
    acrylonitrile 588.0
    aniline 290.77
    1,3-propanediol 611.75
    bromobenzene 334.58
    dibromomethane 802.37
    1,1,2,2-tetrachloroethane 814.76
    2-methyl-cyclohexyl acetate 256.89
    tetrabutyl urea 223.4
    diisobutyl methanol 159.17
    2-phenylethanol 332.05
    styrene 263.33
    dioctyl adipate 250.53
    dimethyl sulfate 194.29
    ethyl butyrate 284.38
    methyl lactate 174.83
    butyl lactate 244.84
    diethyl carbonate 204.7
    propanediol butyl ether 450.27
    triethyl orthoformate 191.09
    p-tert-butyltoluene 130.31
    methyl 4-tert-butylbenzoate 283.73
    morpholine 797.41
    tert-butylamine 498.65
    n-dodecanol 161.99
    dimethoxymethane 432.01
    ethylene carbonate 318.17
    cyrene 331.17
    2-ethoxyethyl acetate 334.69
    2-ethylhexyl acetate 286.87
    1,2,4-trichlorobenzene 409.69
    4-methylpyridine 648.15
    dibutyl ether 289.18
    2,6-dimethyl-4-heptanol 159.17
    DEF 460.89
    dimethyl isosorbide 443.06
    tetrachloroethylene 576.67
    eugenol 337.78
    triacetin 344.2
    span 80 343.63
    1,4-butanediol 384.16
    1,1-dichloroethane 629.58
    2-methyl-1-pentanol 486.24
    methyl formate 436.7
    2-methyl-1-butanol 479.14
    n-decane 64.39
    butyronitrile 530.55
    3,7-dimethyl-1-octanol 284.8
    1-chlorooctane 202.5
    1-chlorotetradecane 91.86
    n-nonane 62.95
    undecane 50.58
    tert-butylcyclohexane 64.3
    cyclooctane 37.41
    cyclopentanol 480.74
    tetrahydropyran 610.71
    tert-amyl methyl ether 347.03
    2,5,8-trioxanonane 594.13
    1-hexene 287.59
    2-isopropoxyethanol 466.0
    2,2,2-trifluoroethanol 270.19
    methyl butyrate 397.85

    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