Methyl 3-mercaptopropionate

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  • Identifiers

    CAS number
    2935-90-2

    Molecular formula
    C4H8O2S

    SMILES
    COC(=O)CCS

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 84.6%
    Sulfurous 75.82%
    Tropical 63.39%
    Cheesy 46.02%
    Meaty 44.34%
    Sweet 42.15%
    Onion 42.11%
    Grape 40.15%
    Fresh 37.25%
    Vegetable 36.89%

     

    Flavor
    Fruity 55.85%
    Sweet 46.6%
    Sulfurous 37.69%
    Cheese 36.41%
    Sulfury 35.83%
    Pineapple 35.6%
    Tropical 32.86%
    Fatty 30.21%
    Onion 28.9%
    Ripe 28.14%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    8.72 (weak base)

    Molecular weight
    120.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    176°C

    Flash point

    • 51.2 ˚C est.

  • Synonyms

    • METHYL 3-MERCAPTOPROPIONATE
    • 2935-90-2
    • Propanoic acid, 3-mercapto-, methyl ester
    • 3-Mercaptopropionic acid methyl ester
    • methyl-3-mercaptopropionate
    • Methyl mercaptopropionate
    • Propionic acid, 3-mercapto-, methyl ester
    • V920F0BCRZ
    • Methyl beta-mercaptopropionate
    • DTXSID6027509
    • NSC-137814
    • DTXCID307509
    • RefChem:815540
    • 220-912-4
    • methyl 3-mercaptopropanoate
    • Methyl 3-sulfanylpropanoate
    • MFCD00004895
    • Methyl .beta.-mercaptopropionate
    • 3-mercapto-propionic acid methyl ester
    • HSDB 5905
    • EINECS 220-912-4
    • UNII-V920F0BCRZ
    • NSC 137814
    • methyl-mercaptopropanoate
    • methyl3-mercaptopropanoate
    • methyl-3-mercaptopropanoate
    • EC 220-912-4
    • methyl 3-mercaptopropionoate
    • methyl 3 -mercaptopropanoate
    • methyl 3-mercapto-propionate
    • Methyl 3-sulfanylpropanoate #
    • SCHEMBL162344
    • SCHEMBL774940
    • CHEMBL3188420
    • SCHEMBL10671548
    • SCHEMBL28724274
    • LDTLDBDUBGAEDT-UHFFFAOYSA-
    • Methyl 3-mercaptopropionate, 98%
    • Tox21_200030
    • NSC137814
    • 3-mercaptopropionic acid, methyl ester
    • AKOS009031173
    • AS-9935
    • NCGC00248499-01
    • NCGC00257584-01
    • CAS-2935-90-2
    • METHYL 3-MERCAPTOPROPIONATE [HSDB]
    • CS-0000049
    • M1434
    • NS00010089
    • EN300-21386
    • D70327
    • F053164
    • Q27291681
    • F0001-0912
    • InChI=1/C4H8O2S/c1-6-4(5)2-3-7/h7H,2-3H2,1H3
    • methyl 3-mercaptopropionate; 3-mercaptopropionic acid methyl ester
    • GYF
    • 2935-90-2

  • Applications

    Methyl 3-mercaptopropionate (CAS 2935-90-2) serves as a reactive thiol-containing building block used primarily in polymer and materials applications. In polymer chemistry it enables thiol-ene and related click chemistries, often as a functional monomer or crosslinker for coatings, adhesives, and sealants. It is also used as an intermediate in the synthesis of sulfur-containing compounds, including systems based on acrylic polymers and other specialty materials. In coatings and inks, it can participate in UV-curable formulations to enhance network formation and performance. The compound is also evaluated as a precursor in fragrance chemistry for sulfur-containing odorants and may be used in pharmaceutical synthesis as a starting material for sulfur-containing structures. Applicability is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 435.02
    methanol 805.94
    isopropanol 280.69
    water 69.89
    ethyl acetate 132.12
    n-propanol 258.23
    acetone 472.48
    n-butanol 200.58
    acetonitrile 408.31
    DMF 804.44
    toluene 43.85
    isobutanol 172.37
    1,4-dioxane 301.77
    methyl acetate 227.55
    THF 319.24
    2-butanone 258.36
    n-pentanol 161.73
    sec-butanol 218.19
    n-hexane 14.92
    ethylene glycol 237.59
    NMP 597.0
    cyclohexane 12.06
    DMSO 745.61
    n-butyl acetate 72.27
    n-octanol 84.87
    chloroform 351.37
    n-propyl acetate 107.27
    acetic acid 624.62
    dichloromethane 359.56
    cyclohexanone 276.31
    propylene glycol 184.69
    isopropyl acetate 84.84
    DMAc 583.51
    2-ethoxyethanol 360.44
    isopentanol 145.83
    n-heptane 9.01
    ethyl formate 166.85
    1,2-dichloroethane 202.59
    n-hexanol 90.22
    2-methoxyethanol 550.11
    isobutyl acetate 66.64
    tetrachloromethane 65.77
    n-pentyl acetate 78.51
    transcutol 497.42
    n-heptanol 66.61
    ethylbenzene 37.38
    MIBK 101.83
    2-propoxyethanol 205.71
    tert-butanol 259.33
    MTBE 137.84
    2-butoxyethanol 153.34
    propionic acid 272.63
    o-xylene 54.56
    formic acid 426.97
    diethyl ether 120.82
    m-xylene 43.78
    p-xylene 61.02
    chlorobenzene 99.98
    dimethyl carbonate 71.91
    n-octane 6.71
    formamide 468.69
    cyclopentanone 382.06
    2-pentanone 169.72
    anisole 116.19
    cyclopentyl methyl ether 125.42
    gamma-butyrolactone 420.73
    1-methoxy-2-propanol 334.69
    pyridine 224.89
    3-pentanone 127.61
    furfural 445.3
    n-dodecane 7.13
    diethylene glycol 248.07
    diisopropyl ether 33.89
    tert-amyl alcohol 206.93
    acetylacetone 217.79
    n-hexadecane 7.75
    acetophenone 141.56
    methyl propionate 135.11
    isopentyl acetate 67.16
    trichloroethylene 416.34
    n-nonanol 71.81
    cyclohexanol 139.69
    benzyl alcohol 144.57
    2-ethylhexanol 52.61
    isooctanol 57.31
    dipropyl ether 46.42
    1,2-dichlorobenzene 107.41
    ethyl lactate 87.29
    propylene carbonate 175.32
    n-methylformamide 417.57
    2-pentanol 125.16
    n-pentane 15.14
    1-propoxy-2-propanol 117.39
    1-methoxy-2-propyl acetate 84.26
    2-(2-methoxypropoxy) propanol 145.71
    mesitylene 32.02
    ε-caprolactone 221.43
    p-cymene 29.16
    epichlorohydrin 340.12
    1,1,1-trichloroethane 164.12
    2-aminoethanol 298.85
    morpholine-4-carbaldehyde 495.83
    sulfolane 506.29
    2,2,4-trimethylpentane 12.08
    2-methyltetrahydrofuran 215.54
    n-hexyl acetate 113.96
    isooctane 7.92
    2-(2-butoxyethoxy)ethanol 192.26
    sec-butyl acetate 64.18
    tert-butyl acetate 93.9
    decalin 11.74
    glycerin 300.29
    diglyme 336.28
    acrylic acid 310.24
    isopropyl myristate 47.12
    n-butyric acid 220.5
    acetyl acetate 102.72
    di(2-ethylhexyl) phthalate 60.52
    ethyl propionate 85.21
    nitromethane 799.17
    1,2-diethoxyethane 115.46
    benzonitrile 174.34
    trioctyl phosphate 44.48
    1-bromopropane 98.09
    gamma-valerolactone 456.23
    n-decanol 52.38
    triethyl phosphate 46.6
    4-methyl-2-pentanol 71.34
    propionitrile 203.07
    vinylene carbonate 190.31
    1,1,2-trichlorotrifluoroethane 348.96
    DMS 96.01
    cumene 35.87
    2-octanol 55.91
    2-hexanone 129.31
    octyl acetate 63.03
    limonene 37.94
    1,2-dimethoxyethane 402.9
    ethyl orthosilicate 43.96
    tributyl phosphate 49.66
    diacetone alcohol 155.78
    N,N-dimethylaniline 108.07
    acrylonitrile 294.28
    aniline 110.4
    1,3-propanediol 312.17
    bromobenzene 81.24
    dibromomethane 194.02
    1,1,2,2-tetrachloroethane 305.58
    2-methyl-cyclohexyl acetate 65.46
    tetrabutyl urea 74.64
    diisobutyl methanol 37.59
    2-phenylethanol 89.58
    styrene 48.35
    dioctyl adipate 77.72
    dimethyl sulfate 163.29
    ethyl butyrate 60.58
    methyl lactate 126.41
    butyl lactate 82.54
    diethyl carbonate 47.68
    propanediol butyl ether 177.37
    triethyl orthoformate 50.13
    p-tert-butyltoluene 28.29
    methyl 4-tert-butylbenzoate 125.85
    morpholine 314.95
    tert-butylamine 145.3
    n-dodecanol 40.31
    dimethoxymethane 245.24
    ethylene carbonate 135.79
    cyrene 167.52
    2-ethoxyethyl acetate 113.85
    2-ethylhexyl acetate 52.11
    1,2,4-trichlorobenzene 149.0
    4-methylpyridine 219.83
    dibutyl ether 59.09
    2,6-dimethyl-4-heptanol 37.59
    DEF 234.9
    dimethyl isosorbide 179.96
    tetrachloroethylene 232.78
    eugenol 143.96
    triacetin 136.87
    span 80 126.05
    1,4-butanediol 172.65
    1,1-dichloroethane 194.17
    2-methyl-1-pentanol 131.15
    methyl formate 299.39
    2-methyl-1-butanol 149.96
    n-decane 11.22
    butyronitrile 179.44
    3,7-dimethyl-1-octanol 66.85
    1-chlorooctane 41.76
    1-chlorotetradecane 18.72
    n-nonane 10.71
    undecane 8.58
    tert-butylcyclohexane 13.23
    cyclooctane 5.45
    cyclopentanol 191.51
    tetrahydropyran 166.63
    tert-amyl methyl ether 106.49
    2,5,8-trioxanonane 238.81
    1-hexene 51.21
    2-isopropoxyethanol 205.45
    2,2,2-trifluoroethanol 255.45
    methyl butyrate 133.8

    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