Propanoic acid, 3-mercapto-, 2,3-dihydroxypropyl ester

Overview IFRA Request a quote

  • Identifiers

    CAS number
    67874-65-1

    Molecular formula
    C6H12O4S

    SMILES
    C(CS)C(=O)OCC(CO)O

    Safety labels

  • Odor profile

    Fragrance
    Sulfurous 66.89%
    Meaty 55.74%
    Savory 42.9%
    Roasted 36.73%
    Tropical 33.31%
    Cheesy 29.23%
    Fruity 26.83%
    Odorless 26.3%
    Cooked 25.3%
    Onion 22.77%

     

    Flavor
    Odorless 65.47%
    Sweet 39.12%
    Very mild 29.2%
    Sweet-like 29.16%
    Mild 26.93%
    Very slight 23.16%
    Yeast 23.08%
    Bland 22.99%
    Sour 21.97%
    Acetoin 21.27%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.8

    pKa est.
    7.86 (neutral)

    Molecular weight
    180.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    351°C

    Flash point

    • 149.01 ˚C est.

  • Synonyms

    • 67874-65-1
    • 3-Mercaptopropanoic acid, glyceryl monoester
    • EINECS 267-492-9
    • Propanoic acid, 3-mercapto-, 2,3-dihydroxypropyl ester
    • DTXSID20867374
    • RefChem:869510
    • DTXCID50815565
    • 2,3-Dihydroxypropyl 3-mercaptopropionate
    • 2,3-dihydroxypropyl 3-sulfanylpropanoate
    • Glyceryl 3-mercaptopropanoate
    • Glyceryl 3-mercaptopropionate
    • SCHEMBL2227704
    • YTARCXSUNGADNU-UHFFFAOYSA-N
    • AKOS006280103
    • DB-230498
    • NS00013707
    • 67874-65-1

  • Applications

    Propanoic acid, 3-mercapto-, 2,3-dihydroxypropyl ester (CAS 67874-65-1) is used primarily as an intermediate in the synthesis of thiol-containing monomers and polymers, enabling the introduction of sulfur-containing functionality into polymer networks and facilitating thiol-ene and thiol-epoxy crosslinking. In the coatings and plastics sector, it can serve as a crosslinking agent for formulations such as paints, inks, and adhesives. It may also be prepared as a precursor for glycerol-ester-based plasticizers or gel systems that incorporate thiol functionality, expanding processing options and mechanical properties. Additionally, it may be evaluated as an intermediate in cosmetic/personal-care formulation chemistry where glycerol ester derivatives are relevant, subject to safety and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 263.88
    methanol 886.13
    isopropanol 139.2
    water 745.43
    ethyl acetate 18.14
    n-propanol 133.77
    acetone 211.78
    n-butanol 79.73
    acetonitrile 58.49
    DMF 1814.72
    toluene 2.86
    isobutanol 63.99
    1,4-dioxane 110.36
    methyl acetate 38.76
    THF 142.94
    2-butanone 50.34
    n-pentanol 43.94
    sec-butanol 61.64
    n-hexane 0.99
    ethylene glycol 554.91
    NMP 534.91
    cyclohexane 3.64
    DMSO 1827.89
    n-butyl acetate 13.08
    n-octanol 17.47
    chloroform 7.79
    n-propyl acetate 20.4
    acetic acid 584.19
    dichloromethane 11.05
    cyclohexanone 86.12
    propylene glycol 288.69
    isopropyl acetate 12.88
    DMAc 797.99
    2-ethoxyethanol 251.93
    isopentanol 51.45
    n-heptane 1.74
    ethyl formate 64.98
    1,2-dichloroethane 15.57
    n-hexanol 21.53
    2-methoxyethanol 568.55
    isobutyl acetate 11.67
    tetrachloromethane 2.58
    n-pentyl acetate 12.95
    transcutol 269.89
    n-heptanol 15.99
    ethylbenzene 3.48
    MIBK 22.83
    2-propoxyethanol 87.24
    tert-butanol 140.0
    MTBE 24.55
    2-butoxyethanol 59.82
    propionic acid 140.78
    o-xylene 6.35
    formic acid 1221.38
    diethyl ether 13.62
    m-xylene 4.55
    p-xylene 5.49
    chlorobenzene 4.59
    dimethyl carbonate 34.51
    n-octane 0.95
    formamide 1089.18
    cyclopentanone 126.86
    2-pentanone 34.31
    anisole 18.55
    cyclopentyl methyl ether 28.75
    gamma-butyrolactone 153.1
    1-methoxy-2-propanol 224.94
    pyridine 39.07
    3-pentanone 21.2
    furfural 181.87
    n-dodecane 0.91
    diethylene glycol 211.77
    diisopropyl ether 4.53
    tert-amyl alcohol 73.38
    acetylacetone 64.13
    n-hexadecane 0.97
    acetophenone 35.98
    methyl propionate 33.1
    isopentyl acetate 12.86
    trichloroethylene 23.16
    n-nonanol 15.37
    cyclohexanol 52.08
    benzyl alcohol 42.12
    2-ethylhexanol 11.67
    isooctanol 13.68
    dipropyl ether 9.85
    1,2-dichlorobenzene 6.98
    ethyl lactate 41.94
    propylene carbonate 58.53
    n-methylformamide 595.77
    2-pentanol 28.38
    n-pentane 1.4
    1-propoxy-2-propanol 48.72
    1-methoxy-2-propyl acetate 26.35
    2-(2-methoxypropoxy) propanol 72.49
    mesitylene 4.85
    ε-caprolactone 70.87
    p-cymene 4.47
    epichlorohydrin 77.98
    1,1,1-trichloroethane 5.63
    2-aminoethanol 439.07
    morpholine-4-carbaldehyde 383.6
    sulfolane 279.91
    2,2,4-trimethylpentane 1.19
    2-methyltetrahydrofuran 44.78
    n-hexyl acetate 19.78
    isooctane 0.78
    2-(2-butoxyethoxy)ethanol 92.47
    sec-butyl acetate 10.27
    tert-butyl acetate 20.13
    decalin 1.49
    glycerin 531.23
    diglyme 176.26
    acrylic acid 205.9
    isopropyl myristate 8.88
    n-butyric acid 94.88
    acetyl acetate 20.98
    di(2-ethylhexyl) phthalate 19.96
    ethyl propionate 14.89
    nitromethane 544.71
    1,2-diethoxyethane 26.63
    benzonitrile 21.55
    trioctyl phosphate 13.94
    1-bromopropane 3.95
    gamma-valerolactone 207.9
    n-decanol 11.78
    triethyl phosphate 13.74
    4-methyl-2-pentanol 16.4
    propionitrile 26.07
    vinylene carbonate 64.88
    1,1,2-trichlorotrifluoroethane 185.61
    DMS 22.6
    cumene 3.98
    2-octanol 9.68
    2-hexanone 22.82
    octyl acetate 13.29
    limonene 7.12
    1,2-dimethoxyethane 226.94
    ethyl orthosilicate 11.7
    tributyl phosphate 14.69
    diacetone alcohol 67.69
    N,N-dimethylaniline 25.63
    acrylonitrile 62.48
    aniline 18.52
    1,3-propanediol 370.13
    bromobenzene 2.67
    dibromomethane 5.93
    1,1,2,2-tetrachloroethane 23.28
    2-methyl-cyclohexyl acetate 17.19
    tetrabutyl urea 29.94
    diisobutyl methanol 9.14
    2-phenylethanol 23.06
    styrene 4.25
    dioctyl adipate 22.92
    dimethyl sulfate 99.41
    ethyl butyrate 13.79
    methyl lactate 87.93
    butyl lactate 29.42
    diethyl carbonate 11.46
    propanediol butyl ether 91.9
    triethyl orthoformate 13.35
    p-tert-butyltoluene 4.78
    methyl 4-tert-butylbenzoate 38.49
    morpholine 171.1
    tert-butylamine 40.51
    n-dodecanol 9.36
    dimethoxymethane 202.3
    ethylene carbonate 45.5
    cyrene 104.25
    2-ethoxyethyl acetate 23.35
    2-ethylhexyl acetate 8.76
    1,2,4-trichlorobenzene 10.51
    4-methylpyridine 31.26
    dibutyl ether 8.81
    2,6-dimethyl-4-heptanol 9.14
    DEF 118.63
    dimethyl isosorbide 80.77
    tetrachloroethylene 21.1
    eugenol 49.5
    triacetin 40.74
    span 80 58.68
    1,4-butanediol 169.93
    1,1-dichloroethane 5.75
    2-methyl-1-pentanol 32.28
    methyl formate 328.78
    2-methyl-1-butanol 47.75
    n-decane 1.27
    butyronitrile 24.3
    3,7-dimethyl-1-octanol 15.21
    1-chlorooctane 3.84
    1-chlorotetradecane 2.17
    n-nonane 1.17
    undecane 1.03
    tert-butylcyclohexane 1.19
    cyclooctane 1.55
    cyclopentanol 77.76
    tetrahydropyran 36.86
    tert-amyl methyl ether 19.16
    2,5,8-trioxanonane 136.29
    1-hexene 2.77
    2-isopropoxyethanol 101.27
    2,2,2-trifluoroethanol 237.24
    methyl butyrate 32.31

    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