Methylthio 2-(propionyloxy) propionate

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  • Identifiers

    CAS number
    827024-53-3

    Molecular formula
    C7H12O3S

    SMILES
    CCC(=O)OC(C)C(=O)SC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 86.88%
    Sulfurous 68.36%
    Tropical 68.27%
    Cheesy 52.88%
    Pineapple 36.88%
    Dairy 34.19%
    Roasted 33.64%
    Green 31.74%
    Meaty 31.73%
    Sweet 31.0%

     

    Flavor
    Fruity 65.14%
    Creamy 32.29%
    Cheese 30.26%
    Cooked 30.18%
    Cabbage 26.53%
    Tropical 25.62%
    Berry 25.21%
    Buttery 24.44%
    Sulfury 24.13%
    Onion 24.05%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    8.35 (weak base)

    Molecular weight
    176.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    227°C

    Flash point

    • 84.06 ˚C est.

    Solubility expt.

    • slightly soluble in water; soluble in fats

  • Synonyms

    • FEMA No. 3790
    • Methylthio 2-(propionyloxy) propionate
    • Propionyllactic acid thiomethyl ester
    • Methyl thiopropionyl oxypropionate
    • 0VG9JPO6J5
    • 827024-53-3
    • S-Methyl 2-(propionyloxy)propanethioate
    • Propanethioic acid, 2-(1-oxopropoxy)-, S-methyl ester
    • Methylthio 2-(propionyloxy) propionate [FHFI]
    • RefChem:818710
    • UNII-0VG9JPO6J5
    • Methylthio 2-(propanoyloxy)propanoate
    • SCHEMBL28578717
    • FEMA 3790
    • CHEBI:173480
    • S-Methyl-2-(propionyloxy)propanethioate
    • (1-methylsulanyl-1-oxopropan-2-yl) propanoate
    • 1-(methylsulfanyl)-1-oxopropan-2-yl propanoate
    • Q27237295
    • 827024-53-3

  • Applications

    Methylthio 2-(propionyloxy) propionate (CAS 827024-53-3) is primarily encountered as an intermediate in organic synthesis, where its ester and methylthio functionalities enable further reactions to build more complex molecules. In industrial manufacturing, it may be used as a reactive ester or processing aid in the formulation of specialty polymers and coatings, contributing to controlled reactivity and component compatibility. It can serve as a precursor for downstream products in the adhesives sector, or as a building block in custom chemical libraries. In fragrance and cosmetics formulation, sulfur-containing esters of this type may be evaluated for odor characteristics or as part of fragrance development, depending on formulation constraints. In cleaning or household product formulations, it may function as a solvent derivative or processing additive under appropriate conditions, subject to local regulations. Overall, its role is typically as an intermediate or functional additive, and actual applications depend on regulatory frameworks and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 827.58
    methanol 1513.64
    isopropanol 597.95
    water 25.34
    ethyl acetate 854.45
    n-propanol 630.32
    acetone 1583.51
    n-butanol 558.35
    acetonitrile 2088.62
    DMF 2081.45
    toluene 623.23
    isobutanol 499.79
    1,4-dioxane 1879.55
    methyl acetate 1237.31
    THF 1429.69
    2-butanone 1122.68
    n-pentanol 529.31
    sec-butanol 633.36
    n-hexane 82.38
    ethylene glycol 239.99
    NMP 2113.28
    cyclohexane 198.38
    DMSO 2018.47
    n-butyl acetate 521.84
    n-octanol 254.06
    chloroform 2700.12
    n-propyl acetate 691.98
    acetic acid 1911.71
    dichloromethane 2919.17
    cyclohexanone 1667.17
    propylene glycol 191.93
    isopropyl acetate 479.42
    DMAc 1975.34
    2-ethoxyethanol 1120.9
    isopentanol 490.36
    n-heptane 45.86
    ethyl formate 931.74
    1,2-dichloroethane 1691.64
    n-hexanol 324.08
    2-methoxyethanol 1409.67
    isobutyl acetate 354.92
    tetrachloromethane 445.1
    n-pentyl acetate 421.6
    transcutol 1697.43
    n-heptanol 205.62
    ethylbenzene 428.75
    MIBK 395.0
    2-propoxyethanol 667.37
    tert-butanol 775.93
    MTBE 759.64
    2-butoxyethanol 447.71
    propionic acid 833.41
    o-xylene 469.92
    formic acid 930.97
    diethyl ether 752.16
    m-xylene 361.89
    p-xylene 593.61
    chlorobenzene 980.86
    dimethyl carbonate 394.75
    n-octane 31.59
    formamide 1565.99
    cyclopentanone 1601.97
    2-pentanone 735.75
    anisole 862.04
    cyclopentyl methyl ether 731.96
    gamma-butyrolactone 2015.74
    1-methoxy-2-propanol 703.02
    pyridine 1833.99
    3-pentanone 692.59
    furfural 2236.66
    n-dodecane 29.42
    diethylene glycol 567.33
    diisopropyl ether 201.0
    tert-amyl alcohol 760.8
    acetylacetone 978.47
    n-hexadecane 34.3
    acetophenone 945.28
    methyl propionate 736.01
    isopentyl acetate 435.75
    trichloroethylene 3425.73
    n-nonanol 206.11
    cyclohexanol 745.36
    benzyl alcohol 750.49
    2-ethylhexanol 231.09
    isooctanol 174.11
    dipropyl ether 255.42
    1,2-dichlorobenzene 927.13
    ethyl lactate 272.72
    propylene carbonate 986.75
    n-methylformamide 1417.24
    2-pentanol 382.77
    n-pentane 81.37
    1-propoxy-2-propanol 368.0
    1-methoxy-2-propyl acetate 415.33
    2-(2-methoxypropoxy) propanol 388.97
    mesitylene 225.73
    ε-caprolactone 1407.61
    p-cymene 184.06
    epichlorohydrin 1891.64
    1,1,1-trichloroethane 1426.76
    2-aminoethanol 428.65
    morpholine-4-carbaldehyde 2133.31
    sulfolane 2048.73
    2,2,4-trimethylpentane 57.22
    2-methyltetrahydrofuran 1268.73
    n-hexyl acetate 560.2
    isooctane 30.7
    2-(2-butoxyethoxy)ethanol 517.73
    sec-butyl acetate 406.8
    tert-butyl acetate 503.75
    decalin 94.3
    glycerin 337.73
    diglyme 1238.85
    acrylic acid 868.83
    isopropyl myristate 190.46
    n-butyric acid 873.89
    acetyl acetate 701.12
    di(2-ethylhexyl) phthalate 197.75
    ethyl propionate 549.34
    nitromethane 3531.68
    1,2-diethoxyethane 656.99
    benzonitrile 1176.53
    trioctyl phosphate 133.69
    1-bromopropane 762.25
    gamma-valerolactone 2161.49
    n-decanol 144.37
    triethyl phosphate 220.45
    4-methyl-2-pentanol 208.35
    propionitrile 1058.52
    vinylene carbonate 1114.54
    1,1,2-trichlorotrifluoroethane 1307.86
    DMS 515.72
    cumene 255.15
    2-octanol 177.32
    2-hexanone 641.8
    octyl acetate 242.5
    limonene 256.77
    1,2-dimethoxyethane 1710.44
    ethyl orthosilicate 208.75
    tributyl phosphate 190.65
    diacetone alcohol 479.32
    N,N-dimethylaniline 575.77
    acrylonitrile 1512.05
    aniline 743.44
    1,3-propanediol 635.48
    bromobenzene 1021.18
    dibromomethane 1638.14
    1,1,2,2-tetrachloroethane 2263.98
    2-methyl-cyclohexyl acetate 335.46
    tetrabutyl urea 262.35
    diisobutyl methanol 136.78
    2-phenylethanol 457.22
    styrene 614.76
    dioctyl adipate 282.83
    dimethyl sulfate 666.3
    ethyl butyrate 406.81
    methyl lactate 333.35
    butyl lactate 284.67
    diethyl carbonate 312.59
    propanediol butyl ether 363.53
    triethyl orthoformate 272.04
    p-tert-butyltoluene 163.84
    methyl 4-tert-butylbenzoate 447.9
    morpholine 1790.97
    tert-butylamine 490.98
    n-dodecanol 110.68
    dimethoxymethane 970.9
    ethylene carbonate 921.15
    cyrene 507.39
    2-ethoxyethyl acetate 575.03
    2-ethylhexyl acetate 359.96
    1,2,4-trichlorobenzene 1071.9
    4-methylpyridine 1857.63
    dibutyl ether 328.22
    2,6-dimethyl-4-heptanol 136.78
    DEF 1131.17
    dimethyl isosorbide 675.06
    tetrachloroethylene 1648.3
    eugenol 464.68
    triacetin 539.11
    span 80 317.38
    1,4-butanediol 339.54
    1,1-dichloroethane 1454.58
    2-methyl-1-pentanol 515.64
    methyl formate 1181.0
    2-methyl-1-butanol 507.92
    n-decane 48.5
    butyronitrile 939.27
    3,7-dimethyl-1-octanol 222.39
    1-chlorooctane 196.26
    1-chlorotetradecane 77.77
    n-nonane 47.4
    undecane 36.45
    tert-butylcyclohexane 74.91
    cyclooctane 55.36
    cyclopentanol 734.86
    tetrahydropyran 1284.87
    tert-amyl methyl ether 595.28
    2,5,8-trioxanonane 727.56
    1-hexene 302.45
    2-isopropoxyethanol 644.5
    2,2,2-trifluoroethanol 644.57
    methyl butyrate 848.35

    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