Ethyl 2-(methyldithio)propionate

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  • Identifiers

    CAS number
    23747-43-5

    Molecular formula
    C6H12O2S2

    SMILES
    CCOC(=O)C(C)SSC

  • Odor profile

    Fragrance
    Fruity 89.08%
    Sulfurous 82.87%
    Tropical 79.61%
    Green 72.93%
    Onion 57.31%
    Vegetable 44.94%
    Alliaceous 44.35%
    Pineapple 42.99%
    Sweet 41.54%
    Meaty 36.71%

     

    Flavor
    Fruity 63.36%
    Sulfury 39.59%
    Onion 38.06%
    Cabbage 34.67%
    Sulfurous 33.99%
    Tropical 33.72%
    Cooked 33.6%
    Meaty 32.44%
    Roasted 29.36%
    Ripe 27.45%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    6.71 (neutral)

    Molecular weight
    180.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 105.00 °C. @ 12.00 mm Hg

    Flash point

    • 86.82 ˚C est.

    Solubility expt.

    • very slightly
    • very slightly soluble in water; soluble in alcohols and oils

  • Synonyms

    • Ethyl 2-(methyldithio)propionate
    • 23747-43-5
    • ethyl 2-(methyldisulfanyl)propanoate
    • Propanoic acid, 2-(methyldithio)-, ethyl ester
    • ethyl 2-(methyl dithio) propionate
    • LTB6AT933D
    • EINECS 245-862-0
    • FEMA NO. 3834
    • DTXSID80865114
    • ETHYL 2-(METHYLDITHIO)PROPIONATE [FHFI]
    • PROPIONIC ACID, 2-(METHYLDITHIO)-, ETHYL ESTER
    • UNII-LTB6AT933D
    • SCHEMBL1532548
    • FEMA 3834
    • DTXCID50813561
    • CHEBI:178972
    • DZOQRCWJNNRVPT-UHFFFAOYSA-N
    • ethyl2-(methyldisulfanyl)propanoate
    • ethyl 2-(methyldisulanyl)propanoate
    • NS00050813
    • Q27283168
    • 245-862-0

  • Applications

    Ethyl 2-(methyldithio)propionate (CAS 23747-43-5) is primarily employed as a reactive intermediate in organic synthesis, enabling installation of a disulfide-bearing fragment for sulfur-containing building blocks used in specialty chemicals and pharmaceutical/agrochemical development. It can serve as a precursor in polymer chemistry for sulfur-containing polymers and as a crosslinking or modifying agent in coatings and adhesives, leveraging the disulfide functionality in thiol-disulfide exchange reactions. In the fragrance and cosmetics sectors, it may be evaluated as an odorant/intermediate or fixative that contributes sulfur-related notes in perfumery and personal care formulations. It is also encountered as a reactive ester in synthetic sequences, used where controlled release of thiol functionality is desired. Usage is subject to local regulations and formulation limits, and handling should follow appropriate safety measures.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 962.18
    methanol 1316.52
    isopropanol 758.98
    water 5.96
    ethyl acetate 1029.52
    n-propanol 742.11
    acetone 1537.14
    n-butanol 706.08
    acetonitrile 1709.66
    DMF 2077.21
    toluene 1155.84
    isobutanol 599.31
    1,4-dioxane 2514.58
    methyl acetate 1267.49
    THF 1891.81
    2-butanone 1227.01
    n-pentanol 640.7
    sec-butanol 770.21
    n-hexane 146.42
    ethylene glycol 248.72
    NMP 2028.78
    cyclohexane 410.0
    DMSO 1623.48
    n-butyl acetate 842.19
    n-octanol 439.25
    chloroform 4886.35
    n-propyl acetate 796.12
    acetic acid 1524.48
    dichloromethane 3807.32
    cyclohexanone 2390.74
    propylene glycol 262.26
    isopropyl acetate 659.03
    DMAc 1689.58
    2-ethoxyethanol 1043.41
    isopentanol 598.5
    n-heptane 116.01
    ethyl formate 900.46
    1,2-dichloroethane 2097.1
    n-hexanol 584.41
    2-methoxyethanol 1420.36
    isobutyl acetate 479.55
    tetrachloromethane 909.04
    n-pentyl acetate 677.36
    transcutol 1961.3
    n-heptanol 356.73
    ethylbenzene 588.96
    MIBK 562.47
    2-propoxyethanol 973.9
    tert-butanol 885.61
    MTBE 924.18
    2-butoxyethanol 631.99
    propionic acid 803.49
    o-xylene 682.55
    formic acid 547.97
    diethyl ether 899.9
    m-xylene 644.89
    p-xylene 833.97
    chlorobenzene 1530.59
    dimethyl carbonate 427.14
    n-octane 69.13
    formamide 802.97
    cyclopentanone 2028.34
    2-pentanone 915.35
    anisole 1129.86
    cyclopentyl methyl ether 1102.62
    gamma-butyrolactone 2005.68
    1-methoxy-2-propanol 912.87
    pyridine 2506.69
    3-pentanone 789.01
    furfural 2624.66
    n-dodecane 59.21
    diethylene glycol 713.33
    diisopropyl ether 310.52
    tert-amyl alcohol 823.44
    acetylacetone 1190.21
    n-hexadecane 69.38
    acetophenone 1103.83
    methyl propionate 784.75
    isopentyl acetate 683.96
    trichloroethylene 4591.66
    n-nonanol 356.17
    cyclohexanol 1127.04
    benzyl alcohol 970.46
    2-ethylhexanol 409.24
    isooctanol 298.07
    dipropyl ether 465.33
    1,2-dichlorobenzene 1397.07
    ethyl lactate 353.05
    propylene carbonate 1178.32
    n-methylformamide 1162.9
    2-pentanol 513.91
    n-pentane 134.32
    1-propoxy-2-propanol 643.98
    1-methoxy-2-propyl acetate 666.24
    2-(2-methoxypropoxy) propanol 543.25
    mesitylene 418.55
    ε-caprolactone 1852.37
    p-cymene 316.8
    epichlorohydrin 2196.05
    1,1,1-trichloroethane 2291.59
    2-aminoethanol 439.16
    morpholine-4-carbaldehyde 2221.49
    sulfolane 2138.02
    2,2,4-trimethylpentane 89.48
    2-methyltetrahydrofuran 1629.34
    n-hexyl acetate 878.01
    isooctane 61.05
    2-(2-butoxyethoxy)ethanol 746.95
    sec-butyl acetate 521.95
    tert-butyl acetate 698.23
    decalin 175.05
    glycerin 412.53
    diglyme 1610.47
    acrylic acid 816.36
    isopropyl myristate 315.65
    n-butyric acid 1058.84
    acetyl acetate 823.71
    di(2-ethylhexyl) phthalate 309.88
    ethyl propionate 627.65
    nitromethane 2759.92
    1,2-diethoxyethane 906.16
    benzonitrile 1732.59
    trioctyl phosphate 218.88
    1-bromopropane 1081.33
    gamma-valerolactone 2751.5
    n-decanol 245.51
    triethyl phosphate 317.76
    4-methyl-2-pentanol 297.92
    propionitrile 1176.58
    vinylene carbonate 1454.24
    1,1,2-trichlorotrifluoroethane 1617.22
    DMS 662.26
    cumene 353.23
    2-octanol 333.89
    2-hexanone 815.29
    octyl acetate 397.82
    limonene 456.32
    1,2-dimethoxyethane 1895.38
    ethyl orthosilicate 321.42
    tributyl phosphate 284.44
    diacetone alcohol 660.91
    N,N-dimethylaniline 740.04
    acrylonitrile 1542.52
    aniline 1110.53
    1,3-propanediol 682.59
    bromobenzene 1706.57
    dibromomethane 2414.76
    1,1,2,2-tetrachloroethane 3329.93
    2-methyl-cyclohexyl acetate 528.03
    tetrabutyl urea 385.53
    diisobutyl methanol 248.43
    2-phenylethanol 732.82
    styrene 862.55
    dioctyl adipate 432.09
    dimethyl sulfate 653.1
    ethyl butyrate 593.41
    methyl lactate 394.65
    butyl lactate 455.74
    diethyl carbonate 434.9
    propanediol butyl ether 558.91
    triethyl orthoformate 427.88
    p-tert-butyltoluene 300.76
    methyl 4-tert-butylbenzoate 663.13
    morpholine 2423.21
    tert-butylamine 576.37
    n-dodecanol 187.85
    dimethoxymethane 999.21
    ethylene carbonate 1171.54
    cyrene 668.04
    2-ethoxyethyl acetate 817.2
    2-ethylhexyl acetate 600.96
    1,2,4-trichlorobenzene 1586.36
    4-methylpyridine 2516.65
    dibutyl ether 542.67
    2,6-dimethyl-4-heptanol 248.43
    DEF 1267.23
    dimethyl isosorbide 929.32
    tetrachloroethylene 2272.84
    eugenol 706.71
    triacetin 750.48
    span 80 552.26
    1,4-butanediol 346.05
    1,1-dichloroethane 2142.79
    2-methyl-1-pentanol 583.87
    methyl formate 1014.39
    2-methyl-1-butanol 587.19
    n-decane 101.39
    butyronitrile 1178.18
    3,7-dimethyl-1-octanol 372.86
    1-chlorooctane 386.32
    1-chlorotetradecane 151.37
    n-nonane 104.97
    undecane 73.14
    tert-butylcyclohexane 140.11
    cyclooctane 132.66
    cyclopentanol 1010.12
    tetrahydropyran 1964.33
    tert-amyl methyl ether 714.54
    2,5,8-trioxanonane 996.71
    1-hexene 476.08
    2-isopropoxyethanol 708.96
    2,2,2-trifluoroethanol 548.6
    methyl butyrate 960.76

    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