1,3-Dioxolane, 4-methyl-2-[2-(methylthio)ethyl]-

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  • Identifiers

    CAS number
    59007-89-5

    Molecular formula
    C7H14O2S

    SMILES
    CC1COC(O1)CCSC

  • Odor profile

    Fragrance
    Sulfurous 80.15%
    Meaty 60.89%
    Onion 57.18%
    Vegetable 52.95%
    Savory 47.55%
    Roasted 47.17%
    Cheesy 45.92%
    Alliaceous 45.73%
    Potato 45.08%
    Garlic 44.84%

     

    Flavor
    Sulfurous 55.61%
    Vegetable 53.52%
    Green 49.95%
    Onion 39.13%
    Roasted 36.45%
    Tropical 33.76%
    Earthy 31.83%
    Potato 30.86%
    Sulfury 30.5%
    Metallic 29.24%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    5.98 (weak acid)

    Molecular weight
    162.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    222°C

    Flash point

    • 80.26 ˚C est.

  • Synonyms

    • 59007-89-5
    • 1,3-dioxolane, 4-methyl-2-[2-(methylthio)ethyl]-
    • Methional, propylene glycol acetal
    • DTXSID80886162
    • 1,3-Dioxolane, 4-methyl-2-(2-(methylthio)ethyl)-
    • 4-Methyl-2-(2-(methylthio)ethyl)-1,3-dioxolane
    • 4-METHYL-2-[2-(METHYLTHIO)ETHYL]-1,3-DIOXOLANE
    • SCHEMBL10945002
    • DTXCID301025503
    • DB-305997

  • Applications

    For 1,3-Dioxolane, 4-methyl-2-[2-(methylthio)ethyl]- (CAS 59007-89-5), practical applications are primarily as an organic synthesis intermediate; it may be used as a solvent or co-solvent in industrial manufacturing; it can serve as a processing aid or reactive diluent in coatings and inks; it is often evaluated as a building block for pharmaceutical and agrochemical synthesis; and it may be used in polymer production as a specialty intermediate or additive under appropriate formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2130.31
    methanol 2516.29
    isopropanol 1300.79
    water 34.91
    ethyl acetate 730.06
    n-propanol 1298.92
    acetone 923.18
    n-butanol 1154.49
    acetonitrile 1110.36
    DMF 907.26
    toluene 639.48
    isobutanol 852.86
    1,4-dioxane 2033.7
    methyl acetate 689.1
    THF 1779.76
    2-butanone 717.05
    n-pentanol 876.03
    sec-butanol 933.06
    n-hexane 128.54
    ethylene glycol 607.11
    NMP 671.64
    cyclohexane 388.83
    DMSO 1316.41
    n-butyl acetate 532.08
    n-octanol 418.25
    chloroform 3835.83
    n-propyl acetate 499.19
    acetic acid 1942.35
    dichloromethane 2778.92
    cyclohexanone 1150.76
    propylene glycol 642.88
    isopropyl acetate 409.32
    DMAc 794.32
    2-ethoxyethanol 1257.4
    isopentanol 783.42
    n-heptane 127.38
    ethyl formate 631.22
    1,2-dichloroethane 1131.92
    n-hexanol 778.85
    2-methoxyethanol 1627.97
    isobutyl acetate 329.23
    tetrachloromethane 701.69
    n-pentyl acetate 357.39
    transcutol 2224.19
    n-heptanol 381.99
    ethylbenzene 241.79
    MIBK 322.63
    2-propoxyethanol 1076.31
    tert-butanol 1065.14
    MTBE 643.84
    2-butoxyethanol 658.95
    propionic acid 842.66
    o-xylene 313.6
    formic acid 941.41
    diethyl ether 821.46
    m-xylene 331.42
    p-xylene 369.29
    chlorobenzene 790.27
    dimethyl carbonate 205.11
    n-octane 51.05
    formamide 801.99
    cyclopentanone 892.8
    2-pentanone 547.29
    anisole 503.42
    cyclopentyl methyl ether 777.8
    gamma-butyrolactone 976.08
    1-methoxy-2-propanol 1026.15
    pyridine 1518.9
    3-pentanone 393.48
    furfural 1137.3
    n-dodecane 48.17
    diethylene glycol 967.8
    diisopropyl ether 206.37
    tert-amyl alcohol 763.07
    acetylacetone 564.18
    n-hexadecane 53.83
    acetophenone 445.88
    methyl propionate 454.09
    isopentyl acetate 398.67
    trichloroethylene 2215.92
    n-nonanol 346.73
    cyclohexanol 1039.69
    benzyl alcohol 591.88
    2-ethylhexanol 395.63
    isooctanol 278.26
    dipropyl ether 415.4
    1,2-dichlorobenzene 584.62
    ethyl lactate 258.52
    propylene carbonate 639.01
    n-methylformamide 692.25
    2-pentanol 647.06
    n-pentane 160.16
    1-propoxy-2-propanol 677.13
    1-methoxy-2-propyl acetate 440.55
    2-(2-methoxypropoxy) propanol 439.54
    mesitylene 199.38
    ε-caprolactone 946.89
    p-cymene 164.24
    epichlorohydrin 1227.9
    1,1,1-trichloroethane 1273.17
    2-aminoethanol 989.51
    morpholine-4-carbaldehyde 1116.32
    sulfolane 818.93
    2,2,4-trimethylpentane 67.24
    2-methyltetrahydrofuran 1267.16
    n-hexyl acetate 480.67
    isooctane 47.86
    2-(2-butoxyethoxy)ethanol 694.29
    sec-butyl acetate 296.7
    tert-butyl acetate 340.18
    decalin 109.03
    glycerin 834.57
    diglyme 1239.06
    acrylic acid 762.78
    isopropyl myristate 186.81
    n-butyric acid 1205.08
    acetyl acetate 520.9
    di(2-ethylhexyl) phthalate 197.75
    ethyl propionate 339.88
    nitromethane 1314.29
    1,2-diethoxyethane 725.43
    benzonitrile 809.27
    trioctyl phosphate 148.93
    1-bromopropane 802.9
    gamma-valerolactone 1273.47
    n-decanol 240.61
    triethyl phosphate 177.17
    4-methyl-2-pentanol 322.37
    propionitrile 775.77
    vinylene carbonate 693.87
    1,1,2-trichlorotrifluoroethane 1148.07
    DMS 285.85
    cumene 161.44
    2-octanol 258.69
    2-hexanone 507.44
    octyl acetate 242.54
    limonene 248.89
    1,2-dimethoxyethane 1389.33
    ethyl orthosilicate 190.75
    tributyl phosphate 175.29
    diacetone alcohol 391.4
    N,N-dimethylaniline 322.57
    acrylonitrile 859.87
    aniline 840.69
    1,3-propanediol 1151.72
    bromobenzene 793.03
    dibromomethane 1882.39
    1,1,2,2-tetrachloroethane 1713.29
    2-methyl-cyclohexyl acetate 287.37
    tetrabutyl urea 213.41
    diisobutyl methanol 190.55
    2-phenylethanol 509.12
    styrene 379.11
    dioctyl adipate 268.2
    dimethyl sulfate 257.11
    ethyl butyrate 357.21
    methyl lactate 302.82
    butyl lactate 283.2
    diethyl carbonate 260.36
    propanediol butyl ether 589.7
    triethyl orthoformate 293.74
    p-tert-butyltoluene 157.88
    methyl 4-tert-butylbenzoate 317.62
    morpholine 2107.18
    tert-butylamine 732.53
    n-dodecanol 180.92
    dimethoxymethane 696.79
    ethylene carbonate 625.75
    cyrene 386.55
    2-ethoxyethyl acetate 476.19
    2-ethylhexyl acetate 327.14
    1,2,4-trichlorobenzene 678.86
    4-methylpyridine 1209.56
    dibutyl ether 374.54
    2,6-dimethyl-4-heptanol 190.55
    DEF 610.3
    dimethyl isosorbide 522.05
    tetrachloroethylene 1350.57
    eugenol 366.84
    triacetin 433.63
    span 80 465.86
    1,4-butanediol 612.55
    1,1-dichloroethane 1360.6
    2-methyl-1-pentanol 586.92
    methyl formate 476.91
    2-methyl-1-butanol 717.02
    n-decane 80.28
    butyronitrile 946.15
    3,7-dimethyl-1-octanol 323.36
    1-chlorooctane 235.45
    1-chlorotetradecane 99.8
    n-nonane 79.16
    undecane 59.23
    tert-butylcyclohexane 86.63
    cyclooctane 102.77
    cyclopentanol 966.21
    tetrahydropyran 1727.12
    tert-amyl methyl ether 439.52
    2,5,8-trioxanonane 804.54
    1-hexene 402.16
    2-isopropoxyethanol 759.21
    2,2,2-trifluoroethanol 589.98
    methyl butyrate 507.83

    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