1,3-Dioxolane, 2-(2-(butylthio)-1-methylethyl)-2-methyl-

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  • Identifiers

    CAS number
    102145-07-3

    Molecular formula
    C11H22O2S

    SMILES
    CCCCSCC(C)C1(OCCO1)C

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  • Odor profile

    Fragrance
    Sulfurous 75.43%
    Green 64.19%
    Tropical 57.63%
    Onion 52.16%
    Meaty 51.59%
    Fruity 48.87%
    Vegetable 47.29%
    Alliaceous 45.11%
    Savory 42.52%
    Roasted 42.39%

     

    Flavor
    Green 72.12%
    Tropical 47.61%
    Sulfurous 44.33%
    Vegetable 35.28%
    Earthy 33.99%
    Metallic 32.86%
    Herbal 28.92%
    Sulfury 28.64%
    Onion 27.41%
    Burnt 26.86%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.21 (neutral)

    Molecular weight
    218.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    259°C

    Flash point

    • 110.76 ˚C est.

  • Synonyms

    • 102145-07-3
    • BRN 5495128
    • 2-Methyl-2-(1-methyl-2-butylthioethyl)-1,3-dioxolane
    • 2-(2-(Butylthio)-1-methylethyl)-2-methyl-1,3-dioxolane
    • 1,3-DIOXOLANE, 2-(2-(BUTYLTHIO)-1-METHYLETHYL)-2-METHYL-
    • 1,3-Dioxolane, 2-[2-(butylthio)-1-methylethyl]-2-methyl-
    • RefChem:218919
    • 2-[1-(butylsulfanyl)propan-2-yl]-2-methyl-1,3-dioxolane
    • DTXSID40907165
    • 2-(1-(Butylthio)propan-2-yl)-2-methyl-1,3-dioxolane
    • 102145-07-3

  • Applications

    1,3-Dioxolane, 2-(2-(butylthio)-1-methylethyl)-2-methyl- (CAS 102145-07-3) is primarily encountered as an organic-synthesis intermediate and acetal-protection building block based on the 1,3-dioxolane ring; it can be used to mask or reintroduce carbonyl functionality in multi-step routes. It may also serve as a specialty solvent or co-solvent in chemical processing and formulation work. As a sulfur-containing building block, it can function as a precursor for specialty chemicals used in polymers, coatings, and adhesives formulations. In some cases, it is evaluated for fragrance-related chemistry as an odorant intermediate or solvent, and its use is subject to formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4239.59
    methanol 3568.62
    isopropanol 3213.65
    water 1.65
    ethyl acetate 6256.46
    n-propanol 3582.68
    acetone 5196.15
    n-butanol 3318.58
    acetonitrile 4208.1
    DMF 2913.79
    toluene 2852.03
    isobutanol 2786.15
    1,4-dioxane 8595.37
    methyl acetate 3927.58
    THF 7521.69
    2-butanone 4486.8
    n-pentanol 2428.68
    sec-butanol 2855.13
    n-hexane 605.37
    ethylene glycol 456.03
    NMP 2682.46
    cyclohexane 1925.3
    DMSO 4092.81
    n-butyl acetate 4245.27
    n-octanol 1295.69
    chloroform 12536.35
    n-propyl acetate 3843.44
    acetic acid 3261.73
    dichloromethane 10392.04
    cyclohexanone 7056.09
    propylene glycol 727.31
    isopropyl acetate 4264.56
    DMAc 2929.69
    2-ethoxyethanol 3218.25
    isopentanol 3081.23
    n-heptane 449.43
    ethyl formate 2859.5
    1,2-dichloroethane 5881.43
    n-hexanol 2547.39
    2-methoxyethanol 3992.44
    isobutyl acetate 2369.03
    tetrachloromethane 2465.06
    n-pentyl acetate 2805.16
    transcutol 9271.26
    n-heptanol 1189.37
    ethylbenzene 1311.16
    MIBK 2486.32
    2-propoxyethanol 3593.44
    tert-butanol 3637.06
    MTBE 4953.1
    2-butoxyethanol 1869.75
    propionic acid 2455.73
    o-xylene 1462.28
    formic acid 814.02
    diethyl ether 5867.64
    m-xylene 1649.29
    p-xylene 1758.65
    chlorobenzene 3820.22
    dimethyl carbonate 1120.22
    n-octane 195.89
    formamide 1145.14
    cyclopentanone 4822.31
    2-pentanone 4037.53
    anisole 2487.12
    cyclopentyl methyl ether 4181.46
    gamma-butyrolactone 5095.55
    1-methoxy-2-propanol 3063.89
    pyridine 5709.65
    3-pentanone 2863.23
    furfural 4364.92
    n-dodecane 152.6
    diethylene glycol 1950.26
    diisopropyl ether 1770.4
    tert-amyl alcohol 2835.61
    acetylacetone 4302.01
    n-hexadecane 184.15
    acetophenone 2115.76
    methyl propionate 3113.57
    isopentyl acetate 3336.35
    trichloroethylene 9922.13
    n-nonanol 1104.7
    cyclohexanol 3720.28
    benzyl alcohol 1907.26
    2-ethylhexanol 1546.06
    isooctanol 981.22
    dipropyl ether 2177.33
    1,2-dichlorobenzene 3085.44
    ethyl lactate 976.67
    propylene carbonate 3261.48
    n-methylformamide 1868.24
    2-pentanol 2397.41
    n-pentane 618.32
    1-propoxy-2-propanol 2547.22
    1-methoxy-2-propyl acetate 3177.83
    2-(2-methoxypropoxy) propanol 1474.15
    mesitylene 1114.72
    ε-caprolactone 6178.95
    p-cymene 792.2
    epichlorohydrin 6501.25
    1,1,1-trichloroethane 7014.88
    2-aminoethanol 1164.27
    morpholine-4-carbaldehyde 4318.05
    sulfolane 4301.05
    2,2,4-trimethylpentane 324.23
    2-methyltetrahydrofuran 6429.72
    n-hexyl acetate 3168.91
    isooctane 265.76
    2-(2-butoxyethoxy)ethanol 2347.8
    sec-butyl acetate 2628.65
    tert-butyl acetate 3571.71
    decalin 582.93
    glycerin 917.88
    diglyme 4769.07
    acrylic acid 1639.25
    isopropyl myristate 1048.8
    n-butyric acid 4580.18
    acetyl acetate 3715.19
    di(2-ethylhexyl) phthalate 748.18
    ethyl propionate 2611.74
    nitromethane 4586.54
    1,2-diethoxyethane 4639.35
    benzonitrile 3226.8
    trioctyl phosphate 594.15
    1-bromopropane 4048.21
    gamma-valerolactone 6870.82
    n-decanol 736.8
    triethyl phosphate 840.43
    4-methyl-2-pentanol 1384.16
    propionitrile 3483.24
    vinylene carbonate 3402.93
    1,1,2-trichlorotrifluoroethane 3638.21
    DMS 1912.46
    cumene 814.05
    2-octanol 944.22
    2-hexanone 2862.15
    octyl acetate 1250.1
    limonene 1351.27
    1,2-dimethoxyethane 5639.26
    ethyl orthosilicate 926.01
    tributyl phosphate 820.47
    diacetone alcohol 2297.73
    N,N-dimethylaniline 1363.47
    acrylonitrile 3030.29
    aniline 2751.51
    1,3-propanediol 2052.88
    bromobenzene 4437.83
    dibromomethane 7205.86
    1,1,2,2-tetrachloroethane 8231.36
    2-methyl-cyclohexyl acetate 1645.24
    tetrabutyl urea 934.53
    diisobutyl methanol 829.69
    2-phenylethanol 1740.86
    styrene 1898.68
    dioctyl adipate 1320.84
    dimethyl sulfate 1410.08
    ethyl butyrate 2550.12
    methyl lactate 1020.07
    butyl lactate 1437.55
    diethyl carbonate 1572.8
    propanediol butyl ether 1548.29
    triethyl orthoformate 1673.86
    p-tert-butyltoluene 752.98
    methyl 4-tert-butylbenzoate 1439.35
    morpholine 8536.52
    tert-butylamine 2671.67
    n-dodecanol 543.1
    dimethoxymethane 3138.14
    ethylene carbonate 3575.29
    cyrene 1173.31
    2-ethoxyethyl acetate 3405.03
    2-ethylhexyl acetate 2693.48
    1,2,4-trichlorobenzene 3458.19
    4-methylpyridine 5761.47
    dibutyl ether 2286.83
    2,6-dimethyl-4-heptanol 829.69
    DEF 3668.69
    dimethyl isosorbide 2316.04
    tetrachloroethylene 5464.64
    eugenol 1246.42
    triacetin 2346.94
    span 80 1416.32
    1,4-butanediol 912.14
    1,1-dichloroethane 6725.81
    2-methyl-1-pentanol 1994.5
    methyl formate 1479.27
    2-methyl-1-butanol 2665.5
    n-decane 300.75
    butyronitrile 4200.14
    3,7-dimethyl-1-octanol 1276.26
    1-chlorooctane 1130.96
    1-chlorotetradecane 406.79
    n-nonane 303.01
    undecane 201.54
    tert-butylcyclohexane 446.93
    cyclooctane 549.67
    cyclopentanol 2952.55
    tetrahydropyran 9168.62
    tert-amyl methyl ether 2947.7
    2,5,8-trioxanonane 2553.7
    1-hexene 1963.63
    2-isopropoxyethanol 2401.41
    2,2,2-trifluoroethanol 1036.95
    methyl butyrate 3582.43

    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