1,3-Dioxolane, 2-ethyl-4-methyl-, trans-

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  • Identifiers

    CAS number
    1860-13-5

    Molecular formula
    C6H12O2

    SMILES
    CC[C@H]1OC[C@@H](O1)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 89.5%
    Ethereal 83.7%
    Green 81.35%
    Fermented 58.28%
    Alcoholic 49.05%
    Winey 39.06%
    Sweet 37.82%
    Cognac 37.75%
    Cocoa 37.46%
    Fresh 37.08%

     

    Flavor
    Sweet 48.73%
    Green 47.0%
    Vegetable 46.09%
    Caramel 41.68%
    Nutty 37.44%
    Earthy 35.45%
    Potato 30.34%
    Musty 30.13%
    Herbal 27.68%
    Roasted 25.88%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    7.26 (neutral)

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    122°C

    Flash point

    • 20.09 ˚C est.

  • Synonyms

    • (2S,4S)-2-ethyl-4-methyl-1,3-dioxolane
    • 1860-13-5
    • 1,3-Dioxolane, 2-ethyl-4-methyl-, trans-
    • JXW67B79AQ
    • 2-ETHYL-4-METHYL-1,3-DIOXOLAN (CIS/TRANS-GEMISCH)
    • 2-Ethyl-4-methyl-1,3-dioxolane, trans-
    • 2-Ethyl-4-methyl-1,3-dioxolane trans-
    • UNII-JXW67B79AQ
    • SCHEMBL17765481
    • DTXSID00171825
    • 1860-13-5

  • Applications

    1,3-Dioxolane, 2-ethyl-4-methyl-, trans- (CAS 1860-13-5) is primarily used in organic synthesis as a carbonyl-protecting acetal, enabling multistep routes in pharmaceutical and agrochemical manufacturing. It also functions as a versatile intermediate for building blocks in drug and crop-chemical syntheses. As a specialty solvent and reaction medium, it supports organic transformations, coatings and adhesive formulations, and polymer processing due to its moderate polarity and volatility. Additionally, it serves as a precursor or building block for acetal-containing polymers and related materials used in specialty plastics and coatings. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2022.7
    methanol 3144.49
    isopropanol 1318.48
    water 65.31
    ethyl acetate 842.91
    n-propanol 1384.34
    acetone 1141.94
    n-butanol 1264.21
    acetonitrile 1394.69
    DMF 1192.55
    toluene 427.5
    isobutanol 1083.31
    1,4-dioxane 1235.63
    methyl acetate 847.21
    THF 1504.24
    2-butanone 939.55
    n-pentanol 923.74
    sec-butanol 1191.57
    n-hexane 238.09
    ethylene glycol 725.81
    NMP 1057.87
    cyclohexane 224.18
    DMSO 1458.79
    n-butyl acetate 616.85
    n-octanol 534.15
    chloroform 3515.31
    n-propyl acetate 538.1
    acetic acid 1878.06
    dichloromethane 3389.34
    cyclohexanone 1077.5
    propylene glycol 693.52
    isopropyl acetate 574.45
    DMAc 1060.62
    2-ethoxyethanol 1344.1
    isopentanol 1064.22
    n-heptane 150.75
    ethyl formate 693.31
    1,2-dichloroethane 1346.8
    n-hexanol 888.05
    2-methoxyethanol 1871.8
    isobutyl acetate 377.44
    tetrachloromethane 833.48
    n-pentyl acetate 451.7
    transcutol 2112.46
    n-heptanol 455.83
    ethylbenzene 256.04
    MIBK 540.17
    2-propoxyethanol 1327.71
    tert-butanol 1317.14
    MTBE 1001.23
    2-butoxyethanol 743.2
    propionic acid 1034.04
    o-xylene 328.64
    formic acid 999.28
    diethyl ether 1026.16
    m-xylene 329.94
    p-xylene 362.6
    chlorobenzene 703.83
    dimethyl carbonate 273.76
    n-octane 72.21
    formamide 774.43
    cyclopentanone 1155.09
    2-pentanone 773.78
    anisole 558.19
    cyclopentyl methyl ether 820.81
    gamma-butyrolactone 1281.41
    1-methoxy-2-propanol 1306.23
    pyridine 970.15
    3-pentanone 587.73
    furfural 1352.46
    n-dodecane 65.64
    diethylene glycol 997.94
    diisopropyl ether 341.06
    tert-amyl alcohol 1173.15
    acetylacetone 762.81
    n-hexadecane 71.49
    acetophenone 475.04
    methyl propionate 615.06
    isopentyl acetate 546.98
    trichloroethylene 2339.02
    n-nonanol 413.28
    cyclohexanol 890.68
    benzyl alcohol 570.83
    2-ethylhexanol 464.2
    isooctanol 367.8
    dipropyl ether 488.7
    1,2-dichlorobenzene 652.47
    ethyl lactate 321.68
    propylene carbonate 743.03
    n-methylformamide 914.84
    2-pentanol 883.38
    n-pentane 249.56
    1-propoxy-2-propanol 803.8
    1-methoxy-2-propyl acetate 528.17
    2-(2-methoxypropoxy) propanol 551.8
    mesitylene 225.94
    ε-caprolactone 960.02
    p-cymene 217.53
    epichlorohydrin 1420.93
    1,1,1-trichloroethane 1398.89
    2-aminoethanol 1084.02
    morpholine-4-carbaldehyde 1176.09
    sulfolane 1330.55
    2,2,4-trimethylpentane 158.16
    2-methyltetrahydrofuran 1247.28
    n-hexyl acetate 683.7
    isooctane 109.32
    2-(2-butoxyethoxy)ethanol 739.11
    sec-butyl acetate 403.72
    tert-butyl acetate 569.3
    decalin 131.47
    glycerin 939.45
    diglyme 1166.17
    acrylic acid 934.03
    isopropyl myristate 250.6
    n-butyric acid 1239.37
    acetyl acetate 633.3
    di(2-ethylhexyl) phthalate 249.62
    ethyl propionate 455.53
    nitromethane 1627.93
    1,2-diethoxyethane 687.83
    benzonitrile 785.95
    trioctyl phosphate 191.99
    1-bromopropane 999.37
    gamma-valerolactone 1353.22
    n-decanol 283.99
    triethyl phosphate 219.97
    4-methyl-2-pentanol 499.66
    propionitrile 987.89
    vinylene carbonate 737.37
    1,1,2-trichlorotrifluoroethane 1336.27
    DMS 397.56
    cumene 222.36
    2-octanol 344.01
    2-hexanone 576.41
    octyl acetate 313.6
    limonene 311.95
    1,2-dimethoxyethane 1426.69
    ethyl orthosilicate 226.69
    tributyl phosphate 234.29
    diacetone alcohol 643.39
    N,N-dimethylaniline 417.27
    acrylonitrile 1133.75
    aniline 639.55
    1,3-propanediol 1156.21
    bromobenzene 755.83
    dibromomethane 2174.0
    1,1,2,2-tetrachloroethane 1850.03
    2-methyl-cyclohexyl acetate 328.77
    tetrabutyl urea 261.74
    diisobutyl methanol 275.53
    2-phenylethanol 510.46
    styrene 325.41
    dioctyl adipate 323.78
    dimethyl sulfate 442.09
    ethyl butyrate 426.45
    methyl lactate 417.52
    butyl lactate 366.22
    diethyl carbonate 280.25
    propanediol butyl ether 679.38
    triethyl orthoformate 317.45
    p-tert-butyltoluene 213.21
    methyl 4-tert-butylbenzoate 447.68
    morpholine 1354.2
    tert-butylamine 977.01
    n-dodecanol 212.74
    dimethoxymethane 887.07
    ethylene carbonate 590.48
    cyrene 468.12
    2-ethoxyethyl acetate 497.88
    2-ethylhexyl acetate 422.22
    1,2,4-trichlorobenzene 748.02
    4-methylpyridine 1023.03
    dibutyl ether 486.71
    2,6-dimethyl-4-heptanol 275.53
    DEF 892.04
    dimethyl isosorbide 702.75
    tetrachloroethylene 1381.49
    eugenol 467.56
    triacetin 508.2
    span 80 479.85
    1,4-butanediol 673.7
    1,1-dichloroethane 1568.86
    2-methyl-1-pentanol 820.98
    methyl formate 683.94
    2-methyl-1-butanol 1059.25
    n-decane 105.62
    butyronitrile 1115.96
    3,7-dimethyl-1-octanol 470.01
    1-chlorooctane 323.81
    1-chlorotetradecane 138.47
    n-nonane 113.41
    undecane 79.07
    tert-butylcyclohexane 153.63
    cyclooctane 93.69
    cyclopentanol 957.71
    tetrahydropyran 1085.13
    tert-amyl methyl ether 775.29
    2,5,8-trioxanonane 774.56
    1-hexene 538.5
    2-isopropoxyethanol 912.68
    2,2,2-trifluoroethanol 630.89
    methyl butyrate 640.75

    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