1,3-Dioxolane

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  • Identifiers

    CAS number
    646-06-0

    Molecular formula
    C3H6O2

    SMILES
    C1COCO1

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Sweet 70.85%
    Ethereal 63.32%
    Fruity 42.11%
    Solvent 37.53%
    Alcoholic 31.27%
    Pungent 29.19%
    Fermented 29.09%
    Rummy 28.02%
    Green 26.82%
    Musty 25.56%

     

    Flavor
    Sweet 36.62%
    Vegetable 30.38%
    Caramel 29.2%
    Oily 26.29%
    Cauliflower 23.12%
    Roasted 23.04%
    Warm 22.15%
    Alkaline 20.76%
    Nutty 20.67%
    Naphthalic 20.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    6.55 (neutral)

    Molecular weight
    74.08 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -95 °C

    Boiling point

    • 78 °C

    Flash point

    • 3.36 ˚C est.
    • 35 °F (2 °C) (Open cup)

    Solubility expt.

    • Soluble in ethanol, ether, acetone
    • Miscible in water

  • Synonyms

    • 1,3-DIOXOLANE
    • 646-06-0
    • DIOXOLANE
    • Glycolformal
    • Formal glycol
    • 1,3-Dioxacyclopentane
    • 1,3-Dioxolan
    • Dioxolan
    • 1,3-Dioxolane, Stabilized
    • Glycol formal
    • Ethylene glycol formal
    • Glycol methylene ether
    • Dioxolan [Czech]
    • 1,3-Dioxole, dihydro-
    • 1,3-Dioxlane
    • Dioxolane, 1,3-
    • 5-Crown-2
    • CCRIS 4912
    • HSDB 5737
    • UNII-Y57RBG19JL
    • EINECS 211-463-5
    • 1,3-Dioxolane (stabilized with BHT)
    • DTXSID4027284
    • CHEBI:87597
    • ELCOTAL DX
    • Y57RBG19JL
    • DTXCID107284
    • 1,3-DIOXOLANE [HSDB]
    • EC 211-463-5
    • 1,3-dioxalane
    • MFCD00003207
    • UN1166
    • Formaldehyde ethylene acetal
    • Ethylene glycol methylene ether
    • 1,3 dioxolane
    • 1,3Dioxolan
    • 1,4-dioxolane
    • [1,3]dioxolane
    • [1,3]-dioxolane
    • 1,3Dioxacyclopentane
    • dihydro-1,3-dioxole
    • 1,3Dioxole, dihydro
    • Ethylene glycol, formal
    • DIOXOLANE [INCI]
    • CHEMBL3187281
    • CHEBI:39430
    • 1,3-Dioxolane, >=99.5%
    • Tox21_300693
    • AKOS015856096
    • FD54839
    • NCGC00248143-01
    • NCGC00254601-01
    • CAS-646-06-0
    • Dioxolane [UN1166] [Flammable liquid]
    • D0861
    • D5539
    • NS00004542
    • 1,3-Dioxolane 100 microg/mL in Acetonitrile
    • 1,3-Dioxolane;Ethylene glycol methylene ether
    • D89731
    • A834826
    • Q2234483
    • 1,3-Dioxlane, 99.5%, contains ~75 ppm BHT as stabilizer
    • 1,3-Dioxacyclopentane,Anhydrous, Contains ~ 75 ppm BHT as inhibitor.
    • 1,3-Dioxolane, anhydrous, contains ~75 ppm BHT as inhibitor, 99.8%
    • 1,3-Dioxolane, ReagentPlus(R), contains ~75 ppm BHT as inhibitor, 99%
    • 1,3-Dioxlane, 99.8%,with molecular sieves, stabilized with BHT, Water
    • 25067-64-5

  • Applications

    1,3-Dioxolane is commonly used as a solvent in industrial coatings, inks, and cleaning formulations, offering suitable volatility and polarity for formulation work; it also serves as a cyclic acetal protecting group for aldehydes and ketones in organic synthesis, enabling selective transformations by safeguarding carbonyl functionality; in the electronics and materials sector, it is used as a co-solvent in lithium battery electrolytes to improve solvation and manage polysulfides; in polymer and materials chemistry, it is studied as a potential monomer precursor or building block for acetal-containing polymers and related specialty materials in research settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1428.33
    methanol 1852.85
    isopropanol 1015.8
    water 712.71
    ethyl acetate 243.91
    n-propanol 791.38
    acetone 698.86
    n-butanol 469.24
    acetonitrile 718.27
    DMF 1572.0
    toluene 54.34
    isobutanol 443.42
    1,4-dioxane 485.58
    methyl acetate 440.87
    THF 563.93
    2-butanone 350.58
    n-pentanol 202.41
    sec-butanol 521.65
    n-hexane 19.61
    ethylene glycol 1194.14
    NMP 776.59
    cyclohexane 39.48
    DMSO 972.8
    n-butyl acetate 85.61
    n-octanol 87.87
    chloroform 834.19
    n-propyl acetate 102.83
    acetic acid 2958.12
    dichloromethane 656.93
    cyclohexanone 220.92
    propylene glycol 1050.19
    isopropyl acetate 104.07
    DMAc 965.51
    2-ethoxyethanol 523.77
    isopentanol 221.79
    n-heptane 25.29
    ethyl formate 221.47
    1,2-dichloroethane 280.03
    n-hexanol 157.94
    2-methoxyethanol 1241.62
    isobutyl acetate 54.92
    tetrachloromethane 168.37
    n-pentyl acetate 56.37
    transcutol 559.66
    n-heptanol 85.15
    ethylbenzene 22.25
    MIBK 74.19
    2-propoxyethanol 384.55
    tert-butanol 626.25
    MTBE 189.44
    2-butoxyethanol 216.43
    propionic acid 999.26
    o-xylene 47.43
    formic acid 2134.88
    diethyl ether 243.62
    m-xylene 36.74
    p-xylene 34.86
    chlorobenzene 87.9
    dimethyl carbonate 158.64
    n-octane 8.27
    formamide 1713.34
    cyclopentanone 370.05
    2-pentanone 183.71
    anisole 87.49
    cyclopentyl methyl ether 197.94
    gamma-butyrolactone 479.27
    1-methoxy-2-propanol 722.45
    pyridine 400.51
    3-pentanone 168.79
    furfural 415.91
    n-dodecane 6.6
    diethylene glycol 498.65
    diisopropyl ether 43.14
    tert-amyl alcohol 361.24
    acetylacetone 171.74
    n-hexadecane 6.94
    acetophenone 84.65
    methyl propionate 285.81
    isopentyl acetate 56.72
    trichloroethylene 556.62
    n-nonanol 73.8
    cyclohexanol 279.97
    benzyl alcohol 129.82
    2-ethylhexanol 70.19
    isooctanol 54.94
    dipropyl ether 104.3
    1,2-dichlorobenzene 78.35
    ethyl lactate 110.16
    propylene carbonate 189.0
    n-methylformamide 1000.0
    2-pentanol 253.37
    n-pentane 38.58
    1-propoxy-2-propanol 251.69
    1-methoxy-2-propyl acetate 116.49
    2-(2-methoxypropoxy) propanol 140.05
    mesitylene 22.8
    ε-caprolactone 213.23
    p-cymene 26.26
    epichlorohydrin 408.7
    1,1,1-trichloroethane 280.92
    2-aminoethanol 1434.94
    morpholine-4-carbaldehyde 640.39
    sulfolane 414.52
    2,2,4-trimethylpentane 14.62
    2-methyltetrahydrofuran 330.46
    n-hexyl acetate 82.0
    isooctane 8.06
    2-(2-butoxyethoxy)ethanol 199.27
    sec-butyl acetate 56.08
    tert-butyl acetate 84.84
    decalin 10.75
    glycerin 1191.96
    diglyme 345.83
    acrylic acid 1188.3
    isopropyl myristate 31.07
    n-butyric acid 561.32
    acetyl acetate 164.26
    di(2-ethylhexyl) phthalate 40.53
    ethyl propionate 103.2
    nitromethane 1672.72
    1,2-diethoxyethane 114.14
    benzonitrile 111.57
    trioctyl phosphate 30.56
    1-bromopropane 167.35
    gamma-valerolactone 434.28
    n-decanol 52.42
    triethyl phosphate 44.15
    4-methyl-2-pentanol 80.89
    propionitrile 340.25
    vinylene carbonate 198.6
    1,1,2-trichlorotrifluoroethane 744.72
    DMS 88.18
    cumene 19.31
    2-octanol 47.54
    2-hexanone 83.74
    octyl acetate 50.73
    limonene 46.68
    1,2-dimethoxyethane 388.85
    ethyl orthosilicate 43.98
    tributyl phosphate 33.24
    diacetone alcohol 178.63
    N,N-dimethylaniline 76.08
    acrylonitrile 495.2
    aniline 217.41
    1,3-propanediol 978.16
    bromobenzene 65.12
    dibromomethane 384.8
    1,1,2,2-tetrachloroethane 444.18
    2-methyl-cyclohexyl acetate 52.41
    tetrabutyl urea 51.61
    diisobutyl methanol 38.37
    2-phenylethanol 99.5
    styrene 34.84
    dioctyl adipate 54.44
    dimethyl sulfate 229.01
    ethyl butyrate 77.58
    methyl lactate 277.75
    butyl lactate 72.6
    diethyl carbonate 53.6
    propanediol butyl ether 203.72
    triethyl orthoformate 60.23
    p-tert-butyltoluene 27.99
    methyl 4-tert-butylbenzoate 88.67
    morpholine 770.9
    tert-butylamine 355.21
    n-dodecanol 39.76
    dimethoxymethane 458.53
    ethylene carbonate 147.72
    cyrene 140.1
    2-ethoxyethyl acetate 95.49
    2-ethylhexyl acetate 43.65
    1,2,4-trichlorobenzene 115.66
    4-methylpyridine 231.37
    dibutyl ether 51.34
    2,6-dimethyl-4-heptanol 38.37
    DEF 319.22
    dimethyl isosorbide 144.55
    tetrachloroethylene 357.7
    eugenol 105.62
    triacetin 119.05
    span 80 143.24
    1,4-butanediol 375.38
    1,1-dichloroethane 370.19
    2-methyl-1-pentanol 104.69
    methyl formate 549.32
    2-methyl-1-butanol 263.36
    n-decane 11.09
    butyronitrile 240.85
    3,7-dimethyl-1-octanol 60.55
    1-chlorooctane 36.06
    1-chlorotetradecane 14.99
    n-nonane 10.93
    undecane 8.02
    tert-butylcyclohexane 10.76
    cyclooctane 11.56
    cyclopentanol 458.5
    tetrahydropyran 324.42
    tert-amyl methyl ether 141.44
    2,5,8-trioxanonane 238.26
    1-hexene 53.47
    2-isopropoxyethanol 267.85
    2,2,2-trifluoroethanol 1243.87
    methyl butyrate 122.33

    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