2-Methyl-1,3-dioxane

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  • Identifiers

    CAS number
    626-68-6

    Molecular formula
    C5H10O2

    SMILES
    CC1OCCCO1

    Safety labels

  • Odor profile

    Fragrance
    Fruity 78.55%
    Sweet 70.59%
    Ethereal 66.04%
    Green 62.3%
    Rummy 37.3%
    Fresh 32.26%
    Musty 29.32%
    Woody 28.42%
    Alcoholic 27.51%
    Aromatic 27.41%

     

    Flavor
    Green 46.61%
    Vegetable 44.41%
    Sweet 42.95%
    Earthy 33.8%
    Nutty 31.49%
    Caramel 30.61%
    Musty 24.87%
    Potato 23.7%
    Roasted 23.65%
    Cauliflower 21.99%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    7.02 (neutral)

    Molecular weight
    102.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    105°C

    Flash point

    • 12.86 ˚C est.

  • Synonyms

    • 2-Methyl-1,3-dioxane
    • 1,3-Dioxane, 2-methyl-
    • m-Dioxane, 2-methyl-
    • 2-Methyl-m-dioxane
    • 2-Methyl-1,3-dioxacyclohexane
    • DTXSID20211651
    • RefChem:87965
    • DTXCID50134142
    • HDGHQFQMWUTHKL-UHFFFAOYSA-N
    • 626-68-6
    • 1,3-Dioxane,2-methyl-
    • SCHEMBL302060
    • SCHEMBL1531424
    • SCHEMBL1786152
    • SCHEMBL11203268
    • SCHEMBL27081388
    • SCHEMBL27164651
    • NS00121861
    • H39894
    • 626-68-6

  • Applications

    2-Methyl-1,3-dioxane is typically used as an organic solvent and as a building block in chemical synthesis. In industry, it may serve as a solvent for coatings, inks, and cleaning formulations. It can act as an intermediate for the preparation of other acetal derivatives and related chemicals. It is encountered as a processing aid in polymer and plastics formulations, and as a precursor to additional dioxane-based derivatives in chemical manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 523.08
    methanol 746.27
    isopropanol 309.54
    water 24.7
    ethyl acetate 370.47
    n-propanol 332.68
    acetone 407.15
    n-butanol 279.27
    acetonitrile 609.23
    DMF 424.66
    toluene 179.59
    isobutanol 200.59
    1,4-dioxane 550.19
    methyl acetate 345.86
    THF 657.18
    2-butanone 319.83
    n-pentanol 172.9
    sec-butanol 252.5
    n-hexane 50.18
    ethylene glycol 141.4
    NMP 506.6
    cyclohexane 81.26
    DMSO 537.46
    n-butyl acetate 163.51
    n-octanol 77.35
    chloroform 1540.23
    n-propyl acetate 135.78
    acetic acid 810.71
    dichloromethane 1405.55
    cyclohexanone 367.96
    propylene glycol 131.5
    isopropyl acetate 158.54
    DMAc 391.33
    2-ethoxyethanol 284.56
    isopentanol 177.11
    n-heptane 39.69
    ethyl formate 232.0
    1,2-dichloroethane 583.12
    n-hexanol 144.71
    2-methoxyethanol 514.61
    isobutyl acetate 75.39
    tetrachloromethane 319.01
    n-pentyl acetate 116.57
    transcutol 644.93
    n-heptanol 68.15
    ethylbenzene 57.39
    MIBK 101.1
    2-propoxyethanol 269.37
    tert-butanol 277.24
    MTBE 201.92
    2-butoxyethanol 133.74
    propionic acid 408.34
    o-xylene 99.14
    formic acid 430.84
    diethyl ether 336.85
    m-xylene 88.32
    p-xylene 84.38
    chlorobenzene 279.05
    dimethyl carbonate 71.89
    n-octane 14.52
    formamide 448.18
    cyclopentanone 451.9
    2-pentanone 222.58
    anisole 145.0
    cyclopentyl methyl ether 268.17
    gamma-butyrolactone 574.83
    1-methoxy-2-propanol 309.85
    pyridine 545.58
    3-pentanone 187.38
    furfural 553.31
    n-dodecane 11.17
    diethylene glycol 231.87
    diisopropyl ether 65.55
    tert-amyl alcohol 232.76
    acetylacetone 223.93
    n-hexadecane 12.51
    acetophenone 120.99
    methyl propionate 228.1
    isopentyl acetate 109.41
    trichloroethylene 995.29
    n-nonanol 69.57
    cyclohexanol 225.01
    benzyl alcohol 144.47
    2-ethylhexanol 84.61
    isooctanol 55.74
    dipropyl ether 128.9
    1,2-dichlorobenzene 214.55
    ethyl lactate 67.85
    propylene carbonate 244.81
    n-methylformamide 360.39
    2-pentanol 155.17
    n-pentane 58.71
    1-propoxy-2-propanol 171.64
    1-methoxy-2-propyl acetate 137.56
    2-(2-methoxypropoxy) propanol 139.34
    mesitylene 50.17
    ε-caprolactone 343.74
    p-cymene 49.42
    epichlorohydrin 586.58
    1,1,1-trichloroethane 574.1
    2-aminoethanol 261.59
    morpholine-4-carbaldehyde 468.38
    sulfolane 492.64
    2,2,4-trimethylpentane 23.58
    2-methyltetrahydrofuran 495.35
    n-hexyl acetate 136.69
    isooctane 13.85
    2-(2-butoxyethoxy)ethanol 179.96
    sec-butyl acetate 84.77
    tert-butyl acetate 120.5
    decalin 26.7
    glycerin 191.72
    diglyme 344.85
    acrylic acid 378.44
    isopropyl myristate 56.28
    n-butyric acid 402.38
    acetyl acetate 247.15
    di(2-ethylhexyl) phthalate 59.16
    ethyl propionate 123.64
    nitromethane 816.45
    1,2-diethoxyethane 235.18
    benzonitrile 227.68
    trioctyl phosphate 37.18
    1-bromopropane 387.88
    gamma-valerolactone 540.33
    n-decanol 49.03
    triethyl phosphate 61.16
    4-methyl-2-pentanol 69.35
    propionitrile 368.94
    vinylene carbonate 237.26
    1,1,2-trichlorotrifluoroethane 440.27
    DMS 105.58
    cumene 42.98
    2-octanol 49.14
    2-hexanone 131.44
    octyl acetate 71.5
    limonene 75.54
    1,2-dimethoxyethane 347.12
    ethyl orthosilicate 61.03
    tributyl phosphate 54.87
    diacetone alcohol 136.93
    N,N-dimethylaniline 92.31
    acrylonitrile 435.84
    aniline 285.07
    1,3-propanediol 291.05
    bromobenzene 281.95
    dibromomethane 880.86
    1,1,2,2-tetrachloroethane 701.18
    2-methyl-cyclohexyl acetate 82.12
    tetrabutyl urea 65.77
    diisobutyl methanol 49.59
    2-phenylethanol 118.03
    styrene 88.11
    dioctyl adipate 86.34
    dimethyl sulfate 121.91
    ethyl butyrate 116.55
    methyl lactate 108.08
    butyl lactate 75.24
    diethyl carbonate 76.59
    propanediol butyl ether 102.96
    triethyl orthoformate 84.36
    p-tert-butyltoluene 47.45
    methyl 4-tert-butylbenzoate 101.0
    morpholine 598.45
    tert-butylamine 194.1
    n-dodecanol 37.49
    dimethoxymethane 243.37
    ethylene carbonate 197.02
    cyrene 115.07
    2-ethoxyethyl acetate 162.83
    2-ethylhexyl acetate 90.55
    1,2,4-trichlorobenzene 265.27
    4-methylpyridine 422.29
    dibutyl ether 105.86
    2,6-dimethyl-4-heptanol 49.59
    DEF 282.54
    dimethyl isosorbide 209.43
    tetrachloroethylene 516.61
    eugenol 100.49
    triacetin 138.08
    span 80 120.75
    1,4-butanediol 109.51
    1,1-dichloroethane 658.88
    2-methyl-1-pentanol 127.5
    methyl formate 210.41
    2-methyl-1-butanol 183.1
    n-decane 19.69
    butyronitrile 323.0
    3,7-dimethyl-1-octanol 77.5
    1-chlorooctane 61.74
    1-chlorotetradecane 26.61
    n-nonane 20.01
    undecane 13.98
    tert-butylcyclohexane 24.37
    cyclooctane 26.36
    cyclopentanol 276.48
    tetrahydropyran 439.83
    tert-amyl methyl ether 159.97
    2,5,8-trioxanonane 252.43
    1-hexene 113.35
    2-isopropoxyethanol 166.82
    2,2,2-trifluoroethanol 280.63
    methyl butyrate 155.34

    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