1,3-Dioxane, 2,4-dimethyl-

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  • Identifiers

    CAS number
    766-20-1

    Molecular formula
    C6H12O2

    SMILES
    CC1CCOC(O1)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 78.23%
    Green 73.17%
    Ethereal 67.14%
    Sweet 60.67%
    Fresh 37.36%
    Rummy 35.38%
    Woody 34.81%
    Musty 31.69%
    Herbal 28.92%
    Alcoholic 28.67%

     

    Flavor
    Green 67.22%
    Vegetable 51.17%
    Sweet 43.69%
    Earthy 43.35%
    Nutty 38.74%
    Caramel 33.4%
    Potato 31.06%
    Musty 30.92%
    Raw 26.51%
    Herbal 25.43%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    7.22 (neutral)

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    121°C

    Flash point

    • 14.28 ˚C est.

  • Synonyms

    • 2,4-Dimethyl-1,3-dioxane
    • 766-20-1
    • 1,3-DIOXANE, 2,4-DIMETHYL-
    • m-Dioxane, 2,4-dimethyl-
    • EINECS 212-162-1
    • NSC 60701
    • BRN 0102845
    • DTXSID40870769
    • 5-19-01-00072 (Beilstein Handbook Reference)
    • RefChem:414732
    • DTXCID80818463
    • m-Dioxane, 2,4-dimethyl-(8CI)
    • 212-162-1
    • 2,4-Dimethyl-m-dioxane
    • cis-2,4-Dimethyl-1,3-dioxane
    • MFCD00023821
    • 15042-59-8
    • NSC60701
    • SCHEMBL338488
    • 2,4-dimethyl-[1,3]dioxane
    • orb2279214
    • SCHEMBL1937418
    • SCHEMBL15407084
    • trans-2,4-dimethyl-1,3-dioxane
    • m-Dioxane, 2,4-dimethyl-, trans-
    • NSC-60701
    • AKOS015842740
    • DB-056099
    • CS-0455518
    • D0708
    • NS00042545
    • D89707
    • 766-20-1

  • Applications

    1,3-Dioxane, 2,4-dimethyl- (CAS 766-20-1) is used as a specialty solvent and as an organic synthesis intermediate. In industrial manufacturing, it may serve as a solvent or processing aid in coatings, inks, and polymer resin formulations, and as a precursor for the preparation of cyclic acetals in fine chemicals. It is sometimes evaluated for fragrance-related applications as an odorant or fragrance ingredient in perfumery and household products, under appropriate regulatory controls. It can also be employed as a solvent or cleaning aid in industrial manufacturing and electronics-related formulations, where controlled solubility and volatility are required. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 942.34
    methanol 1158.82
    isopropanol 570.56
    water 37.35
    ethyl acetate 458.28
    n-propanol 591.82
    acetone 500.44
    n-butanol 514.01
    acetonitrile 613.6
    DMF 449.35
    toluene 230.41
    isobutanol 356.46
    1,4-dioxane 835.44
    methyl acetate 412.89
    THF 868.38
    2-butanone 376.03
    n-pentanol 305.68
    sec-butanol 453.24
    n-hexane 88.16
    ethylene glycol 274.3
    NMP 564.6
    cyclohexane 140.0
    DMSO 597.87
    n-butyl acetate 221.94
    n-octanol 150.48
    chloroform 1606.78
    n-propyl acetate 157.28
    acetic acid 1144.72
    dichloromethane 1442.57
    cyclohexanone 499.34
    propylene glycol 267.29
    isopropyl acetate 200.22
    DMAc 439.1
    2-ethoxyethanol 415.17
    isopentanol 324.35
    n-heptane 58.87
    ethyl formate 253.72
    1,2-dichloroethane 582.19
    n-hexanol 320.18
    2-methoxyethanol 737.08
    isobutyl acetate 100.22
    tetrachloromethane 313.55
    n-pentyl acetate 161.25
    transcutol 1109.94
    n-heptanol 130.04
    ethylbenzene 74.17
    MIBK 141.53
    2-propoxyethanol 487.05
    tert-butanol 483.02
    MTBE 317.41
    2-butoxyethanol 216.52
    propionic acid 556.77
    o-xylene 130.86
    formic acid 581.2
    diethyl ether 504.47
    m-xylene 127.19
    p-xylene 103.21
    chlorobenzene 309.1
    dimethyl carbonate 92.16
    n-octane 21.55
    formamide 485.36
    cyclopentanone 519.24
    2-pentanone 278.46
    anisole 180.56
    cyclopentyl methyl ether 373.04
    gamma-butyrolactone 638.99
    1-methoxy-2-propanol 464.39
    pyridine 566.83
    3-pentanone 234.96
    furfural 546.37
    n-dodecane 18.92
    diethylene glycol 437.25
    diisopropyl ether 104.75
    tert-amyl alcohol 384.34
    acetylacetone 283.98
    n-hexadecane 20.81
    acetophenone 136.63
    methyl propionate 293.91
    isopentyl acetate 163.75
    trichloroethylene 919.66
    n-nonanol 128.85
    cyclohexanol 424.17
    benzyl alcohol 177.23
    2-ethylhexanol 152.36
    isooctanol 96.12
    dipropyl ether 179.12
    1,2-dichlorobenzene 233.53
    ethyl lactate 91.83
    propylene carbonate 272.33
    n-methylformamide 385.33
    2-pentanol 294.63
    n-pentane 100.83
    1-propoxy-2-propanol 281.81
    1-methoxy-2-propyl acetate 203.12
    2-(2-methoxypropoxy) propanol 218.63
    mesitylene 71.91
    ε-caprolactone 429.66
    p-cymene 66.58
    epichlorohydrin 595.47
    1,1,1-trichloroethane 559.51
    2-aminoethanol 450.87
    morpholine-4-carbaldehyde 588.41
    sulfolane 551.62
    2,2,4-trimethylpentane 40.04
    2-methyltetrahydrofuran 682.41
    n-hexyl acetate 235.34
    isooctane 24.71
    2-(2-butoxyethoxy)ethanol 295.85
    sec-butyl acetate 110.28
    tert-butyl acetate 169.4
    decalin 40.86
    glycerin 334.52
    diglyme 477.8
    acrylic acid 456.13
    isopropyl myristate 87.69
    n-butyric acid 547.98
    acetyl acetate 319.81
    di(2-ethylhexyl) phthalate 88.05
    ethyl propionate 142.49
    nitromethane 861.16
    1,2-diethoxyethane 323.32
    benzonitrile 245.39
    trioctyl phosphate 59.59
    1-bromopropane 433.57
    gamma-valerolactone 651.47
    n-decanol 89.82
    triethyl phosphate 78.77
    4-methyl-2-pentanol 129.21
    propionitrile 390.91
    vinylene carbonate 274.67
    1,1,2-trichlorotrifluoroethane 486.81
    DMS 153.87
    cumene 57.96
    2-octanol 92.02
    2-hexanone 162.09
    octyl acetate 116.29
    limonene 108.28
    1,2-dimethoxyethane 452.28
    ethyl orthosilicate 78.83
    tributyl phosphate 83.44
    diacetone alcohol 202.23
    N,N-dimethylaniline 119.75
    acrylonitrile 413.19
    aniline 368.25
    1,3-propanediol 483.44
    bromobenzene 312.0
    dibromomethane 943.6
    1,1,2,2-tetrachloroethane 696.11
    2-methyl-cyclohexyl acetate 117.06
    tetrabutyl urea 96.27
    diisobutyl methanol 80.38
    2-phenylethanol 182.18
    styrene 105.15
    dioctyl adipate 126.16
    dimethyl sulfate 141.73
    ethyl butyrate 138.07
    methyl lactate 148.98
    butyl lactate 111.83
    diethyl carbonate 94.41
    propanediol butyl ether 188.3
    triethyl orthoformate 107.46
    p-tert-butyltoluene 66.56
    methyl 4-tert-butylbenzoate 142.81
    morpholine 867.4
    tert-butylamine 328.66
    n-dodecanol 69.48
    dimethoxymethane 331.25
    ethylene carbonate 234.48
    cyrene 159.54
    2-ethoxyethyl acetate 225.82
    2-ethylhexyl acetate 133.35
    1,2,4-trichlorobenzene 290.03
    4-methylpyridine 461.04
    dibutyl ether 166.2
    2,6-dimethyl-4-heptanol 80.38
    DEF 324.62
    dimethyl isosorbide 297.37
    tetrachloroethylene 510.21
    eugenol 138.27
    triacetin 205.71
    span 80 194.32
    1,4-butanediol 193.87
    1,1-dichloroethane 650.17
    2-methyl-1-pentanol 222.46
    methyl formate 252.05
    2-methyl-1-butanol 338.51
    n-decane 31.44
    butyronitrile 361.59
    3,7-dimethyl-1-octanol 140.6
    1-chlorooctane 101.74
    1-chlorotetradecane 42.81
    n-nonane 32.88
    undecane 23.18
    tert-butylcyclohexane 39.17
    cyclooctane 41.82
    cyclopentanol 445.94
    tetrahydropyran 669.08
    tert-amyl methyl ether 244.76
    2,5,8-trioxanonane 363.58
    1-hexene 189.59
    2-isopropoxyethanol 246.74
    2,2,2-trifluoroethanol 319.17
    methyl butyrate 168.54

    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