Dimethoxane

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  • Identifiers

    CAS number
    828-00-2

    Molecular formula
    C8H14O4

    SMILES
    CC1CC(OC(O1)C)OC(=O)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Fruity 75.79%
    Sweet 61.44%
    Green 54.65%
    Ethereal 42.97%
    Fresh 39.24%
    Floral 36.68%
    Winey 30.53%
    Rummy 29.57%
    Apple 28.54%
    Herbal 27.54%

     

    Flavor
    Sweet 54.38%
    Fruity 46.92%
    Green 43.58%
    Bitter 40.4%
    Herbal 32.18%
    Tropical 32.13%
    Musty 31.85%
    Woody 30.65%
    Fruit 29.57%
    Nutty 28.81%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    6.8 (neutral)

    Molecular weight
    174.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • less than -13 °F (NTP, 1992)
    • FP: LESS THAN 25 °C

    Boiling point

    • 367 °F at 760 mmHg (NTP, 1992)
    • 74-75 °C @ 6 mm Hg

    Flash point

    • 76.11 ˚C est.
    • 142 °F (NTP, 1992)
    • 61 °C

    Solubility expt.

    • Miscible (NTP, 1992)
    • MISCIBLE WITH WATER, MANY ORG SOLVENTS

  • Synonyms

    • DIMETHOXANE
    • 828-00-2
    • Acetomethoxane
    • 1,3-Dioxan-4-ol, 2,6-dimethyl-, acetate
    • GIV Gard DXN
    • GIV Gard DXN-CO
    • G1V Gard DXN
    • Caswell No. 363
    • Dioxin CO
    • 2,6-Dimethyl-1,3-dioxan-4-ol acetate
    • NCI-C56213
    • 6-Acetoxy-2,4-dimethyl-m-dioxane
    • Dioxin (bactericide)
    • 2,4-Dimethyl-6-m-dioxanyl acetate
    • Dimethoxane, commercial grade
    • CCRIS 246
    • Dioxin (bactericide) (Obs.)
    • 2,6-Dimethyl-m-dioxan-4-ol acetate
    • 2,6-Dimethyl-m-dioxan-4-yl acetate
    • Acetomethoxan
    • 2,4-Dimethyl-6-acetoxy-1,3-dioxane
    • 6-Acetoxy-2,4-dimethyl-1,3-dioxane
    • HSDB 4311
    • m-Dioxan-4-ol, 2,6-dimethyl-, acetate
    • EINECS 212-579-9
    • UNII-S0859MSI8I
    • 6-Acetoxy-2,4-dimethyl-meta-dioxane
    • EPA Pesticide Chemical Code 001001
    • Acetic acid, 2,6-dimethyl-m-dioxan-4-yl ester
    • 2,6-Dimethyl-meta-dioxan-4-ol acetate
    • 2,6-Dimethyl-meta-dioxan-4-yl acetate
    • BRN 0128710
    • S0859MSI8I
    • 2,6-Dimethyl-1,3-dioxan-4-yl acetate
    • DTXSID6020480
    • AI3-51032
    • DIMETHOXANE [MI]
    • DIMETHOXANE [HSDB]
    • DIMETHOXANE [IARC]
    • 2,6-Dimethyl-1,3-dioxan-4-yl acetat
    • Acetic acid, ester with 2,6-dimethyl-m-dioxan-4-ol
    • DTXCID00480
    • CHEBI:82450
    • 1,3-Dioxan-4-ol, 2,6-dimethyl-, 4-acetate
    • 2,6-Dimethyl-1,3-dioxan-4-yl acetat [IUPAC]
    • 4-19-00-00641 (Beilstein Handbook Reference)
    • Dioxan-4-ol, 2,6-dimethyl-, acetate
    • Ddoa
    • DIMETHOXANE (IARC)
    • 2,6-Dimethyl-m-dioxan-4-yl ester acetic acid
    • (2,6-dimethyl-1,3-dioxan-4-yl) acetate
    • CAS-828-00-2
    • 2,6-Dimethyl-1,3-dioxan-4-yl acetat (IUPAC)
    • GIV Gard DXNCO
    • 6Acetoxy2,4dimethylmdioxane
    • SCHEMBL8937
    • 2,4Dimethyl6mdioxanyl acetate
    • 2,6Dimethylmdioxan4ol acetate
    • 2,6Dimethylmdioxan4yl acetate
    • 6Acetoxy2,4dimethylmetadioxane
    • 2,4Dimethyl6acetoxy1,3dioxane
    • 6Acetoxy2,4dimethyl1,3dioxane
    • CHEMBL1484947
    • 2,6Dimethylmetadioxan4ol acetate
    • 2,6Dimethylmetadioxan4yl acetate
    • 2,6Dimethyl1,3dioxan4ol acetate
    • 6-Acetoxy-2,4-dimethyl-m-dioxan
    • mDioxan4ol, 2,6dimethyl, acetate
    • 2,6-dimethyl-m-dioxan-4-olacetate
    • Tox21_202123
    • Tox21_300414
    • 1,3Dioxan4ol, 2,6dimethyl, acetate
    • AKOS015913410
    • NCGC00090862-01
    • NCGC00090862-02
    • NCGC00090862-03
    • NCGC00090862-04
    • NCGC00254247-01
    • NCGC00259672-01
    • Acetic acid, 2,6dimethylmdioxan4yl ester
    • 2,6-Dimethyl-1,3-dioxan-4-yl acetate #
    • NS00007523
    • C19402
    • 1,3-DIOXAN-4-OL, 2-6-DIMETHYL-, ACETATE
    • Q26840787
    • 212-579-9

  • Applications

    Dimethoxane (CAS 828-00-2) is primarily used as an intermediate in organic synthesis and as a processing aid in various industrial formulations. It can function as a solvent or co-solvent in polymer processing and formulation work, and it may serve in coatings and inks, as well as in adhesives. In cosmetics and personal care, it is often evaluated as a processing additive, and it may be employed in cleaning formulations where appropriate; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 401.73
    methanol 818.67
    isopropanol 239.95
    water 241.3
    ethyl acetate 288.5
    n-propanol 223.09
    acetone 535.03
    n-butanol 176.3
    acetonitrile 486.08
    DMF 821.0
    toluene 84.2
    isobutanol 149.65
    1,4-dioxane 630.94
    methyl acetate 348.25
    THF 743.83
    2-butanone 213.08
    n-pentanol 111.2
    sec-butanol 169.0
    n-hexane 10.57
    ethylene glycol 290.47
    NMP 930.8
    cyclohexane 25.78
    DMSO 633.39
    n-butyl acetate 71.01
    n-octanol 75.5
    chloroform 545.14
    n-propyl acetate 109.9
    acetic acid 1159.64
    dichloromethane 618.74
    cyclohexanone 388.61
    propylene glycol 238.44
    isopropyl acetate 129.4
    DMAc 805.54
    2-ethoxyethanol 287.29
    isopentanol 117.65
    n-heptane 6.8
    ethyl formate 300.98
    1,2-dichloroethane 255.38
    n-hexanol 74.09
    2-methoxyethanol 685.11
    isobutyl acetate 63.82
    tetrachloromethane 51.88
    n-pentyl acetate 66.06
    transcutol 572.36
    n-heptanol 40.78
    ethylbenzene 44.51
    MIBK 83.64
    2-propoxyethanol 235.48
    tert-butanol 241.56
    MTBE 107.01
    2-butoxyethanol 110.47
    propionic acid 464.24
    o-xylene 78.89
    formic acid 872.57
    diethyl ether 151.57
    m-xylene 64.16
    p-xylene 73.12
    chlorobenzene 143.59
    dimethyl carbonate 183.64
    n-octane 4.18
    formamide 841.03
    cyclopentanone 446.93
    2-pentanone 158.59
    anisole 139.63
    cyclopentyl methyl ether 209.21
    gamma-butyrolactone 786.57
    1-methoxy-2-propanol 373.57
    pyridine 323.04
    3-pentanone 131.96
    furfural 724.77
    n-dodecane 6.25
    diethylene glycol 297.08
    diisopropyl ether 32.74
    tert-amyl alcohol 164.6
    acetylacetone 303.08
    n-hexadecane 6.98
    acetophenone 161.4
    methyl propionate 265.02
    isopentyl acetate 59.04
    trichloroethylene 510.42
    n-nonanol 64.74
    cyclohexanol 226.86
    benzyl alcohol 160.95
    2-ethylhexanol 42.7
    isooctanol 33.9
    dipropyl ether 52.01
    1,2-dichlorobenzene 145.32
    ethyl lactate 103.93
    propylene carbonate 394.51
    n-methylformamide 568.45
    2-pentanol 90.61
    n-pentane 11.72
    1-propoxy-2-propanol 123.16
    1-methoxy-2-propyl acetate 130.43
    2-(2-methoxypropoxy) propanol 177.0
    mesitylene 38.59
    ε-caprolactone 394.19
    p-cymene 29.17
    epichlorohydrin 587.37
    1,1,1-trichloroethane 201.88
    2-aminoethanol 335.49
    morpholine-4-carbaldehyde 855.1
    sulfolane 662.03
    2,2,4-trimethylpentane 7.79
    2-methyltetrahydrofuran 365.35
    n-hexyl acetate 132.03
    isooctane 4.09
    2-(2-butoxyethoxy)ethanol 215.98
    sec-butyl acetate 67.93
    tert-butyl acetate 110.86
    decalin 13.22
    glycerin 399.83
    diglyme 355.47
    acrylic acid 499.54
    isopropyl myristate 51.12
    n-butyric acid 366.79
    acetyl acetate 280.82
    di(2-ethylhexyl) phthalate 73.47
    ethyl propionate 129.9
    nitromethane 1422.33
    1,2-diethoxyethane 121.13
    benzonitrile 193.93
    trioctyl phosphate 46.35
    1-bromopropane 100.64
    gamma-valerolactone 772.89
    n-decanol 46.96
    triethyl phosphate 59.65
    4-methyl-2-pentanol 48.56
    propionitrile 215.31
    vinylene carbonate 453.59
    1,1,2-trichlorotrifluoroethane 479.49
    DMS 161.63
    cumene 37.92
    2-octanol 34.74
    2-hexanone 83.79
    octyl acetate 73.98
    limonene 38.09
    1,2-dimethoxyethane 420.96
    ethyl orthosilicate 53.1
    tributyl phosphate 63.85
    diacetone alcohol 160.17
    N,N-dimethylaniline 108.04
    acrylonitrile 332.54
    aniline 186.15
    1,3-propanediol 346.08
    bromobenzene 117.14
    dibromomethane 271.76
    1,1,2,2-tetrachloroethane 355.2
    2-methyl-cyclohexyl acetate 76.29
    tetrabutyl urea 87.88
    diisobutyl methanol 27.19
    2-phenylethanol 101.51
    styrene 54.31
    dioctyl adipate 100.5
    dimethyl sulfate 287.96
    ethyl butyrate 81.43
    methyl lactate 211.31
    butyl lactate 75.45
    diethyl carbonate 77.36
    propanediol butyl ether 151.58
    triethyl orthoformate 62.57
    p-tert-butyltoluene 26.86
    methyl 4-tert-butylbenzoate 138.82
    morpholine 636.99
    tert-butylamine 125.34
    n-dodecanol 36.6
    dimethoxymethane 410.88
    ethylene carbonate 339.06
    cyrene 199.28
    2-ethoxyethyl acetate 122.16
    2-ethylhexyl acetate 47.07
    1,2,4-trichlorobenzene 187.85
    4-methylpyridine 335.18
    dibutyl ether 60.74
    2,6-dimethyl-4-heptanol 27.19
    DEF 284.29
    dimethyl isosorbide 262.98
    tetrachloroethylene 222.05
    eugenol 138.31
    triacetin 207.15
    span 80 149.01
    1,4-butanediol 131.27
    1,1-dichloroethane 233.92
    2-methyl-1-pentanol 91.64
    methyl formate 524.94
    2-methyl-1-butanol 124.01
    n-decane 9.09
    butyronitrile 196.96
    3,7-dimethyl-1-octanol 60.81
    1-chlorooctane 34.04
    1-chlorotetradecane 18.14
    n-nonane 8.18
    undecane 7.27
    tert-butylcyclohexane 11.0
    cyclooctane 7.61
    cyclopentanol 269.57
    tetrahydropyran 322.37
    tert-amyl methyl ether 89.49
    2,5,8-trioxanonane 300.44
    1-hexene 32.84
    2-isopropoxyethanol 152.19
    2,2,2-trifluoroethanol 461.29
    methyl butyrate 163.15

    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