Methanol, 1,1-diethoxy-, 1-acetate

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  • Identifiers

    CAS number
    14036-06-7

    Molecular formula
    C7H14O4

    SMILES
    CCOC(OCC)OC(=O)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 55.29%
    Ethereal 54.14%
    Fresh 52.35%
    Green 46.5%
    Sweet 39.71%
    Winey 34.48%
    Apple 33.3%
    Alcoholic 32.73%
    Sharp 26.78%
    Rummy 26.0%

     

    Flavor
    Fruity 71.77%
    Green 60.19%
    Sweet 49.46%
    Bitter 47.38%
    Fruit 42.36%
    Tropical 36.93%
    Ethereal 34.43%
    Pineapple 34.34%
    Ether 32.34%
    Fatty 31.5%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    7.8 (neutral)

    Molecular weight
    162.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    171°C

    Flash point

    • 59.01 ˚C est.

  • Synonyms

    • Diethoxymethyl acetate
    • 14036-06-7
    • Methanol, 1,1-diethoxy-, 1-acetate
    • DTXSID80884547
    • RefChem:133359
    • DTXCID601023982
    • 237-873-4
    • Diethoxymethylacetate
    • MFCD00009229
    • Methanol, diethoxy-, acetate
    • Acetic Acid Diethoxymethyl Ester
    • Methyl2,2-diethoxyacetate
    • Diethoxymethanol Acetate; NSC 158267; 1,1-Diethoxymethanol 1-Acetate
    • EINECS 237-873-4
    • NSC 158267
    • Diethoxymethyl acetate, 96%
    • SCHEMBL662137
    • QSPL 099
    • SCHEMBL6437696
    • Diethoxy-acetic acid methyl ester
    • NSC158267
    • AKOS005173939
    • AB11117
    • NSC-158267
    • AS-44519
    • SY002886
    • DB-042514
    • A1608
    • CS-0147298
    • NS00052934
    • 14036-06-7

  • Applications

    This compound (Methanol, 1,1-diethoxy-, 1-acetate) is commonly used as an aldehyde-protecting acetal in multi-step organic syntheses, as a reactive intermediate for preparing acetyl/ether-functionalized derivatives, as a solvent or co-solvent in coatings, inks, and adhesive formulations, as a precursor for specialty chemicals and polymer-related intermediates, and may be used as a process solvent in manufacturing steps, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 733.6
    methanol 1193.6
    isopropanol 649.58
    water 14.71
    ethyl acetate 459.45
    n-propanol 544.79
    acetone 896.15
    n-butanol 434.38
    acetonitrile 688.03
    DMF 1640.23
    toluene 293.5
    isobutanol 395.24
    1,4-dioxane 961.96
    methyl acetate 556.39
    THF 1246.06
    2-butanone 511.04
    n-pentanol 306.15
    sec-butanol 534.05
    n-hexane 96.76
    ethylene glycol 272.64
    NMP 1669.36
    cyclohexane 248.33
    DMSO 1337.91
    n-butyl acetate 215.5
    n-octanol 229.87
    chloroform 2350.12
    n-propyl acetate 271.59
    acetic acid 1510.22
    dichloromethane 2096.76
    cyclohexanone 907.73
    propylene glycol 366.43
    isopropyl acetate 266.5
    DMAc 1474.18
    2-ethoxyethanol 415.74
    isopentanol 274.06
    n-heptane 50.85
    ethyl formate 476.45
    1,2-dichloroethane 917.47
    n-hexanol 245.73
    2-methoxyethanol 884.18
    isobutyl acetate 165.15
    tetrachloromethane 262.22
    n-pentyl acetate 212.98
    transcutol 540.6
    n-heptanol 139.49
    ethylbenzene 206.42
    MIBK 197.22
    2-propoxyethanol 379.13
    tert-butanol 632.47
    MTBE 325.58
    2-butoxyethanol 209.11
    propionic acid 762.73
    o-xylene 244.13
    formic acid 492.87
    diethyl ether 327.62
    m-xylene 184.43
    p-xylene 310.54
    chlorobenzene 529.37
    dimethyl carbonate 272.11
    n-octane 32.89
    formamide 521.13
    cyclopentanone 1058.74
    2-pentanone 358.92
    anisole 338.44
    cyclopentyl methyl ether 437.76
    gamma-butyrolactone 1395.33
    1-methoxy-2-propanol 604.24
    pyridine 970.67
    3-pentanone 314.0
    furfural 1208.83
    n-dodecane 36.18
    diethylene glycol 310.95
    diisopropyl ether 95.1
    tert-amyl alcohol 517.0
    acetylacetone 502.09
    n-hexadecane 39.9
    acetophenone 389.79
    methyl propionate 467.27
    isopentyl acetate 184.68
    trichloroethylene 1799.98
    n-nonanol 198.56
    cyclohexanol 584.15
    benzyl alcohol 351.26
    2-ethylhexanol 153.58
    isooctanol 109.38
    dipropyl ether 168.02
    1,2-dichlorobenzene 490.58
    ethyl lactate 237.05
    propylene carbonate 774.79
    n-methylformamide 792.1
    2-pentanol 278.55
    n-pentane 89.76
    1-propoxy-2-propanol 264.23
    1-methoxy-2-propyl acetate 245.55
    2-(2-methoxypropoxy) propanol 271.87
    mesitylene 118.36
    ε-caprolactone 780.26
    p-cymene 109.38
    epichlorohydrin 1091.74
    1,1,1-trichloroethane 870.49
    2-aminoethanol 396.61
    morpholine-4-carbaldehyde 1034.64
    sulfolane 1589.09
    2,2,4-trimethylpentane 46.05
    2-methyltetrahydrofuran 711.7
    n-hexyl acetate 364.98
    isooctane 23.48
    2-(2-butoxyethoxy)ethanol 307.16
    sec-butyl acetate 176.24
    tert-butyl acetate 247.67
    decalin 85.04
    glycerin 446.3
    diglyme 512.99
    acrylic acid 762.59
    isopropyl myristate 153.86
    n-butyric acid 705.84
    acetyl acetate 384.63
    di(2-ethylhexyl) phthalate 177.9
    ethyl propionate 300.23
    nitromethane 1538.22
    1,2-diethoxyethane 215.03
    benzonitrile 489.82
    trioctyl phosphate 129.4
    1-bromopropane 533.93
    gamma-valerolactone 1212.81
    n-decanol 149.82
    triethyl phosphate 169.83
    4-methyl-2-pentanol 132.94
    propionitrile 488.06
    vinylene carbonate 816.11
    1,1,2-trichlorotrifluoroethane 944.36
    DMS 321.01
    cumene 143.09
    2-octanol 136.96
    2-hexanone 253.62
    octyl acetate 212.45
    limonene 164.0
    1,2-dimethoxyethane 770.76
    ethyl orthosilicate 144.62
    tributyl phosphate 152.56
    diacetone alcohol 322.24
    N,N-dimethylaniline 289.59
    acrylonitrile 693.93
    aniline 402.67
    1,3-propanediol 470.88
    bromobenzene 571.42
    dibromomethane 1287.16
    1,1,2,2-tetrachloroethane 1529.16
    2-methyl-cyclohexyl acetate 213.83
    tetrabutyl urea 218.9
    diisobutyl methanol 86.45
    2-phenylethanol 236.18
    styrene 265.13
    dioctyl adipate 256.11
    dimethyl sulfate 499.55
    ethyl butyrate 225.51
    methyl lactate 344.42
    butyl lactate 198.47
    diethyl carbonate 212.41
    propanediol butyl ether 274.93
    triethyl orthoformate 179.03
    p-tert-butyltoluene 104.74
    methyl 4-tert-butylbenzoate 320.63
    morpholine 1003.68
    tert-butylamine 382.78
    n-dodecanol 117.82
    dimethoxymethane 657.08
    ethylene carbonate 610.41
    cyrene 352.3
    2-ethoxyethyl acetate 237.51
    2-ethylhexyl acetate 159.27
    1,2,4-trichlorobenzene 573.4
    4-methylpyridine 866.27
    dibutyl ether 202.18
    2,6-dimethyl-4-heptanol 86.45
    DEF 595.79
    dimethyl isosorbide 426.36
    tetrachloroethylene 903.43
    eugenol 287.77
    triacetin 395.36
    span 80 313.65
    1,4-butanediol 211.32
    1,1-dichloroethane 972.22
    2-methyl-1-pentanol 235.23
    methyl formate 704.06
    2-methyl-1-butanol 312.71
    n-decane 54.44
    butyronitrile 452.1
    3,7-dimethyl-1-octanol 179.31
    1-chlorooctane 167.83
    1-chlorotetradecane 79.64
    n-nonane 53.99
    undecane 42.36
    tert-butylcyclohexane 64.79
    cyclooctane 57.67
    cyclopentanol 742.28
    tetrahydropyran 821.02
    tert-amyl methyl ether 276.56
    2,5,8-trioxanonane 426.42
    1-hexene 239.11
    2-isopropoxyethanol 264.48
    2,2,2-trifluoroethanol 449.92
    methyl butyrate 416.3

    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