2,2-Dimethoxypropane

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  • Identifiers

    CAS number
    77-76-9

    Molecular formula
    C5H12O2

    SMILES
    CC(C)(OC)OC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Ethereal 87.69%
    Fresh 58.86%
    Alcoholic 50.04%
    Solvent 43.48%
    Fermented 37.56%
    Fruity 37.55%
    Camphoreous 34.69%
    Rummy 32.71%
    Green 32.66%
    Gassy 30.46%

     

    Flavor
    Green 72.71%
    Sweet 67.78%
    Ether 48.63%
    Earthy 44.43%
    Fruity 36.26%
    Ethereal 35.58%
    Fruit 35.4%
    Alcohol 34.7%
    Vegetable 33.49%
    Sharp 30.57%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    7.83 (neutral)

    Molecular weight
    104.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    81°C

    Flash point

    • -10.77 ˚C est.

  • Synonyms

    • 2,2-DIMETHOXYPROPANE
    • 77-76-9
    • Acetone dimethyl acetal
    • Propane, 2,2-dimethoxy-
    • Acetone dimethyl ketal
    • Acetone, dimethyl acetal
    • EINECS 201-056-0
    • NSC 62085
    • acetone dimethylacetal
    • DTXSID7026441
    • AI3-26275
    • 2,2-dimethoxy-propane
    • UNII-66P41R0030
    • NSC-62085
    • DTXCID006441
    • 66P41R0030
    • EC 201-056-0
    • Acetone-dimethyl acetal
    • 2,2-Dimethyoxypropane
    • dimethoxypropan
    • dimethoxy propane
    • 2,2-Bis(methyloxy)propane; 2,2-Dimethoxypropane; Acetone Dimethyl Ketal; NSC 62085
    • 2,2dimethoxypropane
    • acetone dimethylketal
    • MFCD00008479
    • 2,2-dimethoxypropan
    • 2,2-dimetoxypropane
    • 2,2 dimethoxypropane
    • 2.2-dimethoxypropane
    • Propane,2-dimethoxy-
    • 2, 2-dimethoxypropan
    • 2,2 dimethoxy propane
    • 2,2,-dimethoxypropane
    • 2,2-di-methoxypropane
    • 2,2-dimethoxy propane
    • 2,2-dimethyloxypropane
    • 2, 2-Dimethoxypropane
    • Propane, 2,2dimethoxy
    • 2,2-dimethoxyl propane
    • 2,2-bis(methyloxy)propane
    • SCHEMBL49039
    • CHEMBL3184215
    • Acetone, dimethyl acetal (8CI)
    • dimethylformaldehyde dimethylacetal
    • NSC62085
    • STR01454
    • Tox21_200627
    • AKOS000121900
    • CAS-77-76-9
    • NCGC00248770-01
    • NCGC00258181-01
    • 2,2-Dimethoxypropane, analytical standard
    • BP-20658
    • 2,2-Dimethoxypropane, reagent grade, 98%
    • 2,2-Dimethoxypropane, for GC derivatization
    • A0057
    • NS00005196
    • EN300-29553
    • 2,2-Dimethoxypropane, purum, >=96.0% (GC)
    • Q4596749
    • F0001-1976
    • 201-056-0

  • Applications

    2,2-Dimethoxypropane (CAS 77-76-9) is primarily used as a versatile solvent in organic synthesis and process chemistry, particularly for anhydrous reactions. It also functions as a carbonyl-protecting reagent (acetal) for aldehydes and ketones, enabling selective multistep syntheses. As a chemical intermediate, it is employed in the production of fine chemicals, including pharmaceuticals and fragrance-related compounds, and it can be used to generate acetals from carbonyl groups. In carbohydrate chemistry, it serves for selective acetalization and carbonyl protection, and it can act as a laboratory reagent for acetalization reactions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1302.93
    methanol 1824.0
    isopropanol 1078.5
    water 155.21
    ethyl acetate 614.12
    n-propanol 923.12
    acetone 760.99
    n-butanol 746.2
    acetonitrile 904.04
    DMF 1026.37
    toluene 308.35
    isobutanol 630.77
    1,4-dioxane 1078.68
    methyl acetate 693.71
    THF 1112.65
    2-butanone 689.49
    n-pentanol 377.66
    sec-butanol 917.13
    n-hexane 223.0
    ethylene glycol 364.53
    NMP 1012.95
    cyclohexane 295.17
    DMSO 694.98
    n-butyl acetate 158.56
    n-octanol 183.13
    chloroform 2171.19
    n-propyl acetate 219.38
    acetic acid 1062.94
    dichloromethane 1794.62
    cyclohexanone 622.4
    propylene glycol 421.09
    isopropyl acetate 301.1
    DMAc 1101.82
    2-ethoxyethanol 644.16
    isopentanol 450.6
    n-heptane 109.92
    ethyl formate 396.73
    1,2-dichloroethane 762.73
    n-hexanol 279.26
    2-methoxyethanol 1244.06
    isobutyl acetate 124.92
    tetrachloromethane 731.95
    n-pentyl acetate 154.64
    transcutol 670.21
    n-heptanol 160.44
    ethylbenzene 157.52
    MIBK 177.93
    2-propoxyethanol 465.78
    tert-butanol 1069.99
    MTBE 767.4
    2-butoxyethanol 259.68
    propionic acid 743.28
    o-xylene 250.13
    formic acid 726.89
    diethyl ether 952.82
    m-xylene 168.83
    p-xylene 229.5
    chlorobenzene 343.66
    dimethyl carbonate 163.13
    n-octane 48.97
    formamide 856.85
    cyclopentanone 671.61
    2-pentanone 428.1
    anisole 293.24
    cyclopentyl methyl ether 542.92
    gamma-butyrolactone 759.12
    1-methoxy-2-propanol 762.9
    pyridine 727.14
    3-pentanone 437.37
    furfural 672.71
    n-dodecane 30.54
    diethylene glycol 352.07
    diisopropyl ether 204.32
    tert-amyl alcohol 974.29
    acetylacetone 327.19
    n-hexadecane 33.08
    acetophenone 235.15
    methyl propionate 482.77
    isopentyl acetate 128.75
    trichloroethylene 1252.39
    n-nonanol 167.53
    cyclohexanol 648.3
    benzyl alcohol 252.04
    2-ethylhexanol 151.95
    isooctanol 126.23
    dipropyl ether 240.31
    1,2-dichlorobenzene 310.02
    ethyl lactate 137.73
    propylene carbonate 336.06
    n-methylformamide 770.41
    2-pentanol 508.03
    n-pentane 257.7
    1-propoxy-2-propanol 287.06
    1-methoxy-2-propyl acetate 189.74
    2-(2-methoxypropoxy) propanol 222.49
    mesitylene 101.4
    ε-caprolactone 541.78
    p-cymene 89.64
    epichlorohydrin 832.25
    1,1,1-trichloroethane 999.23
    2-aminoethanol 672.15
    morpholine-4-carbaldehyde 869.84
    sulfolane 708.88
    2,2,4-trimethylpentane 100.81
    2-methyltetrahydrofuran 1062.68
    n-hexyl acetate 225.31
    isooctane 41.32
    2-(2-butoxyethoxy)ethanol 264.51
    sec-butyl acetate 171.03
    tert-butyl acetate 261.66
    decalin 92.32
    glycerin 517.1
    diglyme 516.84
    acrylic acid 595.31
    isopropyl myristate 92.52
    n-butyric acid 651.99
    acetyl acetate 300.9
    di(2-ethylhexyl) phthalate 78.88
    ethyl propionate 254.07
    nitromethane 1190.12
    1,2-diethoxyethane 273.23
    benzonitrile 253.83
    trioctyl phosphate 57.52
    1-bromopropane 677.38
    gamma-valerolactone 822.85
    n-decanol 112.66
    triethyl phosphate 105.98
    4-methyl-2-pentanol 187.1
    propionitrile 639.33
    vinylene carbonate 320.59
    1,1,2-trichlorotrifluoroethane 751.89
    DMS 157.18
    cumene 112.87
    2-octanol 132.73
    2-hexanone 239.79
    octyl acetate 119.1
    limonene 142.14
    1,2-dimethoxyethane 767.2
    ethyl orthosilicate 114.82
    tributyl phosphate 72.37
    diacetone alcohol 306.3
    N,N-dimethylaniline 236.94
    acrylonitrile 639.39
    aniline 489.62
    1,3-propanediol 721.82
    bromobenzene 318.17
    dibromomethane 1223.48
    1,1,2,2-tetrachloroethane 1157.73
    2-methyl-cyclohexyl acetate 137.15
    tetrabutyl urea 97.68
    diisobutyl methanol 88.43
    2-phenylethanol 175.26
    styrene 190.3
    dioctyl adipate 120.35
    dimethyl sulfate 259.53
    ethyl butyrate 167.87
    methyl lactate 254.34
    butyl lactate 117.42
    diethyl carbonate 117.46
    propanediol butyl ether 196.99
    triethyl orthoformate 147.94
    p-tert-butyltoluene 93.24
    methyl 4-tert-butylbenzoate 199.68
    morpholine 1300.1
    tert-butylamine 823.34
    n-dodecanol 83.36
    dimethoxymethane 557.25
    ethylene carbonate 282.86
    cyrene 212.62
    2-ethoxyethyl acetate 194.93
    2-ethylhexyl acetate 116.51
    1,2,4-trichlorobenzene 404.24
    4-methylpyridine 614.82
    dibutyl ether 201.33
    2,6-dimethyl-4-heptanol 88.43
    DEF 612.92
    dimethyl isosorbide 289.68
    tetrachloroethylene 892.55
    eugenol 178.22
    triacetin 208.0
    span 80 193.69
    1,4-butanediol 249.42
    1,1-dichloroethane 1065.45
    2-methyl-1-pentanol 284.61
    methyl formate 452.68
    2-methyl-1-butanol 544.99
    n-decane 58.85
    butyronitrile 544.36
    3,7-dimethyl-1-octanol 156.11
    1-chlorooctane 151.63
    1-chlorotetradecane 59.14
    n-nonane 61.63
    undecane 39.72
    tert-butylcyclohexane 88.11
    cyclooctane 96.94
    cyclopentanol 715.2
    tetrahydropyran 993.55
    tert-amyl methyl ether 593.18
    2,5,8-trioxanonane 330.78
    1-hexene 337.05
    2-isopropoxyethanol 364.59
    2,2,2-trifluoroethanol 507.84
    methyl butyrate 296.25

    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