2,2-Diethoxypropane

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  • Identifiers

    CAS number
    126-84-1

    Molecular formula
    C7H16O2

    SMILES
    CCOC(C)(C)OCC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Ethereal 81.88%
    Fruity 73.46%
    Green 60.58%
    Alcoholic 52.42%
    Fresh 48.42%
    Fermented 41.54%
    Cognac 36.57%
    Solvent 33.62%
    Pungent 33.3%
    Brandy 31.39%

     

    Flavor
    Sweet 68.78%
    Green 67.11%
    Earthy 45.25%
    Ether 44.29%
    Fruit 42.56%
    Vegetable 37.43%
    Fruity 35.46%
    Ethereal 34.22%
    Alcohol 33.29%
    Pungent 24.95%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    8.55 (weak base)

    Molecular weight
    132.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    119°C

    Flash point

    • 2.17 ˚C est.

  • Synonyms

    • 2,2-DIETHOXYPROPANE
    • 126-84-1
    • Acetone diethyl acetal
    • Propane, 2,2-diethoxy-
    • Acetone diethyl ketal
    • Acetone, diethyl acetal
    • USAF DO-44
    • 2,2-diethoxy-propane
    • EINECS 204-808-6
    • UNII-18I1QHH2K2
    • acetone diethylacetal
    • NSC 528014
    • BRN 0741878
    • 18I1QHH2K2
    • NSC-528014
    • DTXSID2059568
    • FGQLGYBGTRHODR-UHFFFAOYSA-
    • 4-01-00-03200 (Beilstein Handbook Reference)
    • MFCD00009224
    • DIETHOXYPROPANE
    • Propane,2-diethoxy-
    • 2,2-Diethoxypropane, 97%
    • SCHEMBL590700
    • DTXCID6033879
    • NSC528014
    • AKOS015903661
    • WLN: 2OX1 & 1 & O2
    • DB-041843
    • D0459
    • NS00024043
    • D89659
    • Q27252003
    • 204-808-6

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1136.83
    methanol 1574.67
    isopropanol 1036.22
    water 25.41
    ethyl acetate 844.11
    n-propanol 1074.41
    acetone 746.92
    n-butanol 1015.15
    acetonitrile 847.16
    DMF 995.93
    toluene 758.07
    isobutanol 863.73
    1,4-dioxane 1471.61
    methyl acetate 801.64
    THF 1765.65
    2-butanone 779.14
    n-pentanol 617.91
    sec-butanol 1141.27
    n-hexane 911.78
    ethylene glycol 321.37
    NMP 1470.8
    cyclohexane 1320.18
    DMSO 752.89
    n-butyl acetate 552.24
    n-octanol 593.2
    chloroform 3245.58
    n-propyl acetate 479.51
    acetic acid 1070.58
    dichloromethane 2637.92
    cyclohexanone 1384.77
    propylene glycol 429.03
    isopropyl acetate 496.69
    DMAc 1132.65
    2-ethoxyethanol 637.78
    isopentanol 710.67
    n-heptane 630.86
    ethyl formate 541.37
    1,2-dichloroethane 1191.07
    n-hexanol 873.97
    2-methoxyethanol 1080.65
    isobutyl acetate 304.42
    tetrachloromethane 989.09
    n-pentyl acetate 516.32
    transcutol 1002.91
    n-heptanol 421.51
    ethylbenzene 481.4
    MIBK 350.56
    2-propoxyethanol 852.24
    tert-butanol 1090.02
    MTBE 980.88
    2-butoxyethanol 447.33
    propionic acid 922.11
    o-xylene 570.48
    formic acid 426.24
    diethyl ether 1211.36
    m-xylene 452.23
    p-xylene 640.58
    chlorobenzene 743.82
    dimethyl carbonate 254.1
    n-octane 236.87
    formamide 396.22
    cyclopentanone 1175.9
    2-pentanone 641.19
    anisole 518.24
    cyclopentyl methyl ether 1194.57
    gamma-butyrolactone 1330.95
    1-methoxy-2-propanol 814.25
    pyridine 1012.88
    3-pentanone 682.92
    furfural 981.44
    n-dodecane 155.75
    diethylene glycol 509.21
    diisopropyl ether 375.83
    tert-amyl alcohol 1229.53
    acetylacetone 556.61
    n-hexadecane 164.46
    acetophenone 445.28
    methyl propionate 695.79
    isopentyl acetate 459.64
    trichloroethylene 1759.44
    n-nonanol 517.08
    cyclohexanol 1412.73
    benzyl alcohol 422.36
    2-ethylhexanol 609.71
    isooctanol 329.55
    dipropyl ether 750.25
    1,2-dichlorobenzene 708.79
    ethyl lactate 252.2
    propylene carbonate 729.35
    n-methylformamide 618.96
    2-pentanol 802.39
    n-pentane 738.62
    1-propoxy-2-propanol 656.84
    1-methoxy-2-propyl acetate 480.62
    2-(2-methoxypropoxy) propanol 413.21
    mesitylene 304.91
    ε-caprolactone 1213.12
    p-cymene 319.66
    epichlorohydrin 1174.94
    1,1,1-trichloroethane 1516.71
    2-aminoethanol 587.07
    morpholine-4-carbaldehyde 1159.08
    sulfolane 1340.96
    2,2,4-trimethylpentane 300.18
    2-methyltetrahydrofuran 1715.91
    n-hexyl acetate 818.69
    isooctane 140.76
    2-(2-butoxyethoxy)ethanol 484.04
    sec-butyl acetate 361.48
    tert-butyl acetate 482.4
    decalin 413.12
    glycerin 486.85
    diglyme 834.11
    acrylic acid 670.33
    isopropyl myristate 339.08
    n-butyric acid 948.27
    acetyl acetate 581.17
    di(2-ethylhexyl) phthalate 257.84
    ethyl propionate 559.1
    nitromethane 1030.41
    1,2-diethoxyethane 552.44
    benzonitrile 521.19
    trioctyl phosphate 207.15
    1-bromopropane 1328.75
    gamma-valerolactone 1272.06
    n-decanol 364.97
    triethyl phosphate 285.4
    4-methyl-2-pentanol 350.7
    propionitrile 823.11
    vinylene carbonate 715.77
    1,1,2-trichlorotrifluoroethane 974.51
    DMS 473.9
    cumene 342.76
    2-octanol 416.53
    2-hexanone 489.06
    octyl acetate 420.71
    limonene 573.11
    1,2-dimethoxyethane 1110.53
    ethyl orthosilicate 298.25
    tributyl phosphate 254.71
    diacetone alcohol 439.25
    N,N-dimethylaniline 438.91
    acrylonitrile 777.53
    aniline 640.54
    1,3-propanediol 645.53
    bromobenzene 812.4
    dibromomethane 2080.91
    1,1,2,2-tetrachloroethane 1779.35
    2-methyl-cyclohexyl acetate 457.28
    tetrabutyl urea 332.97
    diisobutyl methanol 295.83
    2-phenylethanol 436.44
    styrene 507.87
    dioctyl adipate 416.25
    dimethyl sulfate 374.68
    ethyl butyrate 477.13
    methyl lactate 347.49
    butyl lactate 328.85
    diethyl carbonate 338.55
    propanediol butyl ether 397.84
    triethyl orthoformate 409.11
    p-tert-butyltoluene 311.46
    methyl 4-tert-butylbenzoate 459.77
    morpholine 1540.57
    tert-butylamine 986.24
    n-dodecanol 284.15
    dimethoxymethane 666.66
    ethylene carbonate 633.2
    cyrene 353.29
    2-ethoxyethyl acetate 483.2
    2-ethylhexyl acetate 441.72
    1,2,4-trichlorobenzene 856.02
    4-methylpyridine 1050.17
    dibutyl ether 685.18
    2,6-dimethyl-4-heptanol 295.83
    DEF 824.93
    dimethyl isosorbide 669.53
    tetrachloroethylene 1336.05
    eugenol 355.46
    triacetin 620.85
    span 80 457.17
    1,4-butanediol 306.79
    1,1-dichloroethane 1437.4
    2-methyl-1-pentanol 525.57
    methyl formate 465.53
    2-methyl-1-butanol 843.21
    n-decane 277.04
    butyronitrile 788.79
    3,7-dimethyl-1-octanol 493.15
    1-chlorooctane 586.96
    1-chlorotetradecane 233.21
    n-nonane 323.85
    undecane 191.42
    tert-butylcyclohexane 371.96
    cyclooctane 454.99
    cyclopentanol 1297.19
    tetrahydropyran 1822.4
    tert-amyl methyl ether 927.05
    2,5,8-trioxanonane 598.6
    1-hexene 1085.38
    2-isopropoxyethanol 466.02
    2,2,2-trifluoroethanol 406.17
    methyl butyrate 626.25

    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