3,3-Diethoxy-1-propanol

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  • Identifiers

    CAS number
    16777-87-0

    Molecular formula
    C7H16O3

    SMILES
    CCOC(CCO)OCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 70.93%
    Ethereal 60.04%
    Alcoholic 52.58%
    Pungent 32.09%
    Fermented 30.95%
    Sweet 30.33%
    Odorless 28.62%
    Fresh 26.82%
    Sharp 25.96%
    Winey 25.41%

     

    Flavor
    Sweet 58.91%
    Green 49.04%
    Vegetable 44.85%
    Fruit 40.16%
    Alcoholic 39.43%
    Earthy 38.56%
    Fruity 35.21%
    Ether 34.42%
    Fatty 33.89%
    Bitter 32.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    8.28 (weak base)

    Molecular weight
    148.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    200°C

    Flash point

    • 73.32 ˚C est.

  • Synonyms

    • 3,3-Diethoxy-1-propanol
    • 16777-87-0
    • 3,3-diethoxypropanol
    • DTXSID30168369
    • RefChem:90783
    • DTXCID7090860
    • 695-818-3
    • ASERXEZXVIJBRO-UHFFFAOYSA-N
    • 3,3-diethoxypropan-1-ol
    • 1-Propanol, 3,3-diethoxy-
    • MFCD00074850
    • 3,3-Diethoxypropan-1-ol; 3,3-Diethoxypropanol;3-Hydroxypropanal Diethyl Acetal; 3-Hydroxypropionaldehyde DIethyl Acetal
    • 3, 3-diethoxypropanol
    • SCHEMBL440376
    • orb3021410
    • SCHEMBL3384164
    • 3 pound not3-Diethoxy-1-propanol
    • 3,3-Diethoxy-1-propanol, 98%
    • AKOS005145575
    • AS-31465
    • SY029207
    • DB-064659
    • CS-0046319
    • F237775
    • 16777-87-0

  • Applications

    3,3-Diethoxy-1-propanol (CAS 16777-87-0) is used as a solvent and co-solvent for coatings, inks, and adhesives in industrial manufacturing; it serves as a reactive intermediate in organic synthesis and polymer formulation; it can act as a plasticizer or processing aid in polymers and coatings; it is employed as a processing solvent in cosmetics and personal care formulations; it can function as a carbonyl protecting group or protected aldehyde equivalent in multistep syntheses; and it finds use as a cleaning solvent in industrial cleaning formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1278.79
    methanol 2090.47
    isopropanol 969.85
    water 25.78
    ethyl acetate 459.57
    n-propanol 991.41
    acetone 815.86
    n-butanol 767.3
    acetonitrile 875.2
    DMF 1313.81
    toluene 205.15
    isobutanol 706.88
    1,4-dioxane 1082.13
    methyl acetate 551.28
    THF 1363.22
    2-butanone 508.44
    n-pentanol 454.44
    sec-butanol 790.63
    n-hexane 135.86
    ethylene glycol 638.1
    NMP 1345.08
    cyclohexane 330.33
    DMSO 1720.51
    n-butyl acetate 326.87
    n-octanol 282.03
    chloroform 2290.98
    n-propyl acetate 304.37
    acetic acid 1880.2
    dichloromethane 2401.34
    cyclohexanone 1068.47
    propylene glycol 645.87
    isopropyl acetate 245.66
    DMAc 1037.78
    2-ethoxyethanol 638.99
    isopentanol 466.37
    n-heptane 141.55
    ethyl formate 516.34
    1,2-dichloroethane 1021.31
    n-hexanol 449.51
    2-methoxyethanol 1235.75
    isobutyl acetate 199.84
    tetrachloromethane 438.56
    n-pentyl acetate 264.04
    transcutol 852.69
    n-heptanol 221.63
    ethylbenzene 136.8
    MIBK 198.92
    2-propoxyethanol 601.04
    tert-butanol 967.86
    MTBE 427.71
    2-butoxyethanol 329.49
    propionic acid 1069.26
    o-xylene 175.09
    formic acid 726.17
    diethyl ether 484.96
    m-xylene 135.73
    p-xylene 210.37
    chlorobenzene 456.91
    dimethyl carbonate 203.32
    n-octane 47.22
    formamide 656.63
    cyclopentanone 1071.49
    2-pentanone 379.36
    anisole 280.14
    cyclopentyl methyl ether 568.25
    gamma-butyrolactone 1338.08
    1-methoxy-2-propanol 742.0
    pyridine 865.47
    3-pentanone 344.69
    furfural 1129.68
    n-dodecane 41.73
    diethylene glycol 563.85
    diisopropyl ether 123.57
    tert-amyl alcohol 728.4
    acetylacetone 399.48
    n-hexadecane 45.94
    acetophenone 302.91
    methyl propionate 439.25
    isopentyl acetate 247.6
    trichloroethylene 1650.67
    n-nonanol 233.9
    cyclohexanol 876.7
    benzyl alcohol 336.78
    2-ethylhexanol 271.06
    isooctanol 176.54
    dipropyl ether 324.99
    1,2-dichlorobenzene 447.42
    ethyl lactate 250.54
    propylene carbonate 728.59
    n-methylformamide 829.22
    2-pentanol 444.76
    n-pentane 158.89
    1-propoxy-2-propanol 433.8
    1-methoxy-2-propyl acetate 279.56
    2-(2-methoxypropoxy) propanol 301.29
    mesitylene 97.05
    ε-caprolactone 863.26
    p-cymene 131.29
    epichlorohydrin 1131.97
    1,1,1-trichloroethane 908.09
    2-aminoethanol 863.54
    morpholine-4-carbaldehyde 1071.64
    sulfolane 1633.24
    2,2,4-trimethylpentane 73.79
    2-methyltetrahydrofuran 923.94
    n-hexyl acetate 388.63
    isooctane 38.47
    2-(2-butoxyethoxy)ethanol 378.21
    sec-butyl acetate 187.18
    tert-butyl acetate 243.04
    decalin 96.4
    glycerin 832.47
    diglyme 702.03
    acrylic acid 957.76
    isopropyl myristate 164.77
    n-butyric acid 959.41
    acetyl acetate 330.0
    di(2-ethylhexyl) phthalate 179.04
    ethyl propionate 293.21
    nitromethane 1560.61
    1,2-diethoxyethane 299.05
    benzonitrile 484.23
    trioctyl phosphate 146.34
    1-bromopropane 655.7
    gamma-valerolactone 1171.27
    n-decanol 167.43
    triethyl phosphate 189.8
    4-methyl-2-pentanol 195.55
    propionitrile 687.78
    vinylene carbonate 752.82
    1,1,2-trichlorotrifluoroethane 1122.48
    DMS 275.33
    cumene 112.71
    2-octanol 176.73
    2-hexanone 284.14
    octyl acetate 211.57
    limonene 236.6
    1,2-dimethoxyethane 894.39
    ethyl orthosilicate 175.42
    tributyl phosphate 172.85
    diacetone alcohol 331.86
    N,N-dimethylaniline 221.47
    acrylonitrile 815.34
    aniline 396.78
    1,3-propanediol 879.13
    bromobenzene 450.08
    dibromomethane 1532.54
    1,1,2,2-tetrachloroethane 1491.11
    2-methyl-cyclohexyl acetate 257.26
    tetrabutyl urea 222.27
    diisobutyl methanol 150.13
    2-phenylethanol 265.53
    styrene 192.69
    dioctyl adipate 274.47
    dimethyl sulfate 388.1
    ethyl butyrate 307.0
    methyl lactate 377.44
    butyl lactate 250.49
    diethyl carbonate 246.91
    propanediol butyl ether 357.75
    triethyl orthoformate 243.08
    p-tert-butyltoluene 120.46
    methyl 4-tert-butylbenzoate 300.3
    morpholine 1242.51
    tert-butylamine 663.31
    n-dodecanol 130.58
    dimethoxymethane 559.14
    ethylene carbonate 610.32
    cyrene 358.63
    2-ethoxyethyl acetate 277.24
    2-ethylhexyl acetate 208.54
    1,2,4-trichlorobenzene 526.08
    4-methylpyridine 719.46
    dibutyl ether 264.88
    2,6-dimethyl-4-heptanol 150.13
    DEF 630.38
    dimethyl isosorbide 476.73
    tetrachloroethylene 1084.26
    eugenol 281.08
    triacetin 405.13
    span 80 349.63
    1,4-butanediol 418.57
    1,1-dichloroethane 1026.91
    2-methyl-1-pentanol 345.43
    methyl formate 615.64
    2-methyl-1-butanol 536.77
    n-decane 66.59
    butyronitrile 665.98
    3,7-dimethyl-1-octanol 239.21
    1-chlorooctane 198.52
    1-chlorotetradecane 89.0
    n-nonane 69.41
    undecane 49.31
    tert-butylcyclohexane 83.19
    cyclooctane 80.93
    cyclopentanol 1079.4
    tetrahydropyran 1052.5
    tert-amyl methyl ether 334.14
    2,5,8-trioxanonane 506.74
    1-hexene 303.2
    2-isopropoxyethanol 383.16
    2,2,2-trifluoroethanol 552.11
    methyl butyrate 434.98

    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