1,1,3-Triethoxybutane

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  • Identifiers

    CAS number
    5870-82-6

    Molecular formula
    C10H22O3

    SMILES
    CCOC(C)CC(OCC)OCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 85.38%
    Ethereal 73.53%
    Green 66.48%
    Alcoholic 54.86%
    Cognac 45.56%
    Fermented 40.55%
    Pungent 38.64%
    Apple 34.96%
    Nutty 34.12%
    Winey 32.45%

     

    Flavor
    Green 58.25%
    Fruity 53.79%
    Vegetable 47.3%
    Sweet 44.59%
    Earthy 42.03%
    Fatty 40.72%
    Fruit 36.2%
    Ether 31.4%
    Tropical 29.72%
    Ethereal 27.21%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    7.24 (neutral)

    Molecular weight
    190.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    190°C

    Flash point

    • 57.7 ˚C est.

  • Synonyms

    • 1,1,3-Triethoxybutane
    • 5870-82-6
    • BUTANE, 1,1,3-TRIETHOXY-
    • Butyraldehyde, 3-ethoxy-, diethyl acetal
    • NSC 406853
    • UNII-25252SEX1K
    • BRN 1744486
    • AI3-08646
    • 25252SEX1K
    • NSC-406853
    • J42.087E
    • 4-01-00-03986 (Beilstein Handbook Reference)
    • RefChem:70954
    • Butyraldehyde, 3-ethoxy-, diethyl acetal (8CI)
    • MDIBXLWYZGZAKL-UHFFFAOYSA-N
    • NSC406853
    • 1,3-Triethoxybutane
    • Butane,1,3-triethoxy-
    • 1,1,3-triethoxy-butane
    • SCHEMBL901987
    • WLN: 2OYO2&1Y1&O2
    • DTXSID801031969
    • AKOS024336554
    • DB-326076
    • Q27253899
    • 5870-82-6

  • Applications

    1,1,3-Triethoxybutane (CAS 5870-82-6) is used as an organic intermediate and solvent in industrial manufacturing; it serves as a building block for polymer and resin syntheses; in coatings and inks it can function as a solvent and processing aid in formulation; in adhesives it may be included as a solvent component to adjust formulation properties; and in cleaning formulations it can act as a specialty solvent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2676.81
    methanol 3125.15
    isopropanol 2307.64
    water 14.18
    ethyl acetate 2196.1
    n-propanol 2394.58
    acetone 2219.48
    n-butanol 2058.56
    acetonitrile 1879.82
    DMF 2021.09
    toluene 1431.82
    isobutanol 1854.12
    1,4-dioxane 3422.37
    methyl acetate 1893.97
    THF 4052.46
    2-butanone 1698.8
    n-pentanol 1239.42
    sec-butanol 2412.66
    n-hexane 1032.29
    ethylene glycol 672.1
    NMP 2948.42
    cyclohexane 2654.05
    DMSO 2326.98
    n-butyl acetate 1341.91
    n-octanol 825.38
    chloroform 9122.79
    n-propyl acetate 1157.61
    acetic acid 3936.55
    dichloromethane 6851.29
    cyclohexanone 4011.13
    propylene glycol 873.17
    isopropyl acetate 1299.97
    DMAc 2260.43
    2-ethoxyethanol 1270.27
    isopentanol 1502.97
    n-heptane 752.03
    ethyl formate 1331.05
    1,2-dichloroethane 3238.19
    n-hexanol 1496.42
    2-methoxyethanol 2252.8
    isobutyl acetate 747.42
    tetrachloromethane 2051.43
    n-pentyl acetate 1079.28
    transcutol 2386.32
    n-heptanol 621.06
    ethylbenzene 722.32
    MIBK 800.03
    2-propoxyethanol 1510.37
    tert-butanol 2530.91
    MTBE 2042.7
    2-butoxyethanol 785.1
    propionic acid 2388.14
    o-xylene 948.73
    formic acid 1100.64
    diethyl ether 2245.46
    m-xylene 845.51
    p-xylene 1065.96
    chlorobenzene 1899.57
    dimethyl carbonate 538.96
    n-octane 235.62
    formamide 950.31
    cyclopentanone 2944.2
    2-pentanone 1484.82
    anisole 854.11
    cyclopentyl methyl ether 2637.25
    gamma-butyrolactone 3300.39
    1-methoxy-2-propanol 1654.1
    pyridine 3030.5
    3-pentanone 1397.68
    furfural 2511.64
    n-dodecane 152.29
    diethylene glycol 1003.44
    diisopropyl ether 707.89
    tert-amyl alcohol 2422.51
    acetylacetone 1399.77
    n-hexadecane 173.38
    acetophenone 873.44
    methyl propionate 1473.69
    isopentyl acetate 1127.44
    trichloroethylene 5558.55
    n-nonanol 700.57
    cyclohexanol 3673.07
    benzyl alcohol 892.78
    2-ethylhexanol 1006.22
    isooctanol 521.75
    dipropyl ether 1240.79
    1,2-dichlorobenzene 1616.14
    ethyl lactate 547.01
    propylene carbonate 1943.56
    n-methylformamide 1310.27
    2-pentanol 1526.66
    n-pentane 924.48
    1-propoxy-2-propanol 1186.18
    1-methoxy-2-propyl acetate 1030.55
    2-(2-methoxypropoxy) propanol 695.0
    mesitylene 549.79
    ε-caprolactone 3201.86
    p-cymene 488.29
    epichlorohydrin 2905.15
    1,1,1-trichloroethane 4055.43
    2-aminoethanol 1141.34
    morpholine-4-carbaldehyde 2329.55
    sulfolane 3311.76
    2,2,4-trimethylpentane 393.6
    2-methyltetrahydrofuran 3845.92
    n-hexyl acetate 1552.44
    isooctane 195.29
    2-(2-butoxyethoxy)ethanol 909.56
    sec-butyl acetate 856.5
    tert-butyl acetate 1115.31
    decalin 645.93
    glycerin 1014.59
    diglyme 1666.23
    acrylic acid 1759.77
    isopropyl myristate 570.14
    n-butyric acid 2917.44
    acetyl acetate 1590.74
    di(2-ethylhexyl) phthalate 466.21
    ethyl propionate 1114.02
    nitromethane 3215.35
    1,2-diethoxyethane 1271.11
    benzonitrile 1313.68
    trioctyl phosphate 372.11
    1-bromopropane 2688.16
    gamma-valerolactone 3196.59
    n-decanol 472.37
    triethyl phosphate 569.51
    4-methyl-2-pentanol 678.45
    propionitrile 1617.96
    vinylene carbonate 1869.74
    1,1,2-trichlorotrifluoroethane 2714.22
    DMS 961.01
    cumene 489.27
    2-octanol 559.48
    2-hexanone 1040.82
    octyl acetate 712.86
    limonene 982.46
    1,2-dimethoxyethane 2025.02
    ethyl orthosilicate 559.58
    tributyl phosphate 496.0
    diacetone alcohol 1009.83
    N,N-dimethylaniline 663.72
    acrylonitrile 1614.79
    aniline 1452.86
    1,3-propanediol 1476.46
    bromobenzene 2243.55
    dibromomethane 5118.42
    1,1,2,2-tetrachloroethane 5397.1
    2-methyl-cyclohexyl acetate 892.4
    tetrabutyl urea 585.8
    diisobutyl methanol 518.68
    2-phenylethanol 799.39
    styrene 898.63
    dioctyl adipate 797.95
    dimethyl sulfate 899.82
    ethyl butyrate 1100.15
    methyl lactate 736.88
    butyl lactate 706.93
    diethyl carbonate 744.94
    propanediol butyl ether 775.99
    triethyl orthoformate 844.48
    p-tert-butyltoluene 458.17
    methyl 4-tert-butylbenzoate 782.89
    morpholine 3702.22
    tert-butylamine 1923.03
    n-dodecanol 362.58
    dimethoxymethane 1254.86
    ethylene carbonate 1759.77
    cyrene 703.62
    2-ethoxyethyl acetate 1051.98
    2-ethylhexyl acetate 980.66
    1,2,4-trichlorobenzene 1972.71
    4-methylpyridine 2573.27
    dibutyl ether 1174.53
    2,6-dimethyl-4-heptanol 518.68
    DEF 1952.54
    dimethyl isosorbide 1165.43
    tetrachloroethylene 3947.31
    eugenol 626.94
    triacetin 1234.94
    span 80 858.26
    1,4-butanediol 634.94
    1,1-dichloroethane 3954.92
    2-methyl-1-pentanol 1090.56
    methyl formate 1039.59
    2-methyl-1-butanol 1707.1
    n-decane 291.93
    butyronitrile 1739.28
    3,7-dimethyl-1-octanol 756.22
    1-chlorooctane 775.41
    1-chlorotetradecane 297.3
    n-nonane 321.66
    undecane 193.98
    tert-butylcyclohexane 495.51
    cyclooctane 661.76
    cyclopentanol 3077.72
    tetrahydropyran 4702.72
    tert-amyl methyl ether 1617.43
    2,5,8-trioxanonane 1097.03
    1-hexene 1620.26
    2-isopropoxyethanol 905.15
    2,2,2-trifluoroethanol 1217.87
    methyl butyrate 1486.15

    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