3,3-Diethoxy-1-propanol, 3-methylbutyl ether

Overview IFRA Request a quote

  • Identifiers

    Molecular formula
    C12H26O3

    SMILES
    CCOC(CCOCCC(C)C)OCC

  • Odor profile

    Fragrance
    Green 83.97%
    Ethereal 74.33%
    Alcoholic 71.93%
    Fruity 65.22%
    Cognac 60.71%
    Fermented 59.39%
    Malty 43.74%
    Cocoa 40.15%
    Apple 38.75%
    Pungent 30.92%

     

    Flavor
    Fruity 63.84%
    Green 53.59%
    Fatty 36.25%
    Vegetable 36.0%
    Sweet 35.75%
    Earthy 33.42%
    Tropical 31.61%
    Pineapple 30.26%
    Fruit 29.25%
    Ethereal 28.31%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.3 (neutral)

    Molecular weight
    218.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    229°C

    Flash point

    • 82.32 ˚C est.

  • Synonyms

    • IXTYYZWZKKBPFU-UHFFFAOYSA-N
    • AKOS012939988
    • 3,3-Diethoxy-1-propanol, 3-methylbutyl ether

  • Applications

    3,3-Diethoxy-1-propanol, 3-methylbutyl ether is widely used as an industrial solvent and intermediate; in coatings and inks it acts as a co-solvent and reactive intermediate for formulation and processing; in polymers and plastics it serves as a synthetic intermediate or a modifier of resin properties; in adhesives it functions as a processing solvent and processing aid; in cleaning applications it can be used as a solvent component in formulated cleaners.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4227.38
    methanol 3692.17
    isopropanol 4037.9
    water 3.0
    ethyl acetate 3722.27
    n-propanol 3737.67
    acetone 4035.1
    n-butanol 3414.95
    acetonitrile 2546.61
    DMF 2140.47
    toluene 1518.65
    isobutanol 3349.26
    1,4-dioxane 4619.48
    methyl acetate 2718.15
    THF 5534.17
    2-butanone 3052.28
    n-pentanol 2233.7
    sec-butanol 4026.87
    n-hexane 1564.05
    ethylene glycol 541.69
    NMP 2651.2
    cyclohexane 3704.87
    DMSO 3351.92
    n-butyl acetate 2829.32
    n-octanol 1265.86
    chloroform 11544.8
    n-propyl acetate 2311.26
    acetic acid 4494.39
    dichloromethane 8778.03
    cyclohexanone 6069.28
    propylene glycol 944.78
    isopropyl acetate 2408.7
    DMAc 2290.92
    2-ethoxyethanol 2012.07
    isopentanol 2977.13
    n-heptane 1151.09
    ethyl formate 1894.61
    1,2-dichloroethane 4676.11
    n-hexanol 2549.86
    2-methoxyethanol 3021.45
    isobutyl acetate 1494.72
    tetrachloromethane 2677.29
    n-pentyl acetate 1943.99
    transcutol 4667.09
    n-heptanol 1039.55
    ethylbenzene 907.61
    MIBK 1582.18
    2-propoxyethanol 2427.79
    tert-butanol 4810.78
    MTBE 3980.15
    2-butoxyethanol 1395.59
    propionic acid 2967.15
    o-xylene 1097.02
    formic acid 888.68
    diethyl ether 3712.74
    m-xylene 1015.84
    p-xylene 1377.38
    chlorobenzene 2161.22
    dimethyl carbonate 578.18
    n-octane 355.61
    formamide 841.75
    cyclopentanone 3726.64
    2-pentanone 2695.16
    anisole 1138.85
    cyclopentyl methyl ether 3666.44
    gamma-butyrolactone 3701.9
    1-methoxy-2-propanol 2412.08
    pyridine 3222.89
    3-pentanone 2135.66
    furfural 2561.65
    n-dodecane 209.75
    diethylene glycol 1288.04
    diisopropyl ether 1307.92
    tert-amyl alcohol 4163.6
    acetylacetone 2394.48
    n-hexadecane 245.04
    acetophenone 1183.21
    methyl propionate 2071.95
    isopentyl acetate 2405.56
    trichloroethylene 7648.03
    n-nonanol 1084.73
    cyclohexanol 5170.02
    benzyl alcohol 1123.69
    2-ethylhexanol 1708.61
    isooctanol 894.41
    dipropyl ether 2307.74
    1,2-dichlorobenzene 1866.57
    ethyl lactate 804.35
    propylene carbonate 2332.43
    n-methylformamide 1346.42
    2-pentanol 2778.4
    n-pentane 1311.11
    1-propoxy-2-propanol 2115.47
    1-methoxy-2-propyl acetate 1686.43
    2-(2-methoxypropoxy) propanol 1004.47
    mesitylene 761.06
    ε-caprolactone 4611.99
    p-cymene 704.93
    epichlorohydrin 3980.64
    1,1,1-trichloroethane 6403.27
    2-aminoethanol 1246.96
    morpholine-4-carbaldehyde 2565.91
    sulfolane 3838.58
    2,2,4-trimethylpentane 572.85
    2-methyltetrahydrofuran 5510.85
    n-hexyl acetate 2571.29
    isooctane 346.75
    2-(2-butoxyethoxy)ethanol 1486.58
    sec-butyl acetate 1673.02
    tert-butyl acetate 2257.03
    decalin 836.93
    glycerin 971.77
    diglyme 2779.85
    acrylic acid 1898.0
    isopropyl myristate 851.21
    n-butyric acid 4778.13
    acetyl acetate 2386.37
    di(2-ethylhexyl) phthalate 602.98
    ethyl propionate 1755.63
    nitromethane 3679.84
    1,2-diethoxyethane 2334.16
    benzonitrile 1694.99
    trioctyl phosphate 526.18
    1-bromopropane 4223.61
    gamma-valerolactone 4047.54
    n-decanol 710.34
    triethyl phosphate 781.11
    4-methyl-2-pentanol 1298.66
    propionitrile 2275.31
    vinylene carbonate 2028.24
    1,1,2-trichlorotrifluoroethane 3483.72
    DMS 1225.17
    cumene 643.42
    2-octanol 905.51
    2-hexanone 2138.56
    octyl acetate 1015.1
    limonene 1450.36
    1,2-dimethoxyethane 3367.06
    ethyl orthosilicate 852.99
    tributyl phosphate 726.56
    diacetone alcohol 1846.17
    N,N-dimethylaniline 812.64
    acrylonitrile 1947.91
    aniline 1682.24
    1,3-propanediol 2010.15
    bromobenzene 2470.8
    dibromomethane 6925.58
    1,1,2,2-tetrachloroethane 7259.16
    2-methyl-cyclohexyl acetate 1386.82
    tetrabutyl urea 809.45
    diisobutyl methanol 955.09
    2-phenylethanol 1041.3
    styrene 1088.49
    dioctyl adipate 1125.8
    dimethyl sulfate 927.27
    ethyl butyrate 1978.42
    methyl lactate 876.44
    butyl lactate 1206.9
    diethyl carbonate 1119.85
    propanediol butyl ether 1289.85
    triethyl orthoformate 1421.3
    p-tert-butyltoluene 670.05
    methyl 4-tert-butylbenzoate 1031.91
    morpholine 5187.5
    tert-butylamine 3507.61
    n-dodecanol 533.3
    dimethoxymethane 1519.92
    ethylene carbonate 2133.52
    cyrene 862.31
    2-ethoxyethyl acetate 1689.05
    2-ethylhexyl acetate 1931.78
    1,2,4-trichlorobenzene 2128.3
    4-methylpyridine 3039.48
    dibutyl ether 2257.01
    2,6-dimethyl-4-heptanol 955.09
    DEF 2685.8
    dimethyl isosorbide 1499.3
    tetrachloroethylene 5215.8
    eugenol 841.57
    triacetin 1754.1
    span 80 1228.2
    1,4-butanediol 845.63
    1,1-dichloroethane 6225.9
    2-methyl-1-pentanol 1899.17
    methyl formate 1029.1
    2-methyl-1-butanol 2928.73
    n-decane 427.01
    butyronitrile 2925.3
    3,7-dimethyl-1-octanol 1229.81
    1-chlorooctane 1210.81
    1-chlorotetradecane 424.22
    n-nonane 478.36
    undecane 276.56
    tert-butylcyclohexane 702.4
    cyclooctane 863.46
    cyclopentanol 4116.04
    tetrahydropyran 7293.72
    tert-amyl methyl ether 2702.56
    2,5,8-trioxanonane 1583.41
    1-hexene 2648.75
    2-isopropoxyethanol 1585.15
    2,2,2-trifluoroethanol 1233.39
    methyl butyrate 2547.67

    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