(3,3-Diethoxypropoxy)benzene

  • Identifiers

    Molecular formula
    C13H20O3

    SMILES
    CCOC(CCOC1=CC=CC=C1)OCC

  • Odor profile

    Fragrance
    Green 72.21%
    Sweet 67.03%
    Floral 62.27%
    Spicy 49.5%
    Fresh 47.09%
    Herbal 45.55%
    Hyacinth 41.32%
    Fruity 40.86%
    Rose 36.46%
    Almond 34.13%

     

    Flavor
    Green 66.59%
    Fruity 61.1%
    Floral 47.49%
    Earthy 44.68%
    Sweet 40.13%
    Rose 33.59%
    Bitter 31.91%
    Wine 31.8%
    Fruit 30.28%
    Mushroom 28.73%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    7.13 (neutral)

    Molecular weight
    224.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    275°C

    Flash point

    • 112.26 ˚C est.

  • Synonyms

    • (3,3-diethoxypropoxy)benzene
    • AKOS012939819
  • Applications

    (3,3-Diethoxypropoxy)benzene is primarily used as an intermediate in organic synthesis; it may function as a solvent or processing aid in coatings, inks, and adhesives; it serves as a precursor for specialty polymers and resins; it is used as a building block in industrial formulations; it may appear as a component in cleaning formulations as a solvent or processing aid.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 497.53
    methanol 523.78
    isopropanol 355.69
    water 1.28
    ethyl acetate 1374.56
    n-propanol 434.18
    acetone 1594.03
    n-butanol 447.64
    acetonitrile 1463.3
    DMF 992.6
    toluene 577.41
    isobutanol 391.82
    1,4-dioxane 1612.63
    methyl acetate 1185.02
    THF 1707.08
    2-butanone 1113.48
    n-pentanol 351.59
    sec-butanol 429.23
    n-hexane 247.03
    ethylene glycol 138.01
    NMP 1314.75
    cyclohexane 538.24
    DMSO 2521.73
    n-butyl acetate 828.66
    n-octanol 227.19
    chloroform 5494.69
    n-propyl acetate 814.0
    acetic acid 1273.69
    dichloromethane 6951.6
    cyclohexanone 1827.68
    propylene glycol 148.28
    isopropyl acetate 718.93
    DMAc 1337.34
    2-ethoxyethanol 604.59
    isopentanol 427.82
    n-heptane 158.93
    ethyl formate 631.61
    1,2-dichloroethane 3666.35
    n-hexanol 344.15
    2-methoxyethanol 718.66
    isobutyl acetate 488.69
    tetrachloromethane 841.54
    n-pentyl acetate 476.04
    transcutol 1879.47
    n-heptanol 157.11
    ethylbenzene 327.49
    MIBK 505.93
    2-propoxyethanol 552.09
    tert-butanol 554.18
    MTBE 790.63
    2-butoxyethanol 311.33
    propionic acid 703.23
    o-xylene 397.19
    formic acid 293.24
    diethyl ether 1231.67
    m-xylene 380.8
    p-xylene 454.03
    chlorobenzene 1092.64
    dimethyl carbonate 489.25
    n-octane 57.85
    formamide 439.1
    cyclopentanone 1614.18
    2-pentanone 894.61
    anisole 597.93
    cyclopentyl methyl ether 1093.42
    gamma-butyrolactone 1925.83
    1-methoxy-2-propanol 530.58
    pyridine 1341.71
    3-pentanone 971.03
    furfural 1294.67
    n-dodecane 47.32
    diethylene glycol 400.78
    diisopropyl ether 329.66
    tert-amyl alcohol 546.16
    acetylacetone 1275.82
    n-hexadecane 55.45
    acetophenone 590.1
    methyl propionate 958.65
    isopentyl acetate 643.55
    trichloroethylene 5240.02
    n-nonanol 200.21
    cyclohexanol 764.22
    benzyl alcohol 387.2
    2-ethylhexanol 289.66
    isooctanol 149.77
    dipropyl ether 641.59
    1,2-dichlorobenzene 1102.17
    ethyl lactate 303.5
    propylene carbonate 1068.12
    n-methylformamide 502.17
    2-pentanol 343.33
    n-pentane 177.69
    1-propoxy-2-propanol 436.8
    1-methoxy-2-propyl acetate 657.82
    2-(2-methoxypropoxy) propanol 419.08
    mesitylene 259.52
    ε-caprolactone 1437.29
    p-cymene 216.2
    epichlorohydrin 2294.28
    1,1,1-trichloroethane 2777.67
    2-aminoethanol 232.74
    morpholine-4-carbaldehyde 1164.72
    sulfolane 2398.09
    2,2,4-trimethylpentane 101.27
    2-methyltetrahydrofuran 1499.28
    n-hexyl acetate 639.96
    isooctane 58.84
    2-(2-butoxyethoxy)ethanol 499.62
    sec-butyl acetate 520.28
    tert-butyl acetate 734.04
    decalin 191.93
    glycerin 250.35
    diglyme 1103.87
    acrylic acid 641.66
    isopropyl myristate 277.21
    n-butyric acid 916.73
    acetyl acetate 1167.95
    di(2-ethylhexyl) phthalate 229.2
    ethyl propionate 757.55
    nitromethane 2250.01
    1,2-diethoxyethane 912.57
    benzonitrile 690.07
    trioctyl phosphate 166.27
    1-bromopropane 1800.54
    gamma-valerolactone 1535.69
    n-decanol 148.05
    triethyl phosphate 377.79
    4-methyl-2-pentanol 196.79
    propionitrile 808.82
    vinylene carbonate 1036.72
    1,1,2-trichlorotrifluoroethane 1359.27
    DMS 657.85
    cumene 222.1
    2-octanol 134.62
    2-hexanone 671.8
    octyl acetate 316.12
    limonene 377.96
    1,2-dimethoxyethane 1282.51
    ethyl orthosilicate 342.78
    tributyl phosphate 274.19
    diacetone alcohol 546.91
    N,N-dimethylaniline 406.94
    acrylonitrile 916.85
    aniline 572.91
    1,3-propanediol 343.59
    bromobenzene 1440.96
    dibromomethane 4367.53
    1,1,2,2-tetrachloroethane 4293.98
    2-methyl-cyclohexyl acetate 498.8
    tetrabutyl urea 321.93
    diisobutyl methanol 184.07
    2-phenylethanol 320.2
    styrene 456.54
    dioctyl adipate 440.24
    dimethyl sulfate 869.74
    ethyl butyrate 725.52
    methyl lactate 355.14
    butyl lactate 312.17
    diethyl carbonate 582.16
    propanediol butyl ether 279.18
    triethyl orthoformate 484.74
    p-tert-butyltoluene 195.4
    methyl 4-tert-butylbenzoate 441.37
    morpholine 1516.12
    tert-butylamine 426.51
    n-dodecanol 122.24
    dimethoxymethane 852.36
    ethylene carbonate 940.42
    cyrene 420.72
    2-ethoxyethyl acetate 611.95
    2-ethylhexyl acetate 543.57
    1,2,4-trichlorobenzene 1205.14
    4-methylpyridine 1090.01
    dibutyl ether 548.25
    2,6-dimethyl-4-heptanol 184.07
    DEF 1087.08
    dimethyl isosorbide 756.58
    tetrachloroethylene 2645.58
    eugenol 356.91
    triacetin 736.47
    span 80 364.03
    1,4-butanediol 182.27
    1,1-dichloroethane 2841.07
    2-methyl-1-pentanol 355.12
    methyl formate 503.55
    2-methyl-1-butanol 448.78
    n-decane 80.47
    butyronitrile 780.77
    3,7-dimethyl-1-octanol 242.31
    1-chlorooctane 298.9
    1-chlorotetradecane 128.74
    n-nonane 84.49
    undecane 57.99
    tert-butylcyclohexane 146.7
    cyclooctane 149.05
    cyclopentanol 657.43
    tetrahydropyran 1645.61
    tert-amyl methyl ether 640.86
    2,5,8-trioxanonane 763.31
    1-hexene 514.28
    2-isopropoxyethanol 444.35
    2,2,2-trifluoroethanol 514.26
    methyl butyrate 950.08

    Scent© AI

1 of 4
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