2-(2,2-Diethoxyethoxy)naphthalene

  • Identifiers

    Molecular formula
    C16H20O3

    SMILES
    CCOC(COC1=CC2=CC=CC=C2C=C1)OCC

  • Odor profile

    Fragrance
    Floral 72.21%
    Sweet 49.69%
    Fruity 49.01%
    Rose 42.35%
    Balsamic 36.18%
    Fresh 35.88%
    Hyacinth 34.21%
    Spicy 33.58%
    Green 33.45%
    Honey 30.71%

     

    Flavor
    Floral 65.12%
    Green 55.86%
    Fruity 54.75%
    Bitter 43.6%
    Rose 42.02%
    Sweet 39.51%
    Earthy 37.49%
    Hyacinth 33.16%
    Musty 28.86%
    Honey 28.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    6.77 (neutral)

    Molecular weight
    260.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    355°C

    Flash point

    • 153.86 ˚C est.

  • Synonyms

    • NSC67881
    • NSC-67881
    • AKOS012938001
  • Applications

    Chemical name: 2-(2,2-Diethoxyethoxy)naphthalene. 2-(2,2-Diethoxyethoxy)naphthalene is a naphthalene-derived compound bearing a diethoxyethoxy acetal substituent, primarily encountered as an organic-synthesis intermediate and a building block for more complex aryl derivatives. In practice, it is used as a stepping stone to prepare further naphthalene-based compounds and to enable multi-step synthetic sequences. The acetal moiety can serve as a protecting group for carbonyl functionalities in synthetic routes, allowing selective transformations at other sites before deprotection. As a rigid aryl building block, it is of interest for development of polymers and functional materials, including aromatic polymers and related systems. It may also be evaluated as a specialty intermediate in dyes and materials chemistry, subject to formulation constraints and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 185.4
    methanol 209.37
    isopropanol 103.64
    water 0.57
    ethyl acetate 694.52
    n-propanol 162.15
    acetone 528.97
    n-butanol 150.88
    acetonitrile 516.17
    DMF 262.45
    toluene 272.91
    isobutanol 113.86
    1,4-dioxane 1239.71
    methyl acetate 505.64
    THF 869.31
    2-butanone 368.9
    n-pentanol 143.27
    sec-butanol 109.53
    n-hexane 82.21
    ethylene glycol 31.89
    NMP 237.38
    cyclohexane 276.22
    DMSO 681.33
    n-butyl acetate 368.11
    n-octanol 51.11
    chloroform 2493.37
    n-propyl acetate 408.3
    acetic acid 381.48
    dichloromethane 3527.97
    cyclohexanone 601.0
    propylene glycol 27.84
    isopropyl acetate 278.06
    DMAc 343.4
    2-ethoxyethanol 311.06
    isopentanol 125.77
    n-heptane 58.87
    ethyl formate 299.18
    1,2-dichloroethane 2212.02
    n-hexanol 125.26
    2-methoxyethanol 283.33
    isobutyl acetate 218.37
    tetrachloromethane 310.43
    n-pentyl acetate 172.9
    transcutol 654.32
    n-heptanol 55.98
    ethylbenzene 156.85
    MIBK 160.0
    2-propoxyethanol 232.36
    tert-butanol 160.45
    MTBE 237.3
    2-butoxyethanol 124.82
    propionic acid 202.36
    o-xylene 145.81
    formic acid 89.85
    diethyl ether 643.75
    m-xylene 129.91
    p-xylene 203.32
    chlorobenzene 490.2
    dimethyl carbonate 180.77
    n-octane 25.15
    formamide 169.72
    cyclopentanone 528.37
    2-pentanone 292.26
    anisole 282.84
    cyclopentyl methyl ether 371.77
    gamma-butyrolactone 672.52
    1-methoxy-2-propanol 151.66
    pyridine 797.96
    3-pentanone 327.55
    furfural 545.3
    n-dodecane 16.13
    diethylene glycol 148.78
    diisopropyl ether 114.39
    tert-amyl alcohol 121.9
    acetylacetone 427.49
    n-hexadecane 18.66
    acetophenone 245.35
    methyl propionate 347.78
    isopentyl acetate 276.62
    trichloroethylene 2373.91
    n-nonanol 55.38
    cyclohexanol 212.18
    benzyl alcohol 171.11
    2-ethylhexanol 100.41
    isooctanol 52.37
    dipropyl ether 277.6
    1,2-dichlorobenzene 430.24
    ethyl lactate 104.31
    propylene carbonate 366.06
    n-methylformamide 162.79
    2-pentanol 90.27
    n-pentane 58.22
    1-propoxy-2-propanol 150.91
    1-methoxy-2-propyl acetate 237.57
    2-(2-methoxypropoxy) propanol 136.34
    mesitylene 87.0
    ε-caprolactone 520.17
    p-cymene 83.67
    epichlorohydrin 1212.91
    1,1,1-trichloroethane 1125.05
    2-aminoethanol 65.45
    morpholine-4-carbaldehyde 382.11
    sulfolane 575.03
    2,2,4-trimethylpentane 23.56
    2-methyltetrahydrofuran 560.41
    n-hexyl acetate 178.42
    isooctane 14.9
    2-(2-butoxyethoxy)ethanol 174.61
    sec-butyl acetate 233.34
    tert-butyl acetate 232.72
    decalin 65.56
    glycerin 53.0
    diglyme 500.82
    acrylic acid 175.99
    isopropyl myristate 88.46
    n-butyric acid 295.04
    acetyl acetate 489.04
    di(2-ethylhexyl) phthalate 70.98
    ethyl propionate 340.15
    nitromethane 727.54
    1,2-diethoxyethane 484.26
    benzonitrile 247.81
    trioctyl phosphate 47.89
    1-bromopropane 868.0
    gamma-valerolactone 581.3
    n-decanol 43.51
    triethyl phosphate 155.74
    4-methyl-2-pentanol 54.69
    propionitrile 315.96
    vinylene carbonate 391.39
    1,1,2-trichlorotrifluoroethane 421.35
    DMS 245.69
    cumene 98.84
    2-octanol 39.92
    2-hexanone 284.29
    octyl acetate 102.34
    limonene 117.58
    1,2-dimethoxyethane 721.02
    ethyl orthosilicate 145.01
    tributyl phosphate 79.04
    diacetone alcohol 148.63
    N,N-dimethylaniline 162.17
    acrylonitrile 343.21
    aniline 241.07
    1,3-propanediol 116.74
    bromobenzene 589.25
    dibromomethane 2019.47
    1,1,2,2-tetrachloroethane 1865.78
    2-methyl-cyclohexyl acetate 208.62
    tetrabutyl urea 95.06
    diisobutyl methanol 65.42
    2-phenylethanol 147.44
    styrene 221.98
    dioctyl adipate 143.38
    dimethyl sulfate 214.25
    ethyl butyrate 330.79
    methyl lactate 82.31
    butyl lactate 96.44
    diethyl carbonate 277.31
    propanediol butyl ether 67.0
    triethyl orthoformate 217.14
    p-tert-butyltoluene 73.56
    methyl 4-tert-butylbenzoate 149.01
    morpholine 840.33
    tert-butylamine 107.35
    n-dodecanol 37.56
    dimethoxymethane 366.68
    ethylene carbonate 386.96
    cyrene 137.8
    2-ethoxyethyl acetate 272.71
    2-ethylhexyl acetate 242.13
    1,2,4-trichlorobenzene 446.96
    4-methylpyridine 455.64
    dibutyl ether 187.24
    2,6-dimethyl-4-heptanol 65.42
    DEF 330.28
    dimethyl isosorbide 286.09
    tetrachloroethylene 1312.1
    eugenol 136.48
    triacetin 204.97
    span 80 96.65
    1,4-butanediol 60.89
    1,1-dichloroethane 1197.36
    2-methyl-1-pentanol 132.86
    methyl formate 181.32
    2-methyl-1-butanol 122.07
    n-decane 27.83
    butyronitrile 287.03
    3,7-dimethyl-1-octanol 62.14
    1-chlorooctane 87.35
    1-chlorotetradecane 41.12
    n-nonane 27.83
    undecane 19.89
    tert-butylcyclohexane 45.26
    cyclooctane 62.6
    cyclopentanol 170.11
    tetrahydropyran 981.61
    tert-amyl methyl ether 173.36
    2,5,8-trioxanonane 326.05
    1-hexene 203.55
    2-isopropoxyethanol 196.81
    2,2,2-trifluoroethanol 146.41
    methyl butyrate 423.36

    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