(2,2-Diethoxyethoxy)benzene

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  • Identifiers

    CAS number
    32438-31-6

    Molecular formula
    C12H18O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 56.19%
    Sweet 54.82%
    Green 51.92%
    Fresh 43.87%
    Fruity 43.72%
    Rose 36.8%
    Spicy 36.78%
    Hyacinth 35.91%
    Herbal 33.0%
    Almond 30.71%

     

    Flavor
    Green 62.36%
    Fruity 57.62%
    Floral 49.46%
    Earthy 41.71%
    Sweet 40.67%
    Bitter 35.46%
    Rose 32.63%
    Musty 30.49%
    Wine 29.89%
    Fruit 29.09%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.55 (neutral)

    Molecular weight
    210.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    254°C

    Flash point

    • 108.68 ˚C est.

  • Synonyms

    • (2,2-Diethoxyethoxy)benzene
    • 32438-31-6
    • Phenoxyacetaldehyde diethyl acetal
    • Benzene, (2,2-diethoxyethoxy)-
    • Acetaldehyde, phenoxy-, diethyl acetal
    • EA07RN0YEL
    • 2-phenoxyacetaldehyde diethyl acetal
    • EINECS 251-041-8
    • NSC 67872
    • NSC-67872
    • 2,2-Diethoxyethoxy-benzene,
    • AI3-05965
    • DTXSID0067682
    • ETHANE, 1,1-DIETHOXY-2-PHENOXY-
    • RefChem:394351
    • DTXCID9038509
    • 251-041-8
    • 2,2-diethoxyethoxybenzene
    • Phenoxy-acetaldehyde diethyl acetal
    • MFCD00272279
    • Phenoxyacetaldehyde diethylacetal
    • UNII-EA07RN0YEL
    • Benzene,2-diethoxyethoxy)-
    • NCIOpen2_003387
    • SCHEMBL1193076
    • SCHEMBL2457207
    • 1-(2,2-Diethoxyethoxy)benzene
    • SCHEMBL27726806
    • HBA43831
    • NSC67872
    • Phenoxy-acetaldehyde, diethyl acetal
    • AKOS009157619
    • (2,2-Diethoxyethoxy)benzene, AldrichCPR
    • SY131692
    • CS-0230110
    • NS00029279
    • EN300-102331
    • G32342
    • Z1142694074
    • 32438-31-6

  • Applications

    (2,2-Diethoxyethoxy)benzene (CAS 32438-31-6) finds applications as an organic synthesis intermediate, notably as an acetal-protected aldehyde building block; a precursor for functionalized aromatic compounds used in fine chemicals and specialty materials; in fragrance and flavor chemistry, where it may serve as a fragrance intermediate or odorant precursor; a component in coatings, inks, and adhesives, contributing to resin formation or crosslinking in formulation work; a stepping stone in pharmaceutical synthesis for assembling more complex molecules; and a versatile building block in research and method development for synthetic chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 514.89
    methanol 683.57
    isopropanol 298.25
    water 2.59
    ethyl acetate 933.26
    n-propanol 371.77
    acetone 929.48
    n-butanol 359.41
    acetonitrile 1040.92
    DMF 610.62
    toluene 368.52
    isobutanol 279.91
    1,4-dioxane 1431.81
    methyl acetate 709.91
    THF 1015.85
    2-butanone 569.66
    n-pentanol 275.37
    sec-butanol 287.52
    n-hexane 150.24
    ethylene glycol 148.98
    NMP 638.41
    cyclohexane 518.72
    DMSO 1447.33
    n-butyl acetate 601.71
    n-octanol 143.44
    chloroform 3854.96
    n-propyl acetate 533.06
    acetic acid 1432.62
    dichloromethane 4253.31
    cyclohexanone 1058.66
    propylene glycol 129.83
    isopropyl acetate 422.16
    DMAc 703.63
    2-ethoxyethanol 532.07
    isopentanol 307.55
    n-heptane 116.13
    ethyl formate 524.21
    1,2-dichloroethane 2470.57
    n-hexanol 286.05
    2-methoxyethanol 679.7
    isobutyl acetate 294.09
    tetrachloromethane 575.45
    n-pentyl acetate 308.18
    transcutol 1284.38
    n-heptanol 124.52
    ethylbenzene 219.24
    MIBK 248.43
    2-propoxyethanol 438.3
    tert-butanol 480.02
    MTBE 483.51
    2-butoxyethanol 240.33
    propionic acid 546.86
    o-xylene 228.31
    formic acid 379.8
    diethyl ether 805.28
    m-xylene 203.18
    p-xylene 315.13
    chlorobenzene 778.56
    dimethyl carbonate 261.39
    n-octane 42.43
    formamide 528.07
    cyclopentanone 840.83
    2-pentanone 454.63
    anisole 408.86
    cyclopentyl methyl ether 528.35
    gamma-butyrolactone 1107.98
    1-methoxy-2-propanol 372.78
    pyridine 1215.52
    3-pentanone 460.04
    furfural 1010.89
    n-dodecane 33.93
    diethylene glycol 374.44
    diisopropyl ether 182.04
    tert-amyl alcohol 378.21
    acetylacetone 645.0
    n-hexadecane 38.25
    acetophenone 397.48
    methyl propionate 510.93
    isopentyl acetate 447.59
    trichloroethylene 3367.81
    n-nonanol 134.48
    cyclohexanol 518.25
    benzyl alcohol 320.81
    2-ethylhexanol 220.69
    isooctanol 113.06
    dipropyl ether 395.2
    1,2-dichlorobenzene 759.32
    ethyl lactate 207.74
    propylene carbonate 677.22
    n-methylformamide 401.91
    2-pentanol 219.84
    n-pentane 123.02
    1-propoxy-2-propanol 318.5
    1-methoxy-2-propyl acetate 373.65
    2-(2-methoxypropoxy) propanol 279.66
    mesitylene 147.53
    ε-caprolactone 886.93
    p-cymene 152.43
    epichlorohydrin 1444.95
    1,1,1-trichloroethane 1686.16
    2-aminoethanol 249.59
    morpholine-4-carbaldehyde 718.57
    sulfolane 1189.77
    2,2,4-trimethylpentane 60.29
    2-methyltetrahydrofuran 794.46
    n-hexyl acetate 370.37
    isooctane 35.39
    2-(2-butoxyethoxy)ethanol 356.79
    sec-butyl acetate 316.18
    tert-butyl acetate 383.71
    decalin 121.33
    glycerin 225.15
    diglyme 807.71
    acrylic acid 535.46
    isopropyl myristate 165.3
    n-butyric acid 755.75
    acetyl acetate 799.73
    di(2-ethylhexyl) phthalate 145.48
    ethyl propionate 463.29
    nitromethane 1692.0
    1,2-diethoxyethane 644.55
    benzonitrile 520.08
    trioctyl phosphate 104.39
    1-bromopropane 1163.52
    gamma-valerolactone 935.48
    n-decanol 102.88
    triethyl phosphate 254.08
    4-methyl-2-pentanol 130.92
    propionitrile 636.43
    vinylene carbonate 710.51
    1,1,2-trichlorotrifluoroethane 1012.91
    DMS 400.0
    cumene 149.34
    2-octanol 94.65
    2-hexanone 387.88
    octyl acetate 193.74
    limonene 237.71
    1,2-dimethoxyethane 985.42
    ethyl orthosilicate 237.13
    tributyl phosphate 166.85
    diacetone alcohol 296.38
    N,N-dimethylaniline 262.19
    acrylonitrile 715.73
    aniline 442.08
    1,3-propanediol 356.14
    bromobenzene 954.44
    dibromomethane 2724.34
    1,1,2,2-tetrachloroethane 2811.31
    2-methyl-cyclohexyl acetate 319.02
    tetrabutyl urea 189.27
    diisobutyl methanol 137.3
    2-phenylethanol 262.08
    styrene 329.87
    dioctyl adipate 274.03
    dimethyl sulfate 399.53
    ethyl butyrate 477.32
    methyl lactate 217.94
    butyl lactate 206.38
    diethyl carbonate 407.09
    propanediol butyl ether 190.92
    triethyl orthoformate 337.19
    p-tert-butyltoluene 135.05
    methyl 4-tert-butylbenzoate 279.76
    morpholine 1202.54
    tert-butylamine 356.15
    n-dodecanol 85.84
    dimethoxymethane 517.69
    ethylene carbonate 662.13
    cyrene 271.16
    2-ethoxyethyl acetate 381.07
    2-ethylhexyl acetate 373.99
    1,2,4-trichlorobenzene 805.44
    4-methylpyridine 771.19
    dibutyl ether 334.14
    2,6-dimethyl-4-heptanol 137.3
    DEF 626.01
    dimethyl isosorbide 472.34
    tetrachloroethylene 1989.03
    eugenol 265.27
    triacetin 411.54
    span 80 239.48
    1,4-butanediol 170.34
    1,1-dichloroethane 1781.12
    2-methyl-1-pentanol 261.72
    methyl formate 407.19
    2-methyl-1-butanol 297.6
    n-decane 55.15
    butyronitrile 566.67
    3,7-dimethyl-1-octanol 158.45
    1-chlorooctane 178.81
    1-chlorotetradecane 80.8
    n-nonane 56.38
    undecane 40.37
    tert-butylcyclohexane 89.56
    cyclooctane 116.37
    cyclopentanol 403.68
    tetrahydropyran 1279.4
    tert-amyl methyl ether 339.25
    2,5,8-trioxanonane 551.36
    1-hexene 336.45
    2-isopropoxyethanol 336.35
    2,2,2-trifluoroethanol 450.72
    methyl butyrate 613.85

    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