1,1-Dibenzyloxy-2-phenylethane

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  • Identifiers

    CAS number
    65416-19-5

    Molecular formula
    C22H22O2

    SMILES
    C1=CC=C(C=C1)CC(OCC2=CC=CC=C2)OCC3=CC=CC=C3

  • Odor profile

    Fragrance
    Green 71.04%
    Sweet 64.41%
    Rose 62.08%
    Fruity 60.42%
    Floral 52.02%
    Balsamic 48.95%
    Earthy 44.19%
    Hyacinth 43.64%
    Almond 41.68%
    Metallic 38.03%

     

    Flavor
    Floral 67.15%
    Fruity 61.6%
    Sweet 59.77%
    Green 58.89%
    Rose 58.89%
    Earthy 41.7%
    Hyacinth 41.16%
    Honey 38.84%
    Mushroom 37.44%
    Balsam 37.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    5.95 (weak acid)

    Molecular weight
    318.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    437°C

    Flash point

    • 186.46 ˚C est.

  • Synonyms

    • 1,1-Dibenzyloxy-2-phenylethane
    • 65416-19-5
    • Phenylacetaldehyde, dibenzylacetate
    • DTXSID5070317
    • phenyl-acetaldehyde dibenzylacetal
    • NSC 46164
    • Benzene, 1,1'-((2-phenylethylidene)bis(oxymethylene))bis-
    • Benzene, 1,1'-[(2-phenylethylidene)bis(oxymethylene)]bis-
    • Phenylacetaldehyde dibenzyl acetal
    • NSC46164
    • SCHEMBL3276722
    • DTXCID9044611
    • NUOSANPWVZHVHL-UHFFFAOYSA-N
    • NSC-46164
    • Benzene,1'-[(2-phenylethylidene)bis(oxymethylene)]bis-

  • Applications

    Primarily, 1,1-Dibenzyloxy-2-phenylethane is used as an organic synthesis intermediate and as a protected diol building block in fine chemical production. The dibenzyl ether functionality protects two hydroxyl groups at C1, enabling controlled manipulation of the carbon framework and can be deprotected later by hydrogenolysis to reveal free -OH groups. It serves as a precursor for more complex benzyl-ether containing compounds in pharmaceutical and agrochemical research. In fragrance and cosmetic chemistry, it may appear as an intermediate route to phenethyl-derivative structures; in polymer and coating applications, it can provide a masked diol handle that can be unmasked for crosslinking or further functionalization, subject to formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.9
    methanol 5.15
    isopropanol 3.67
    water 0.08
    ethyl acetate 67.9
    n-propanol 6.42
    acetone 27.43
    n-butanol 7.46
    acetonitrile 29.74
    DMF 24.72
    toluene 63.37
    isobutanol 4.96
    1,4-dioxane 98.77
    methyl acetate 45.57
    THF 250.52
    2-butanone 40.75
    n-pentanol 9.97
    sec-butanol 5.85
    n-hexane 7.47
    ethylene glycol 1.26
    NMP 29.08
    cyclohexane 13.06
    DMSO 68.04
    n-butyl acetate 51.12
    n-octanol 7.35
    chloroform 547.2
    n-propyl acetate 49.52
    acetic acid 28.56
    dichloromethane 686.65
    cyclohexanone 70.89
    propylene glycol 2.57
    isopropyl acetate 49.5
    DMAc 69.38
    2-ethoxyethanol 25.39
    isopentanol 9.29
    n-heptane 11.86
    ethyl formate 32.39
    1,2-dichloroethane 369.9
    n-hexanol 11.36
    2-methoxyethanol 19.9
    isobutyl acetate 38.9
    tetrachloromethane 29.36
    n-pentyl acetate 31.51
    transcutol 131.67
    n-heptanol 9.11
    ethylbenzene 45.64
    MIBK 38.39
    2-propoxyethanol 28.82
    tert-butanol 7.75
    MTBE 20.89
    2-butoxyethanol 24.01
    propionic acid 19.17
    o-xylene 34.16
    formic acid 5.96
    diethyl ether 36.78
    m-xylene 35.8
    p-xylene 44.63
    chlorobenzene 103.36
    dimethyl carbonate 40.69
    n-octane 4.38
    formamide 15.14
    cyclopentanone 95.15
    2-pentanone 39.17
    anisole 86.19
    cyclopentyl methyl ether 57.69
    gamma-butyrolactone 135.45
    1-methoxy-2-propanol 18.69
    pyridine 123.94
    3-pentanone 46.2
    furfural 116.95
    n-dodecane 3.02
    diethylene glycol 14.32
    diisopropyl ether 17.7
    tert-amyl alcohol 9.53
    acetylacetone 93.35
    n-hexadecane 3.53
    acetophenone 74.99
    methyl propionate 44.57
    isopentyl acetate 51.25
    trichloroethylene 565.27
    n-nonanol 9.55
    cyclohexanol 11.3
    benzyl alcohol 31.42
    2-ethylhexanol 15.69
    isooctanol 10.14
    dipropyl ether 64.09
    1,2-dichlorobenzene 113.88
    ethyl lactate 23.29
    propylene carbonate 85.66
    n-methylformamide 14.06
    2-pentanol 6.59
    n-pentane 3.35
    1-propoxy-2-propanol 28.3
    1-methoxy-2-propyl acetate 64.65
    2-(2-methoxypropoxy) propanol 42.23
    mesitylene 25.07
    ε-caprolactone 71.48
    p-cymene 25.95
    epichlorohydrin 259.07
    1,1,1-trichloroethane 191.21
    2-aminoethanol 3.4
    morpholine-4-carbaldehyde 52.43
    sulfolane 116.14
    2,2,4-trimethylpentane 4.1
    2-methyltetrahydrofuran 74.64
    n-hexyl acetate 31.36
    isooctane 2.94
    2-(2-butoxyethoxy)ethanol 44.66
    sec-butyl acetate 43.33
    tert-butyl acetate 56.66
    decalin 12.28
    glycerin 4.81
    diglyme 131.41
    acrylic acid 20.68
    isopropyl myristate 23.02
    n-butyric acid 33.27
    acetyl acetate 75.95
    di(2-ethylhexyl) phthalate 20.85
    ethyl propionate 59.21
    nitromethane 74.67
    1,2-diethoxyethane 84.21
    benzonitrile 46.87
    trioctyl phosphate 11.79
    1-bromopropane 112.23
    gamma-valerolactone 101.48
    n-decanol 7.86
    triethyl phosphate 44.47
    4-methyl-2-pentanol 8.07
    propionitrile 25.82
    vinylene carbonate 86.08
    1,1,2-trichlorotrifluoroethane 94.83
    DMS 48.94
    cumene 30.15
    2-octanol 5.92
    2-hexanone 39.76
    octyl acetate 22.18
    limonene 30.0
    1,2-dimethoxyethane 91.2
    ethyl orthosilicate 43.62
    tributyl phosphate 17.99
    diacetone alcohol 36.33
    N,N-dimethylaniline 51.08
    acrylonitrile 36.92
    aniline 33.34
    1,3-propanediol 6.29
    bromobenzene 144.75
    dibromomethane 367.68
    1,1,2,2-tetrachloroethane 411.64
    2-methyl-cyclohexyl acetate 56.12
    tetrabutyl urea 22.25
    diisobutyl methanol 18.17
    2-phenylethanol 30.9
    styrene 57.52
    dioctyl adipate 42.86
    dimethyl sulfate 61.57
    ethyl butyrate 74.53
    methyl lactate 18.83
    butyl lactate 21.79
    diethyl carbonate 58.61
    propanediol butyl ether 13.71
    triethyl orthoformate 59.52
    p-tert-butyltoluene 23.54
    methyl 4-tert-butylbenzoate 59.47
    morpholine 61.13
    tert-butylamine 5.88
    n-dodecanol 6.88
    dimethoxymethane 56.45
    ethylene carbonate 67.23
    cyrene 45.65
    2-ethoxyethyl acetate 56.2
    2-ethylhexyl acetate 44.18
    1,2,4-trichlorobenzene 118.51
    4-methylpyridine 73.69
    dibutyl ether 35.8
    2,6-dimethyl-4-heptanol 18.17
    DEF 44.15
    dimethyl isosorbide 116.15
    tetrachloroethylene 201.21
    eugenol 42.79
    triacetin 60.5
    span 80 29.73
    1,4-butanediol 3.9
    1,1-dichloroethane 165.07
    2-methyl-1-pentanol 13.48
    methyl formate 19.64
    2-methyl-1-butanol 8.0
    n-decane 5.06
    butyronitrile 25.64
    3,7-dimethyl-1-octanol 12.3
    1-chlorooctane 17.55
    1-chlorotetradecane 8.77
    n-nonane 4.55
    undecane 3.69
    tert-butylcyclohexane 9.7
    cyclooctane 6.84
    cyclopentanol 12.01
    tetrahydropyran 80.27
    tert-amyl methyl ether 23.67
    2,5,8-trioxanonane 95.63
    1-hexene 20.3
    2-isopropoxyethanol 21.61
    2,2,2-trifluoroethanol 14.82
    methyl butyrate 65.98

    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