1,1-Bis(phenethyloxy)ethane

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  • Identifiers

    CAS number
    122-71-4

    Molecular formula
    C18H22O2

    SMILES
    CC(OCCC1=CC=CC=C1)OCCC2=CC=CC=C2

  • Odor profile

    Fragrance
    Floral 79.89%
    Green 79.84%
    Rose 72.83%
    Hyacinth 62.49%
    Leafy 50.4%
    Sweet 45.72%
    Honey 45.59%
    Balsamic 42.51%
    Fresh 41.23%
    Earthy 41.21%

     

    Flavor
    Green 85.45%
    Floral 75.02%
    Rose 64.27%
    Bitter 58.16%
    Hyacinth 57.83%
    Earthy 45.81%
    Honey 43.62%
    Sweet 33.89%
    Leaf 32.76%
    Mushroom 32.74%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    6.38 (neutral)

    Molecular weight
    270.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    351°C

    Flash point

    • 157.21 ˚C est.

  • Synonyms

    • 1,1-Bis(phenethyloxy)ethane
    • Acetaldehyde diphenethyl acetal
    • 122-71-4
    • Phenylethylacetal
    • 2-[1-(2-phenylethoxy)ethoxy]ethylbenzene
    • Benzene, 1,1'-[ethylidenebis(oxy-2,1-ethanediyl)]bis-
    • EINECS 204-568-2
    • DTXSID8051625
    • Benzene, 1,1'-(ethylidenebis(oxy-2,1-ethanediyl))bis-
    • 1,1'-[Ethylidenebis(oxy-2,1-ethanediyl)]bis[benzene]
    • 1,1'-(Ethylidenebis(oxy-2,1-ethanediyl))bis(benzene)
    • Acetaldehyde diphenylethylacetal
    • SCHEMBL4449191
    • WD6P59RS23
    • DTXCID9030177
    • NS00011925
    • (2-[1-(2-Phenylethoxy)ethoxy]ethyl)benzene #
    • 204-568-2

  • Applications

    For 1,1-Bis(phenethyloxy)ethane (CAS 122-71-4), potential applications include: as a fragrance ingredient or solvent in perfumery formulations; as a solvent or co-solvent in cosmetics/personal care; as a solvent in cleaning and household products; as an intermediate for specialty chemicals in industrial manufacturing; as a processing aid or solvent in coatings and inks; and as a processing intermediate or additive in polymer synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 40.98
    methanol 38.1
    isopropanol 26.43
    water 0.11
    ethyl acetate 337.28
    n-propanol 45.61
    acetone 152.5
    n-butanol 47.62
    acetonitrile 124.95
    DMF 104.7
    toluene 217.94
    isobutanol 34.72
    1,4-dioxane 566.28
    methyl acetate 219.46
    THF 726.89
    2-butanone 187.81
    n-pentanol 47.51
    sec-butanol 40.02
    n-hexane 55.08
    ethylene glycol 5.91
    NMP 167.96
    cyclohexane 149.86
    DMSO 346.76
    n-butyl acetate 220.08
    n-octanol 21.32
    chloroform 1726.13
    n-propyl acetate 209.56
    acetic acid 100.83
    dichloromethane 2067.31
    cyclohexanone 360.01
    propylene glycol 11.75
    isopropyl acetate 191.83
    DMAc 272.57
    2-ethoxyethanol 104.3
    isopentanol 47.72
    n-heptane 43.39
    ethyl formate 109.93
    1,2-dichloroethane 1241.28
    n-hexanol 54.32
    2-methoxyethanol 90.53
    isobutyl acetate 138.12
    tetrachloromethane 186.81
    n-pentyl acetate 95.72
    transcutol 563.88
    n-heptanol 24.79
    ethylbenzene 112.08
    MIBK 123.31
    2-propoxyethanol 115.98
    tert-butanol 54.32
    MTBE 141.33
    2-butoxyethanol 67.8
    propionic acid 79.72
    o-xylene 120.26
    formic acid 20.68
    diethyl ether 309.93
    m-xylene 109.38
    p-xylene 129.83
    chlorobenzene 332.3
    dimethyl carbonate 105.11
    n-octane 12.2
    formamide 42.78
    cyclopentanone 358.65
    2-pentanone 163.87
    anisole 216.87
    cyclopentyl methyl ether 311.15
    gamma-butyrolactone 459.99
    1-methoxy-2-propanol 81.55
    pyridine 412.35
    3-pentanone 233.17
    furfural 332.4
    n-dodecane 8.08
    diethylene glycol 58.99
    diisopropyl ether 88.61
    tert-amyl alcohol 57.36
    acetylacetone 284.99
    n-hexadecane 9.67
    acetophenone 193.59
    methyl propionate 217.52
    isopentyl acetate 191.47
    trichloroethylene 1565.04
    n-nonanol 26.29
    cyclohexanol 90.39
    benzyl alcohol 93.16
    2-ethylhexanol 62.29
    isooctanol 25.97
    dipropyl ether 240.68
    1,2-dichlorobenzene 332.89
    ethyl lactate 66.37
    propylene carbonate 259.1
    n-methylformamide 47.25
    2-pentanol 38.1
    n-pentane 29.3
    1-propoxy-2-propanol 108.94
    1-methoxy-2-propyl acetate 218.8
    2-(2-methoxypropoxy) propanol 116.86
    mesitylene 77.29
    ε-caprolactone 309.86
    p-cymene 65.73
    epichlorohydrin 749.22
    1,1,1-trichloroethane 725.17
    2-aminoethanol 17.17
    morpholine-4-carbaldehyde 246.68
    sulfolane 470.9
    2,2,4-trimethylpentane 19.29
    2-methyltetrahydrofuran 386.66
    n-hexyl acetate 102.32
    isooctane 11.02
    2-(2-butoxyethoxy)ethanol 134.43
    sec-butyl acetate 153.4
    tert-butyl acetate 197.24
    decalin 55.4
    glycerin 22.43
    diglyme 370.01
    acrylic acid 72.34
    isopropyl myristate 62.59
    n-butyric acid 128.18
    acetyl acetate 270.25
    di(2-ethylhexyl) phthalate 53.02
    ethyl propionate 213.13
    nitromethane 240.26
    1,2-diethoxyethane 326.9
    benzonitrile 130.27
    trioctyl phosphate 31.12
    1-bromopropane 510.57
    gamma-valerolactone 373.77
    n-decanol 21.0
    triethyl phosphate 138.52
    4-methyl-2-pentanol 29.31
    propionitrile 114.05
    vinylene carbonate 246.56
    1,1,2-trichlorotrifluoroethane 304.97
    DMS 170.38
    cumene 74.07
    2-octanol 16.5
    2-hexanone 153.56
    octyl acetate 63.27
    limonene 100.13
    1,2-dimethoxyethane 327.14
    ethyl orthosilicate 129.45
    tributyl phosphate 56.21
    diacetone alcohol 114.43
    N,N-dimethylaniline 141.92
    acrylonitrile 122.87
    aniline 141.24
    1,3-propanediol 30.62
    bromobenzene 444.18
    dibromomethane 1255.98
    1,1,2,2-tetrachloroethane 1363.31
    2-methyl-cyclohexyl acetate 172.63
    tetrabutyl urea 67.29
    diisobutyl methanol 49.23
    2-phenylethanol 86.79
    styrene 153.27
    dioctyl adipate 109.42
    dimethyl sulfate 178.16
    ethyl butyrate 253.6
    methyl lactate 59.21
    butyl lactate 63.95
    diethyl carbonate 190.4
    propanediol butyl ether 40.17
    triethyl orthoformate 192.25
    p-tert-butyltoluene 60.45
    methyl 4-tert-butylbenzoate 136.11
    morpholine 404.15
    tert-butylamine 44.5
    n-dodecanol 18.22
    dimethoxymethane 196.29
    ethylene carbonate 229.13
    cyrene 112.55
    2-ethoxyethyl acetate 166.8
    2-ethylhexyl acetate 170.64
    1,2,4-trichlorobenzene 367.41
    4-methylpyridine 273.43
    dibutyl ether 129.65
    2,6-dimethyl-4-heptanol 49.23
    DEF 219.07
    dimethyl isosorbide 281.8
    tetrachloroethylene 809.72
    eugenol 96.13
    triacetin 177.31
    span 80 82.46
    1,4-butanediol 15.6
    1,1-dichloroethane 750.33
    2-methyl-1-pentanol 55.46
    methyl formate 54.42
    2-methyl-1-butanol 47.8
    n-decane 14.7
    butyronitrile 105.16
    3,7-dimethyl-1-octanol 37.61
    1-chlorooctane 53.8
    1-chlorotetradecane 24.28
    n-nonane 13.94
    undecane 10.35
    tert-butylcyclohexane 36.62
    cyclooctane 43.55
    cyclopentanol 76.09
    tetrahydropyran 516.41
    tert-amyl methyl ether 129.45
    2,5,8-trioxanonane 254.73
    1-hexene 118.84
    2-isopropoxyethanol 85.58
    2,2,2-trifluoroethanol 54.62
    methyl butyrate 236.36

    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