Benzyl 2-phenylethyl ether

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  • Identifiers

    CAS number
    54894-37-0

    Molecular formula
    C15H16O

    SMILES
    C1=CC=C(C=C1)CCOCC2=CC=CC=C2

  • Odor profile

    Fragrance
    Rose 71.69%
    Green 69.71%
    Floral 68.0%
    Fruity 64.61%
    Hyacinth 51.52%
    Sweet 51.38%
    Balsamic 48.12%
    Earthy 45.01%
    Metallic 43.03%
    Honey 41.83%

     

    Flavor
    Rose 74.72%
    Floral 69.28%
    Hyacinth 53.91%
    Sweet 51.37%
    Honey 49.41%
    Fruity 48.84%
    Green 45.63%
    Balsam 44.96%
    Earthy 39.56%
    Chocolate 36.31%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    5.79 (weak acid)

    Molecular weight
    212.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    312°C

    Flash point

    • 139.18 ˚C est.

  • Synonyms

    • Benzyl 2-phenylethyl ether
    • 54894-37-0
    • [(2-phenylethoxy)methyl]benzene
    • Benzene, ((2-phenylethoxy)methyl)-
    • 9UP77D6TM4
    • ((2-Phenylethoxy)methyl)benzene
    • EINECS 259-386-6
    • UNII-9UP77D6TM4
    • DTXSID1068980
    • Benzene, [(2-phenylethoxy)methyl]-
    • SCHEMBL1066576
    • DTXCID5041803
    • MTWBNQBGOBEJKB-UHFFFAOYSA-N
    • NS00033207

  • Applications

    Benzyl 2-phenylethyl ether (CAS number: 54894-37-0) is commonly used as a fragrance ingredient and fixative in perfumery, contributing floral notes and helping to extend the aroma in formulations. It is often considered an intermediate in fragrance synthesis and may act as a solvent or carrier for other scent components in cosmetics and personal care products. In household products it serves as a fragrance additive in air fresheners and scented cleaners; in coatings and inks it can function as a fragrance component to impart a pleasant odor during application and curing. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 47.76
    methanol 35.74
    isopropanol 27.92
    water 0.07
    ethyl acetate 239.87
    n-propanol 43.64
    acetone 63.17
    n-butanol 42.51
    acetonitrile 91.93
    DMF 36.07
    toluene 115.59
    isobutanol 27.94
    1,4-dioxane 469.3
    methyl acetate 135.18
    THF 387.36
    2-butanone 99.34
    n-pentanol 44.91
    sec-butanol 34.38
    n-hexane 35.9
    ethylene glycol 13.0
    NMP 34.33
    cyclohexane 66.57
    DMSO 169.54
    n-butyl acetate 148.63
    n-octanol 25.96
    chloroform 853.77
    n-propyl acetate 131.15
    acetic acid 84.3
    dichloromethane 932.31
    cyclohexanone 156.01
    propylene glycol 21.08
    isopropyl acetate 120.94
    DMAc 73.72
    2-ethoxyethanol 103.96
    isopentanol 43.13
    n-heptane 44.82
    ethyl formate 82.0
    1,2-dichloroethane 633.06
    n-hexanol 61.36
    2-methoxyethanol 94.19
    isobutyl acetate 99.6
    tetrachloromethane 69.57
    n-pentyl acetate 63.94
    transcutol 652.92
    n-heptanol 28.72
    ethylbenzene 92.82
    MIBK 87.22
    2-propoxyethanol 112.85
    tert-butanol 48.05
    MTBE 80.2
    2-butoxyethanol 65.35
    propionic acid 58.46
    o-xylene 75.43
    formic acid 14.99
    diethyl ether 190.49
    m-xylene 73.62
    p-xylene 85.54
    chlorobenzene 159.75
    dimethyl carbonate 60.13
    n-octane 14.47
    formamide 29.19
    cyclopentanone 135.74
    2-pentanone 90.98
    anisole 178.45
    cyclopentyl methyl ether 126.45
    gamma-butyrolactone 186.93
    1-methoxy-2-propanol 73.79
    pyridine 269.83
    3-pentanone 98.0
    furfural 205.49
    n-dodecane 10.07
    diethylene glycol 75.63
    diisopropyl ether 60.79
    tert-amyl alcohol 44.74
    acetylacetone 158.53
    n-hexadecane 11.6
    acetophenone 130.32
    methyl propionate 109.47
    isopentyl acetate 138.05
    trichloroethylene 796.34
    n-nonanol 29.7
    cyclohexanol 52.0
    benzyl alcohol 79.33
    2-ethylhexanol 62.77
    isooctanol 30.91
    dipropyl ether 210.27
    1,2-dichlorobenzene 163.81
    ethyl lactate 58.14
    propylene carbonate 138.39
    n-methylformamide 28.59
    2-pentanol 34.76
    n-pentane 18.43
    1-propoxy-2-propanol 104.54
    1-methoxy-2-propyl acetate 149.5
    2-(2-methoxypropoxy) propanol 116.2
    mesitylene 56.98
    ε-caprolactone 150.28
    p-cymene 59.2
    epichlorohydrin 403.51
    1,1,1-trichloroethane 341.05
    2-aminoethanol 25.52
    morpholine-4-carbaldehyde 132.75
    sulfolane 183.85
    2,2,4-trimethylpentane 13.21
    2-methyltetrahydrofuran 183.65
    n-hexyl acetate 79.05
    isooctane 12.37
    2-(2-butoxyethoxy)ethanol 148.1
    sec-butyl acetate 104.43
    tert-butyl acetate 126.29
    decalin 37.69
    glycerin 32.64
    diglyme 364.58
    acrylic acid 53.38
    isopropyl myristate 52.91
    n-butyric acid 105.09
    acetyl acetate 159.49
    di(2-ethylhexyl) phthalate 44.3
    ethyl propionate 132.82
    nitromethane 152.57
    1,2-diethoxyethane 280.75
    benzonitrile 101.45
    trioctyl phosphate 26.35
    1-bromopropane 259.1
    gamma-valerolactone 188.45
    n-decanol 25.12
    triethyl phosphate 83.26
    4-methyl-2-pentanol 32.29
    propionitrile 81.41
    vinylene carbonate 133.5
    1,1,2-trichlorotrifluoroethane 181.82
    DMS 103.31
    cumene 66.2
    2-octanol 19.07
    2-hexanone 104.82
    octyl acetate 51.43
    limonene 78.3
    1,2-dimethoxyethane 278.99
    ethyl orthosilicate 81.96
    tributyl phosphate 39.86
    diacetone alcohol 94.67
    N,N-dimethylaniline 108.34
    acrylonitrile 91.66
    aniline 79.68
    1,3-propanediol 40.1
    bromobenzene 198.48
    dibromomethane 582.38
    1,1,2,2-tetrachloroethane 664.42
    2-methyl-cyclohexyl acetate 121.0
    tetrabutyl urea 49.93
    diisobutyl methanol 56.55
    2-phenylethanol 79.22
    styrene 114.64
    dioctyl adipate 87.64
    dimethyl sulfate 77.82
    ethyl butyrate 174.01
    methyl lactate 43.95
    butyl lactate 50.22
    diethyl carbonate 132.77
    propanediol butyl ether 48.93
    triethyl orthoformate 129.63
    p-tert-butyltoluene 54.05
    methyl 4-tert-butylbenzoate 111.02
    morpholine 293.28
    tert-butylamine 37.55
    n-dodecanol 22.89
    dimethoxymethane 122.49
    ethylene carbonate 116.17
    cyrene 86.19
    2-ethoxyethyl acetate 116.55
    2-ethylhexyl acetate 109.75
    1,2,4-trichlorobenzene 172.67
    4-methylpyridine 141.88
    dibutyl ether 112.45
    2,6-dimethyl-4-heptanol 56.55
    DEF 93.09
    dimethyl isosorbide 208.42
    tetrachloroethylene 356.01
    eugenol 91.02
    triacetin 124.52
    span 80 77.83
    1,4-butanediol 20.49
    1,1-dichloroethane 334.8
    2-methyl-1-pentanol 50.19
    methyl formate 34.13
    2-methyl-1-butanol 35.16
    n-decane 15.96
    butyronitrile 88.1
    3,7-dimethyl-1-octanol 42.49
    1-chlorooctane 49.07
    1-chlorotetradecane 24.78
    n-nonane 15.69
    undecane 12.1
    tert-butylcyclohexane 31.09
    cyclooctane 27.72
    cyclopentanol 40.34
    tetrahydropyran 319.06
    tert-amyl methyl ether 72.14
    2,5,8-trioxanonane 254.35
    1-hexene 86.9
    2-isopropoxyethanol 79.56
    2,2,2-trifluoroethanol 28.14
    methyl butyrate 141.19

    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