p-Benzyloxypropiophenone

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  • Identifiers

    CAS number
    4495-66-3

    Molecular formula
    C16H16O2

    SMILES
    CCC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2

    Safety labels

  • Odor profile

    Fragrance
    Floral 73.19%
    Sweet 55.96%
    Fruity 52.45%
    Balsamic 47.24%
    Powdery 39.95%
    Anisic 38.04%
    Vanilla 36.73%
    Cherry 34.06%
    Aromatic 32.22%
    Hawthorn 30.4%

     

    Flavor
    Sweet 69.85%
    Balsam 67.61%
    Floral 53.84%
    Powdery 40.88%
    Cherry 40.48%
    Balsamic 39.7%
    Rose 39.47%
    Almond 39.17%
    Honey 37.56%
    Fruity 36.92%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.53 (neutral)

    Molecular weight
    240.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    360°C

    Flash point

    • 158.52 ˚C est.

  • Synonyms

    • p-Benzyloxypropiophenone
    • EINECS 224-788-2
    • DTXSID70196343
    • NSC 41188
    • RefChem:857997
    • DTXCID80118834
    • 224-788-2
    • 4-Benzyloxypropiophenone
    • 4495-66-3
    • 1-(4-(benzyloxy)phenyl)propan-1-one
    • 1-[4-(Benzyloxy)phenyl]propan-1-one
    • 4'-Benzyloxypropiophenone
    • 4-Benzyloxy-propiophenone
    • 1-(4-phenylmethoxyphenyl)propan-1-one
    • 1-[4-(Benzyloxy)phenyl]-1-propanone
    • 1-Propanone, 1-[4-(phenylmethoxy)phenyl]-
    • 4'-(benzyloxy)propiophenone
    • MFCD00009311
    • 1-[4-(Phenylmethoxy)phenyl]-1-propanone
    • 1-(4-benzyloxyphenyl)propan-1-one
    • 4-benzyloxy propiophenone
    • NSC-41188
    • 4 inverted exclamation mark -(Benzyloxy)propiophenone
    • 1-[4-(phenylmethoxy)phenyl]propan-1-one
    • 1-(4-Benzyloxyphenyl)propan-1-one; NSC 41188; p-Benzyloxypropiophenone
    • NSC41188
    • Metaraminol Impurity 74
    • p-(benzyloxy)propiophenone
    • 4'-(benzyloxy)-Propiophenone
    • SCHEMBL102983
    • 3AE8SS5B76
    • Propiophenone, 4'-(benzyloxy)-
    • STR06699
    • 1-(4-benzyloxyphenyl)propane-1-one
    • SBB067750
    • 1-(4-Benzyloxy)phenyl)propan-1-one
    • AKOS000202212
    • CS-W012805
    • FB67408
    • 1-[4-(Benzyloxy)phenyl]-1-propanone #
    • AC-12380
    • SY058282
    • DB-051256
    • NS00031467
    • ST50308468
    • I11696
    • A826694
    • F099173
    • 4495-66-3

  • Applications

    p-Benzyloxypropiophenone is primarily used as an organic synthesis intermediate and building block in fragrance- and pharmaceutical-related chemistries. In perfumery and cosmetics, it often serves as a precursor to more complex aryl ketones and aroma compounds after selective transformations. It also functions as a benzyl-protected phenol intermediate, enabling multi-step routes to substituted propiophenones in organic synthesis. In pharmaceutical research, it is commonly evaluated as a synthetic intermediate for aryl ketone targets. Additionally, it can act as a starting material for polymer and materials science investigations, providing an aryl ketone scaffold for advanced coatings or specialty polymers. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 120.28
    methanol 167.81
    isopropanol 62.33
    water 0.4
    ethyl acetate 621.48
    n-propanol 102.74
    acetone 262.31
    n-butanol 108.45
    acetonitrile 507.35
    DMF 211.02
    toluene 256.77
    isobutanol 64.21
    1,4-dioxane 602.27
    methyl acetate 401.15
    THF 505.88
    2-butanone 352.04
    n-pentanol 93.05
    sec-butanol 84.9
    n-hexane 14.66
    ethylene glycol 25.29
    NMP 155.9
    cyclohexane 26.76
    DMSO 463.76
    n-butyl acetate 323.12
    n-octanol 31.61
    chloroform 1973.1
    n-propyl acetate 319.92
    acetic acid 279.52
    dichloromethane 2541.46
    cyclohexanone 432.43
    propylene glycol 35.18
    isopropyl acetate 276.82
    DMAc 408.07
    2-ethoxyethanol 244.08
    isopentanol 111.12
    n-heptane 9.32
    ethyl formate 223.55
    1,2-dichloroethane 1568.16
    n-hexanol 73.47
    2-methoxyethanol 268.16
    isobutyl acetate 187.03
    tetrachloromethane 110.74
    n-pentyl acetate 127.37
    transcutol 1813.99
    n-heptanol 34.95
    ethylbenzene 135.79
    MIBK 184.66
    2-propoxyethanol 190.7
    tert-butanol 109.0
    MTBE 199.33
    2-butoxyethanol 114.51
    propionic acid 162.68
    o-xylene 126.42
    formic acid 105.25
    diethyl ether 425.11
    m-xylene 112.13
    p-xylene 140.75
    chlorobenzene 432.7
    dimethyl carbonate 201.24
    n-octane 3.94
    formamide 281.87
    cyclopentanone 370.16
    2-pentanone 288.0
    anisole 380.35
    cyclopentyl methyl ether 202.53
    gamma-butyrolactone 508.2
    1-methoxy-2-propanol 168.8
    pyridine 654.37
    3-pentanone 285.21
    furfural 578.98
    n-dodecane 3.79
    diethylene glycol 144.01
    diisopropyl ether 80.06
    tert-amyl alcohol 117.35
    acetylacetone 471.1
    n-hexadecane 4.63
    acetophenone 316.11
    methyl propionate 319.1
    isopentyl acetate 274.86
    trichloroethylene 2473.71
    n-nonanol 33.93
    cyclohexanol 98.21
    benzyl alcohol 186.84
    2-ethylhexanol 63.86
    isooctanol 36.62
    dipropyl ether 147.56
    1,2-dichlorobenzene 417.29
    ethyl lactate 106.95
    propylene carbonate 316.63
    n-methylformamide 172.02
    2-pentanol 71.68
    n-pentane 8.58
    1-propoxy-2-propanol 140.47
    1-methoxy-2-propyl acetate 295.48
    2-(2-methoxypropoxy) propanol 199.28
    mesitylene 69.28
    ε-caprolactone 380.48
    p-cymene 60.28
    epichlorohydrin 1014.06
    1,1,1-trichloroethane 715.57
    2-aminoethanol 59.9
    morpholine-4-carbaldehyde 373.26
    sulfolane 446.95
    2,2,4-trimethylpentane 10.74
    2-methyltetrahydrofuran 283.62
    n-hexyl acetate 154.58
    isooctane 7.47
    2-(2-butoxyethoxy)ethanol 269.63
    sec-butyl acetate 219.46
    tert-butyl acetate 262.67
    decalin 22.78
    glycerin 68.77
    diglyme 712.98
    acrylic acid 166.97
    isopropyl myristate 71.06
    n-butyric acid 239.44
    acetyl acetate 420.02
    di(2-ethylhexyl) phthalate 67.5
    ethyl propionate 292.07
    nitromethane 736.07
    1,2-diethoxyethane 515.9
    benzonitrile 299.37
    trioctyl phosphate 39.25
    1-bromopropane 462.54
    gamma-valerolactone 490.46
    n-decanol 25.55
    triethyl phosphate 134.23
    4-methyl-2-pentanol 52.64
    propionitrile 298.04
    vinylene carbonate 351.4
    1,1,2-trichlorotrifluoroethane 465.72
    DMS 262.35
    cumene 76.27
    2-octanol 23.35
    2-hexanone 244.06
    octyl acetate 78.33
    limonene 75.12
    1,2-dimethoxyethane 523.31
    ethyl orthosilicate 126.28
    tributyl phosphate 71.34
    diacetone alcohol 197.72
    N,N-dimethylaniline 174.01
    acrylonitrile 441.7
    aniline 215.51
    1,3-propanediol 104.08
    bromobenzene 527.27
    dibromomethane 1312.23
    1,1,2,2-tetrachloroethane 1580.43
    2-methyl-cyclohexyl acetate 174.43
    tetrabutyl urea 82.6
    diisobutyl methanol 49.44
    2-phenylethanol 150.58
    styrene 209.15
    dioctyl adipate 129.59
    dimethyl sulfate 262.54
    ethyl butyrate 275.64
    methyl lactate 108.39
    butyl lactate 95.16
    diethyl carbonate 216.0
    propanediol butyl ether 98.36
    triethyl orthoformate 186.89
    p-tert-butyltoluene 53.95
    methyl 4-tert-butylbenzoate 175.3
    morpholine 444.89
    tert-butylamine 65.7
    n-dodecanol 21.23
    dimethoxymethane 335.5
    ethylene carbonate 291.16
    cyrene 163.06
    2-ethoxyethyl acetate 269.75
    2-ethylhexyl acetate 217.52
    1,2,4-trichlorobenzene 439.17
    4-methylpyridine 427.71
    dibutyl ether 119.39
    2,6-dimethyl-4-heptanol 49.44
    DEF 322.9
    dimethyl isosorbide 355.93
    tetrachloroethylene 899.77
    eugenol 169.96
    triacetin 250.96
    span 80 112.68
    1,4-butanediol 49.79
    1,1-dichloroethane 872.61
    2-methyl-1-pentanol 111.32
    methyl formate 161.2
    2-methyl-1-butanol 101.78
    n-decane 6.12
    butyronitrile 242.37
    3,7-dimethyl-1-octanol 51.64
    1-chlorooctane 38.36
    1-chlorotetradecane 16.86
    n-nonane 5.25
    undecane 4.63
    tert-butylcyclohexane 18.93
    cyclooctane 9.23
    cyclopentanol 64.21
    tetrahydropyran 381.44
    tert-amyl methyl ether 148.3
    2,5,8-trioxanonane 432.91
    1-hexene 78.96
    2-isopropoxyethanol 167.97
    2,2,2-trifluoroethanol 112.99
    methyl butyrate 359.57

    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