Benzaldehyde, 4-(phenylmethoxy)-

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  • Identifiers

    CAS number
    4397-53-9

    Molecular formula
    C14H12O2

    SMILES
    C1=CC=C(C=C1)COC2=CC=C(C=C2)C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 80.1%
    Floral 76.86%
    Balsamic 57.6%
    Spicy 52.8%
    Anisic 50.07%
    Cherry 49.73%
    Powdery 47.11%
    Cinnamon 43.46%
    Herbal 42.11%
    Almond 41.85%

     

    Flavor
    Sweet 88.28%
    Cherry 67.17%
    Almond 64.77%
    Balsam 63.78%
    Floral 63.05%
    Bitter 53.01%
    Vanilla 52.17%
    Powdery 50.83%
    Hawthorn 48.14%
    Anise 47.61%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.14 (neutral)

    Molecular weight
    212.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    359°C

    Flash point

    • 158.83 ˚C est.

  • Synonyms

    • 4-Benzyloxybenzaldehyde
    • 4397-53-9
    • 4-(Benzyloxy)benzaldehyde
    • Benzaldehyde, 4-(phenylmethoxy)-
    • Benzaldehyde, p-(benzyloxy)-
    • p-(Benzyloxy)benzaldehyde
    • NSC 28298
    • NSC 131669
    • EINECS 224-527-2
    • 4-(phenylmethoxybenzaldehyde
    • DTXSID5063441
    • RefChem:561363
    • DTXCID7040287
    • Benzaldehyde, p-(benzyloxy)-(8CI)
    • 224-527-2
    • 4-phenylmethoxybenzaldehyde
    • 4-(Phenylmethoxy)benzaldehyde
    • p-benzyloxybenzaldehyde
    • MFCD00003387
    • 151896-98-9
    • 4-Benzyloxy-benzaldehyde
    • 4-(Benzyloxy)benzaldehyde; 4-(Phenylmethoxy)benzaldehyde; NSC 131669; NSC 28298; p-(Benzyloxy)benzaldehyde;
    • 4-benzoxybenzaldehyde
    • 4benzyloxybenzaldehyde
    • Ibuprofen Impurity 32
    • p-Benzyloxy-benzaldehyde
    • Safinamide Impurity 20
    • 4-benzyloxy benzaldehyde
    • CBMicro_014912
    • 4-(benzyloxy)-benzaldehyde
    • Benzyl 4-formylphenyl ether
    • Cambridge id 5570821
    • CHEMBL58010
    • SCHEMBL158270
    • 4-formylphenoxy phenyl methane
    • 4-(phenylmethoxy)-benzaldehyde
    • orb3022663
    • SCHEMBL3399463
    • T6NE7S92Z9
    • SCHEMBL13278343
    • SCHEMBL25223579
    • 4-(Benzyloxy)benzaldehyde, 97%
    • NSC28298
    • BBL023401
    • EBC-13929
    • MFCD01632880
    • NSC-28298
    • NSC131669
    • SBB000526
    • STK198754
    • AKOS000119543
    • AC-7256
    • CS-W015009
    • FB18481
    • NSC-131669
    • NCGC00321313-01
    • BP-12836
    • SY005407
    • BIM-0014979.P001
    • DB-013294
    • B1325
    • NS00031380
    • ST45162870
    • EN300-15512
    • AB00306450-03
    • 12P-070
    • F018216
    • Q63396607
    • Z26334962
    • F1997-0010
    • 4-(Benzyloxy)benzaldehyde, Vetec(TM) reagent grade, 97%
    • 5570-82-1
    • StratoSpheres(TM) PL-CHO (Benzaldehyde) resin, 50-100 mesh, extent of labeling: 3.0 mmol/g loading, 1 % cross-linked
    • 4397-53-9

  • Applications

    Benzaldehyde, 4-(phenylmethoxy)- is mainly used as an organic synthesis intermediate. It serves as a protected phenol building block (the benzyloxy group) that enables selective functionalization in multi-step routes and can be deprotected to access hydroxybenzaldehyde derivatives. It may be used as a precursor in pharmaceutical and agrochemical manufacturing; it can also act as a starting point in fragrance and flavor chemistry for related benzaldehyde derivatives. Additionally, it is used as a precursor in dye/pigment synthesis and polymer/coatings applications, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 39.88
    methanol 54.7
    isopropanol 17.03
    water 0.07
    ethyl acetate 202.86
    n-propanol 29.2
    acetone 2.04
    n-butanol 25.65
    acetonitrile 119.86
    DMF 1.87
    toluene 51.63
    isobutanol 12.2
    1,4-dioxane 173.75
    methyl acetate 77.25
    THF 82.65
    2-butanone 25.56
    n-pentanol 30.56
    sec-butanol 26.36
    n-hexane 2.24
    ethylene glycol 12.3
    NMP 2.25
    cyclohexane 4.2
    DMSO 34.6
    n-butyl acetate 61.94
    n-octanol 8.73
    chloroform 279.96
    n-propyl acetate 69.36
    acetic acid 63.53
    dichloromethane 295.33
    cyclohexanone 19.56
    propylene glycol 20.46
    isopropyl acetate 68.55
    DMAc 15.15
    2-ethoxyethanol 102.06
    isopentanol 23.47
    n-heptane 3.9
    ethyl formate 39.42
    1,2-dichloroethane 192.72
    n-hexanol 24.07
    2-methoxyethanol 86.4
    isobutyl acetate 41.7
    tetrachloromethane 10.49
    n-pentyl acetate 23.19
    transcutol 710.19
    n-heptanol 10.29
    ethylbenzene 36.32
    MIBK 31.04
    2-propoxyethanol 68.94
    tert-butanol 22.78
    MTBE 31.03
    2-butoxyethanol 35.47
    propionic acid 41.57
    o-xylene 27.04
    formic acid 28.24
    diethyl ether 85.28
    m-xylene 25.57
    p-xylene 26.58
    chlorobenzene 48.92
    dimethyl carbonate 24.44
    n-octane 1.6
    formamide 59.24
    cyclopentanone 11.62
    2-pentanone 18.36
    anisole 101.99
    cyclopentyl methyl ether 27.07
    gamma-butyrolactone 34.46
    1-methoxy-2-propanol 65.38
    pyridine 150.17
    3-pentanone 23.9
    furfural 75.72
    n-dodecane 1.58
    diethylene glycol 61.7
    diisopropyl ether 19.44
    tert-amyl alcohol 28.72
    acetylacetone 46.46
    n-hexadecane 1.84
    acetophenone 62.03
    methyl propionate 54.99
    isopentyl acetate 62.19
    trichloroethylene 320.64
    n-nonanol 10.28
    cyclohexanol 18.29
    benzyl alcohol 48.96
    2-ethylhexanol 21.84
    isooctanol 10.82
    dipropyl ether 51.01
    1,2-dichlorobenzene 53.56
    ethyl lactate 32.62
    propylene carbonate 39.8
    n-methylformamide 10.08
    2-pentanol 22.98
    n-pentane 1.47
    1-propoxy-2-propanol 56.43
    1-methoxy-2-propyl acetate 82.36
    2-(2-methoxypropoxy) propanol 84.34
    mesitylene 16.08
    ε-caprolactone 40.76
    p-cymene 19.93
    epichlorohydrin 157.1
    1,1,1-trichloroethane 81.21
    2-aminoethanol 28.01
    morpholine-4-carbaldehyde 31.43
    sulfolane 26.61
    2,2,4-trimethylpentane 2.46
    2-methyltetrahydrofuran 42.08
    n-hexyl acetate 29.63
    isooctane 2.09
    2-(2-butoxyethoxy)ethanol 112.01
    sec-butyl acetate 58.53
    tert-butyl acetate 61.92
    decalin 5.28
    glycerin 35.03
    diglyme 254.88
    acrylic acid 40.74
    isopropyl myristate 21.36
    n-butyric acid 61.74
    acetyl acetate 96.4
    di(2-ethylhexyl) phthalate 19.25
    ethyl propionate 73.09
    nitromethane 88.79
    1,2-diethoxyethane 194.45
    benzonitrile 55.84
    trioctyl phosphate 10.32
    1-bromopropane 65.39
    gamma-valerolactone 34.52
    n-decanol 8.54
    triethyl phosphate 37.23
    4-methyl-2-pentanol 17.97
    propionitrile 71.87
    vinylene carbonate 50.41
    1,1,2-trichlorotrifluoroethane 94.64
    DMS 51.14
    cumene 21.83
    2-octanol 6.44
    2-hexanone 40.62
    octyl acetate 19.87
    limonene 21.6
    1,2-dimethoxyethane 142.76
    ethyl orthosilicate 37.19
    tributyl phosphate 18.15
    diacetone alcohol 49.94
    N,N-dimethylaniline 42.38
    acrylonitrile 87.38
    aniline 44.11
    1,3-propanediol 42.74
    bromobenzene 60.09
    dibromomethane 164.27
    1,1,2,2-tetrachloroethane 215.86
    2-methyl-cyclohexyl acetate 50.84
    tetrabutyl urea 19.66
    diisobutyl methanol 21.58
    2-phenylethanol 44.48
    styrene 47.12
    dioctyl adipate 42.36
    dimethyl sulfate 23.65
    ethyl butyrate 75.04
    methyl lactate 27.01
    butyl lactate 23.77
    diethyl carbonate 63.12
    propanediol butyl ether 31.9
    triethyl orthoformate 58.75
    p-tert-butyltoluene 17.58
    methyl 4-tert-butylbenzoate 50.99
    morpholine 128.6
    tert-butylamine 13.12
    n-dodecanol 7.58
    dimethoxymethane 30.22
    ethylene carbonate 38.29
    cyrene 44.11
    2-ethoxyethyl acetate 67.4
    2-ethylhexyl acetate 48.45
    1,2,4-trichlorobenzene 63.0
    4-methylpyridine 46.66
    dibutyl ether 36.6
    2,6-dimethyl-4-heptanol 21.58
    DEF 21.16
    dimethyl isosorbide 133.1
    tetrachloroethylene 120.2
    eugenol 52.24
    triacetin 69.55
    span 80 41.41
    1,4-butanediol 18.59
    1,1-dichloroethane 82.66
    2-methyl-1-pentanol 32.89
    methyl formate 9.26
    2-methyl-1-butanol 20.37
    n-decane 2.31
    butyronitrile 53.44
    3,7-dimethyl-1-octanol 18.07
    1-chlorooctane 10.23
    1-chlorotetradecane 5.66
    n-nonane 1.88
    undecane 1.83
    tert-butylcyclohexane 4.96
    cyclooctane 2.24
    cyclopentanol 9.12
    tetrahydropyran 74.34
    tert-amyl methyl ether 33.04
    2,5,8-trioxanonane 181.04
    1-hexene 15.61
    2-isopropoxyethanol 62.1
    2,2,2-trifluoroethanol 19.74
    methyl butyrate 66.67

    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