4-Biphenylaldehyde

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    3218-36-8

    Molecular formula
    C13H10O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 81.62%
    Almond 65.39%
    Cherry 62.18%
    Bitter 61.58%
    Floral 56.81%
    Fruity 53.9%
    Balsamic 52.55%
    Powdery 49.65%
    Cinnamon 46.19%
    Spicy 44.62%

     

    Flavor
    Sweet 70.0%
    Bitter 57.46%
    Cherry 53.94%
    Balsam 49.93%
    Almond 47.46%
    Anise 37.44%
    Honey 35.7%
    Floral 34.7%
    Phenolic 34.49%
    Rose 33.36%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    6.93 (neutral)

    Molecular weight
    182.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    327°C

    Flash point

    • 151.14 ˚C est.

  • Synonyms

    • 4-Phenylbenzaldehyde
    • 3218-36-8
    • 4-Biphenylcarboxaldehyde
    • 4-Biphenylaldehyde
    • Biphenyl-4-carboxaldehyde
    • [1,1'-Biphenyl]-4-carbaldehyde
    • p-Phenylbenzaldehyde
    • 4-Formylbiphenyl
    • 4-Biphenylylcarboxaldehyde
    • p-Biphenylylaldehyde
    • [1,1'-Biphenyl]-4-carboxaldehyde
    • p-Biphenylaldehyde
    • p-Biphenylcarboxaldehyde
    • Biphenyl-4-carbaldehyde
    • (1,1'-Biphenyl)-4-carboxaldehyde
    • MFCD00006947
    • NSC 46066
    • EINECS 221-742-3
    • BRN 0606693
    • 4-biphenylcarbaldehyde
    • 4-FORMYL-BIPHENYL
    • NSC-46066
    • 4-formyl-1,1'-biphenyl
    • 883W14Y55S
    • DTXSID9073961
    • EC 221-742-3
    • UNII-883W14Y55S
    • 4-biphenylmethanal
    • 4-biphenyl aldehyde
    • p-Phenyl-benzaldehyd
    • 4'-biphenyl aldehyde
    • 4-phenyl benzaldehyde
    • Benzaldehyde, p-phenyl-
    • 4-Biphenylcarboxyaldehyde
    • 4-biphenyl carboxaldehyde
    • 4-biphenyl-carboxaldehyde
    • biphenyl 4-carboxaldehyde
    • (1,1'-Biphenyl)-4-carboxaldehyde (9CI)
    • SCHEMBL6032
    • CHEMBL341478
    • DTXCID5038464
    • Biphenyl-4-carboxaldehyde, 99%
    • NSC46066
    • BBL023267
    • STL284488
    • [1,1'-Biphenyl]-4-carbaldehyde #
    • AKOS000119567
    • AS-2124
    • CS-W004664
    • FB36816
    • AC-13454
    • SY009287
    • B0242
    • NS00008757
    • EN300-20145
    • AB-131/40897195
    • Q27269882
    • F2158-0366
    • Z104477048

  • Applications

    4-Biphenylaldehyde (CAS 3218-36-8) is a versatile aromatic building block for organic synthesis and materials science: its aldehyde handle readily forms imines/Schiff bases, oximes and hydrazones to access metal–ligand scaffolds, organocatalysts and recognition motifs, and it participates in Wittig, Knoevenagel, aldol and reductive amination sequences to extend conjugation, tune donor–acceptor balance and append functional groups, enabling its use as an intermediate toward dyes, luminophores, chromophores for OLED/OPV, UV absorbers and bioactive biphenyl derivatives; through oxidation or reduction it affords 4-biphenylcarboxylic acid, alcohols or nitriles (4-cyanobiphenyl) as precursors to liquid crystals and polymers; in materials work it is employed to install Schiff linkages on surfaces, to end-cap/fix imine polymers and to tailor polymer–support interfaces for sensors and heterogeneous catalysis, as well as a docking point for cross-coupling to grow rigid, thermally robust π-architectures.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 43.03
    methanol 36.09
    isopropanol 25.86
    water 0.13
    ethyl acetate 334.92
    n-propanol 39.73
    acetone 275.83
    n-butanol 30.92
    acetonitrile 201.36
    DMF 335.86
    toluene 137.37
    isobutanol 24.44
    1,4-dioxane 381.09
    methyl acetate 289.48
    THF 402.75
    2-butanone 318.59
    n-pentanol 36.73
    sec-butanol 31.07
    n-hexane 3.79
    ethylene glycol 21.01
    NMP 280.94
    cyclohexane 3.69
    DMSO 479.9
    n-butyl acetate 205.98
    n-octanol 18.01
    chloroform 408.34
    n-propyl acetate 235.63
    acetic acid 132.97
    dichloromethane 532.9
    cyclohexanone 325.4
    propylene glycol 25.18
    isopropyl acetate 192.72
    DMAc 372.0
    2-ethoxyethanol 142.03
    isopentanol 40.13
    n-heptane 4.35
    ethyl formate 125.79
    1,2-dichloroethane 691.58
    n-hexanol 40.52
    2-methoxyethanol 173.98
    isobutyl acetate 133.85
    tetrachloromethane 32.29
    n-pentyl acetate 90.07
    transcutol 1564.12
    n-heptanol 21.43
    ethylbenzene 99.32
    MIBK 147.28
    2-propoxyethanol 135.05
    tert-butanol 49.55
    MTBE 98.19
    2-butoxyethanol 82.3
    propionic acid 113.89
    o-xylene 76.99
    formic acid 45.53
    diethyl ether 146.85
    m-xylene 71.09
    p-xylene 89.23
    chlorobenzene 188.51
    dimethyl carbonate 169.36
    n-octane 1.82
    formamide 210.48
    cyclopentanone 452.27
    2-pentanone 212.39
    anisole 323.41
    cyclopentyl methyl ether 153.33
    gamma-butyrolactone 566.94
    1-methoxy-2-propanol 128.22
    pyridine 498.09
    3-pentanone 201.95
    furfural 510.79
    n-dodecane 1.68
    diethylene glycol 104.69
    diisopropyl ether 49.87
    tert-amyl alcohol 48.55
    acetylacetone 398.37
    n-hexadecane 2.06
    acetophenone 283.52
    methyl propionate 258.92
    isopentyl acetate 189.44
    trichloroethylene 1269.78
    n-nonanol 19.85
    cyclohexanol 36.27
    benzyl alcohol 122.27
    2-ethylhexanol 38.65
    isooctanol 22.86
    dipropyl ether 95.79
    1,2-dichlorobenzene 205.64
    ethyl lactate 91.21
    propylene carbonate 278.29
    n-methylformamide 191.55
    2-pentanol 28.19
    n-pentane 1.67
    1-propoxy-2-propanol 109.1
    1-methoxy-2-propyl acetate 272.65
    2-(2-methoxypropoxy) propanol 168.79
    mesitylene 45.76
    ε-caprolactone 308.96
    p-cymene 42.19
    epichlorohydrin 850.57
    1,1,1-trichloroethane 313.49
    2-aminoethanol 40.14
    morpholine-4-carbaldehyde 411.85
    sulfolane 627.94
    2,2,4-trimethylpentane 3.85
    2-methyltetrahydrofuran 235.9
    n-hexyl acetate 115.46
    isooctane 3.57
    2-(2-butoxyethoxy)ethanol 221.68
    sec-butyl acetate 175.59
    tert-butyl acetate 224.13
    decalin 10.56
    glycerin 57.0
    diglyme 583.44
    acrylic acid 131.5
    isopropyl myristate 52.25
    n-butyric acid 127.23
    acetyl acetate 223.84
    di(2-ethylhexyl) phthalate 46.17
    ethyl propionate 238.59
    nitromethane 581.81
    1,2-diethoxyethane 375.09
    benzonitrile 186.86
    trioctyl phosphate 26.07
    1-bromopropane 131.67
    gamma-valerolactone 550.61
    n-decanol 15.7
    triethyl phosphate 91.86
    4-methyl-2-pentanol 28.39
    propionitrile 144.34
    vinylene carbonate 270.15
    1,1,2-trichlorotrifluoroethane 435.65
    DMS 248.45
    cumene 57.85
    2-octanol 13.59
    2-hexanone 205.58
    octyl acetate 54.2
    limonene 47.95
    1,2-dimethoxyethane 385.54
    ethyl orthosilicate 82.41
    tributyl phosphate 45.96
    diacetone alcohol 191.22
    N,N-dimethylaniline 148.67
    acrylonitrile 248.08
    aniline 144.18
    1,3-propanediol 55.6
    bromobenzene 208.42
    dibromomethane 259.0
    1,1,2,2-tetrachloroethane 799.24
    2-methyl-cyclohexyl acetate 127.7
    tetrabutyl urea 58.73
    diisobutyl methanol 36.01
    2-phenylethanol 103.04
    styrene 138.3
    dioctyl adipate 96.97
    dimethyl sulfate 284.1
    ethyl butyrate 192.73
    methyl lactate 97.92
    butyl lactate 75.81
    diethyl carbonate 149.64
    propanediol butyl ether 76.63
    triethyl orthoformate 124.98
    p-tert-butyltoluene 39.68
    methyl 4-tert-butylbenzoate 143.4
    morpholine 339.62
    tert-butylamine 28.55
    n-dodecanol 12.72
    dimethoxymethane 270.71
    ethylene carbonate 190.27
    cyrene 137.32
    2-ethoxyethyl acetate 218.26
    2-ethylhexyl acetate 152.95
    1,2,4-trichlorobenzene 284.8
    4-methylpyridine 354.41
    dibutyl ether 79.97
    2,6-dimethyl-4-heptanol 36.01
    DEF 256.16
    dimethyl isosorbide 345.24
    tetrachloroethylene 422.17
    eugenol 138.58
    triacetin 193.18
    span 80 91.07
    1,4-butanediol 25.46
    1,1-dichloroethane 269.57
    2-methyl-1-pentanol 48.69
    methyl formate 156.17
    2-methyl-1-butanol 33.8
    n-decane 2.74
    butyronitrile 95.37
    3,7-dimethyl-1-octanol 34.01
    1-chlorooctane 22.7
    1-chlorotetradecane 9.65
    n-nonane 2.32
    undecane 2.1
    tert-butylcyclohexane 10.54
    cyclooctane 2.2
    cyclopentanol 41.59
    tetrahydropyran 201.63
    tert-amyl methyl ether 82.88
    2,5,8-trioxanonane 349.49
    1-hexene 30.14
    2-isopropoxyethanol 112.97
    2,2,2-trifluoroethanol 73.92
    methyl butyrate 265.83

    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

Botanical

Name CAS Botanical Proportion
Ginger (Japan) 2 8007-08-7 Zingiber officinale Roscoe, fam. Zingiberaceae 0.01%