3-Phenylbenzaldehyde

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1204-60-0

    Molecular formula
    C13H10O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 81.49%
    Almond 62.59%
    Cherry 61.52%
    Floral 61.46%
    Bitter 58.78%
    Fruity 57.23%
    Balsamic 54.45%
    Powdery 50.0%
    Cinnamon 46.65%
    Spicy 44.75%

     

    Flavor
    Sweet 66.74%
    Cherry 53.02%
    Bitter 52.96%
    Balsam 50.75%
    Almond 44.53%
    Phenolic 34.85%
    Anise 34.09%
    Honey 33.58%
    Rose 31.4%
    Cinnamon 31.39%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.09 (neutral)

    Molecular weight
    182.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    331°C

    Flash point

    • 152.48 ˚C est.

  • Synonyms

    • 3-Phenylbenzaldehyde
    • 1204-60-0
    • [1,1'-biphenyl]-3-carbaldehyde
    • Biphenyl-3-carbaldehyde
    • BIPHENYL-3-CARBOXALDEHYDE
    • 3-Difenilaldeide
    • 3-Biphenyl carboxaldehyde
    • 3-Difenilaldeide [Italian]
    • 3-biphenylcarboxaldehyde
    • 3-FORMYLBIPHENYL
    • CCRIS 3164
    • (1,1'-Biphenyl)-3-carboxaldehyde
    • 6NCQ7DH7HK
    • MFCD01740432
    • BRN 2435839
    • 1,1'-biphenyl-3-carbaldehyde
    • [1,1'-BIPHENYL]-3-CARBOXALDEHYDE
    • DTXSID70152848
    • 4-07-00-01388 (Beilstein Handbook Reference)
    • 3-Phenyl benzaldehyde
    • 3-phenyl-benzaldehyde
    • 3-(Phenyl)benzaldehyde
    • 3-Biphenylcarboxaldehyde (6CI,7CI,8CI)
    • UNII-6NCQ7DH7HK
    • SCHEMBL97618
    • CHEMBL125657
    • DTXCID3075339
    • Biphenyl-3-carboxaldehyde, 96%
    • KFKSIUOALVIACE-UHFFFAOYSA-N
    • AKOS000124601
    • AB09890
    • PS-8525
    • SY004293
    • DB-041557
    • B4186
    • CS-0128849
    • EN300-50981
    • A804511
    • F1371-0199
    • Z363993468

  • Applications

    3-Phenylbenzaldehyde (CAS 1204-60-0) is an aromatic biphenyl aldehyde widely used as a versatile building block in organic synthesis: a pharmaceutical intermediate and discovery scaffold (formation of Schiff bases/imines, oximes, and hydrazones; aldol/Knoevenagel and Wittig reactions to access chalcones and stilbenes; reductive amination and Grignard additions to expand the carbon framework), a precursor to fragrance ingredients with woody–floral notes and to flavor intermediates, a starting point for agrochemicals and dyes/pigments, and a flexible handle for selective transformations (reduction to alcohols, oxidation to biphenyl-3-carboxylic acid) to build derivative libraries and tune electronic/steric properties; it also serves as a functional unit in advanced materials (C=N dynamic covalent networks and imine ligands for homogeneous catalysis; stilbene/biphenyl derivatives for optical brighteners, liquid crystals, and optoelectronic devices such as OLEDs/OPVs/OFETs), as well as an analytical reference/impurity marker for LC/GC method development and characterization.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 130.01
    methanol 97.58
    isopropanol 73.58
    water 0.14
    ethyl acetate 912.03
    n-propanol 113.92
    acetone 923.95
    n-butanol 80.34
    acetonitrile 594.99
    DMF 1125.37
    toluene 437.78
    isobutanol 67.66
    1,4-dioxane 812.92
    methyl acetate 803.74
    THF 987.26
    2-butanone 866.13
    n-pentanol 74.4
    sec-butanol 79.89
    n-hexane 6.98
    ethylene glycol 51.61
    NMP 776.0
    cyclohexane 9.64
    DMSO 1165.01
    n-butyl acetate 397.02
    n-octanol 43.4
    chloroform 1031.07
    n-propyl acetate 432.91
    acetic acid 258.0
    dichloromethane 1558.63
    cyclohexanone 859.51
    propylene glycol 61.06
    isopropyl acetate 402.51
    DMAc 832.73
    2-ethoxyethanol 248.76
    isopentanol 88.79
    n-heptane 9.26
    ethyl formate 363.96
    1,2-dichloroethane 1768.97
    n-hexanol 86.1
    2-methoxyethanol 404.38
    isobutyl acetate 226.97
    tetrachloromethane 69.45
    n-pentyl acetate 170.45
    transcutol 2005.94
    n-heptanol 43.91
    ethylbenzene 203.67
    MIBK 295.17
    2-propoxyethanol 258.31
    tert-butanol 103.42
    MTBE 194.48
    2-butoxyethanol 145.29
    propionic acid 265.98
    o-xylene 185.34
    formic acid 78.12
    diethyl ether 377.23
    m-xylene 179.9
    p-xylene 181.9
    chlorobenzene 508.02
    dimethyl carbonate 405.73
    n-octane 4.13
    formamide 413.86
    cyclopentanone 1254.36
    2-pentanone 605.64
    anisole 576.82
    cyclopentyl methyl ether 408.67
    gamma-butyrolactone 1490.85
    1-methoxy-2-propanol 277.3
    pyridine 1344.55
    3-pentanone 532.78
    furfural 1093.59
    n-dodecane 3.67
    diethylene glycol 178.01
    diisopropyl ether 90.14
    tert-amyl alcohol 95.2
    acetylacetone 872.32
    n-hexadecane 4.54
    acetophenone 504.61
    methyl propionate 761.55
    isopentyl acetate 313.13
    trichloroethylene 2977.96
    n-nonanol 42.78
    cyclohexanol 94.03
    benzyl alcohol 252.51
    2-ethylhexanol 74.63
    isooctanol 43.85
    dipropyl ether 178.82
    1,2-dichlorobenzene 435.57
    ethyl lactate 141.2
    propylene carbonate 621.84
    n-methylformamide 608.46
    2-pentanol 67.09
    n-pentane 4.0
    1-propoxy-2-propanol 191.75
    1-methoxy-2-propyl acetate 423.71
    2-(2-methoxypropoxy) propanol 206.51
    mesitylene 90.1
    ε-caprolactone 723.62
    p-cymene 71.52
    epichlorohydrin 2182.54
    1,1,1-trichloroethane 727.69
    2-aminoethanol 93.56
    morpholine-4-carbaldehyde 838.46
    sulfolane 1366.1
    2,2,4-trimethylpentane 6.16
    2-methyltetrahydrofuran 632.03
    n-hexyl acetate 235.59
    isooctane 5.84
    2-(2-butoxyethoxy)ethanol 301.55
    sec-butyl acetate 284.06
    tert-butyl acetate 348.98
    decalin 19.58
    glycerin 106.75
    diglyme 846.38
    acrylic acid 287.67
    isopropyl myristate 82.32
    n-butyric acid 295.11
    acetyl acetate 441.98
    di(2-ethylhexyl) phthalate 69.41
    ethyl propionate 444.82
    nitromethane 1310.15
    1,2-diethoxyethane 518.9
    benzonitrile 443.48
    trioctyl phosphate 42.24
    1-bromopropane 372.02
    gamma-valerolactone 1267.96
    n-decanol 32.12
    triethyl phosphate 123.37
    4-methyl-2-pentanol 52.08
    propionitrile 399.67
    vinylene carbonate 571.03
    1,1,2-trichlorotrifluoroethane 776.57
    DMS 411.26
    cumene 96.41
    2-octanol 29.36
    2-hexanone 387.78
    octyl acetate 97.36
    limonene 88.65
    1,2-dimethoxyethane 678.65
    ethyl orthosilicate 110.67
    tributyl phosphate 68.27
    diacetone alcohol 327.86
    N,N-dimethylaniline 242.67
    acrylonitrile 697.11
    aniline 388.5
    1,3-propanediol 124.32
    bromobenzene 563.74
    dibromomethane 752.18
    1,1,2,2-tetrachloroethane 1741.31
    2-methyl-cyclohexyl acetate 187.16
    tetrabutyl urea 92.02
    diisobutyl methanol 56.59
    2-phenylethanol 194.43
    styrene 305.34
    dioctyl adipate 145.06
    dimethyl sulfate 562.06
    ethyl butyrate 324.56
    methyl lactate 199.66
    butyl lactate 127.29
    diethyl carbonate 219.58
    propanediol butyl ether 136.38
    triethyl orthoformate 172.97
    p-tert-butyltoluene 63.78
    methyl 4-tert-butylbenzoate 210.11
    morpholine 801.15
    tert-butylamine 55.8
    n-dodecanol 24.86
    dimethoxymethane 710.95
    ethylene carbonate 426.76
    cyrene 198.45
    2-ethoxyethyl acetate 360.06
    2-ethylhexyl acetate 248.17
    1,2,4-trichlorobenzene 569.71
    4-methylpyridine 989.35
    dibutyl ether 146.55
    2,6-dimethyl-4-heptanol 56.59
    DEF 714.73
    dimethyl isosorbide 453.66
    tetrachloroethylene 922.42
    eugenol 194.86
    triacetin 292.64
    span 80 126.68
    1,4-butanediol 49.59
    1,1-dichloroethane 809.18
    2-methyl-1-pentanol 85.26
    methyl formate 502.3
    2-methyl-1-butanol 79.37
    n-decane 6.3
    butyronitrile 265.73
    3,7-dimethyl-1-octanol 64.78
    1-chlorooctane 52.29
    1-chlorotetradecane 19.36
    n-nonane 5.74
    undecane 4.65
    tert-butylcyclohexane 17.26
    cyclooctane 5.46
    cyclopentanol 123.83
    tetrahydropyran 538.58
    tert-amyl methyl ether 156.13
    2,5,8-trioxanonane 439.68
    1-hexene 61.83
    2-isopropoxyethanol 184.92
    2,2,2-trifluoroethanol 132.2
    methyl butyrate 550.85

    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%