1,3,5-Triphenylbenzene

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  • Identifiers

    CAS number
    612-71-5

    Molecular formula
    C24H18

    SMILES
    C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC=CC=C3)C4=CC=CC=C4

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 61.73%
    Rose 61.11%
    Geranium 56.2%
    Metallic 51.26%
    Green 51.2%
    Pungent 40.15%
    Earthy 32.38%
    Leafy 27.85%
    Orange 27.16%
    Camphoreous 26.63%

     

    Flavor
    Geranium 43.6%
    Rose 38.34%
    Pungent 32.0%
    Green 30.7%
    Tar 27.05%
    Tarry 25.86%
    Balsam 25.12%
    Animal 23.85%
    Naphthelene 23.15%
    Moth ball 23.01%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.8

    pKa est.
    7.8 (neutral)

    Molecular weight
    306.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    604°C

    Flash point

    • 227.79 ˚C est.

  • Synonyms

    • 1,3,5-Triphenylbenzene
    • 612-71-5
    • 5'-Phenyl-1,1':3',1''-terphenyl
    • Triphenylbenzene
    • s-Triphenylbenzene
    • 5'-Phenyl-m-terphenyl
    • 1,1':3',1''-Terphenyl, 5'-phenyl-
    • m-Terphenyl, 5'-phenyl-
    • Benzene, 1,3,5-triphenyl-
    • 1,1'-Biphenyl, 3,5-diphenyl-
    • MFCD00003060
    • NSC 17358
    • 408MSO5WO3
    • NSC-17358
    • 1,3,5-Triphenylbenzene 10 microg/mL in Acetonitrile
    • EINECS 210-318-3
    • BRN 1912744
    • UNII-408MSO5WO3
    • AI3-02595
    • NSC17358
    • 1,5-Triphenylbenzene
    • 3,5-DIPHENYL-1,1'-BIPHENYL
    • 1, 3,5-diphenyl-
    • Benzene,3,5-triphenyl-
    • WLN: RR CR ER
    • Symmetrical triphenylbenzene
    • 1,3,5-Triphenyl Benzene
    • Phloroglucinol Impurity 106
    • YSWG254
    • 4-05-00-02732 (Beilstein Handbook Reference)
    • SCHEMBL456946
    • SCHEMBL481505
    • SCHEMBL2449105
    • SCHEMBL2449602
    • SCHEMBL2451112
    • SCHEMBL7950746
    • DTXSID9073917
    • 1,3,5-Triphenylbenzene, 97%
    • MSK4336
    • 1,1''-Terphenyl, 5'-phenyl-
    • SBB061697
    • AKOS015904072
    • AC-13455
    • PS-11005
    • SY033595
    • CS-0111053
    • NS00034627
    • ST50827280
    • T0509
    • D70967
    • EN300-171705
    • F234396
    • 2~5~-Phenyl-1~1~,2~1~:2~3~,3~1~-terphenyl
    • Q27258308
    • InChI=1/C24H18/c1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h1-18
    • 612-71-5

  • Applications

    1,3,5-Triphenylbenzene (CAS 612-71-5) is primarily used as a rigid, three-armed aryl building block in materials science. It serves as a synthetic intermediate for more complex polyaromatic compounds and can be incorporated into star- or dendritic polymer architectures, improving rigidity and thermal stability. In electronics-related applications, it is evaluated as a core scaffold for organic semiconductors and liquid-crystal materials, and it can be functionalized via cross-coupling reactions to form extended conjugated systems for OLEDs or OFETs. It is also studied as a versatile precursor for higher-purity aromatic compounds used in coatings and inks, and in research settings as a reference or model compound for photophysical studies of rigid aromatic cores. Its use is typically laboratory-scale or in pilot syntheses, and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.18
    methanol 0.17
    isopropanol 0.12
    water 0.0
    ethyl acetate 5.91
    n-propanol 0.29
    acetone 3.24
    n-butanol 0.29
    acetonitrile 0.66
    DMF 15.55
    toluene 9.49
    isobutanol 0.22
    1,4-dioxane 15.04
    methyl acetate 4.87
    THF 65.82
    2-butanone 6.21
    n-pentanol 0.41
    sec-butanol 0.29
    n-hexane 0.32
    ethylene glycol 0.08
    NMP 36.47
    cyclohexane 0.53
    DMSO 6.55
    n-butyl acetate 7.13
    n-octanol 0.39
    chloroform 15.56
    n-propyl acetate 5.83
    acetic acid 1.17
    dichloromethane 29.04
    cyclohexanone 13.88
    propylene glycol 0.2
    isopropyl acetate 6.25
    DMAc 33.83
    2-ethoxyethanol 1.94
    isopentanol 0.37
    n-heptane 0.6
    ethyl formate 2.43
    1,2-dichloroethane 21.79
    n-hexanol 0.61
    2-methoxyethanol 1.93
    isobutyl acetate 5.38
    tetrachloromethane 1.35
    n-pentyl acetate 4.4
    transcutol 15.63
    n-heptanol 0.46
    ethylbenzene 8.26
    MIBK 4.69
    2-propoxyethanol 2.9
    tert-butanol 0.32
    MTBE 2.61
    2-butoxyethanol 1.84
    propionic acid 1.36
    o-xylene 6.66
    formic acid 0.27
    diethyl ether 2.79
    m-xylene 6.03
    p-xylene 6.9
    chlorobenzene 8.44
    dimethyl carbonate 10.29
    n-octane 0.27
    formamide 1.04
    cyclopentanone 39.48
    2-pentanone 4.97
    anisole 22.49
    cyclopentyl methyl ether 14.73
    gamma-butyrolactone 38.16
    1-methoxy-2-propanol 2.04
    pyridine 25.37
    3-pentanone 8.12
    furfural 33.35
    n-dodecane 0.18
    diethylene glycol 1.31
    diisopropyl ether 1.89
    tert-amyl alcohol 0.66
    acetylacetone 18.18
    n-hexadecane 0.23
    acetophenone 18.91
    methyl propionate 7.29
    isopentyl acetate 9.03
    trichloroethylene 57.74
    n-nonanol 0.56
    cyclohexanol 0.69
    benzyl alcohol 3.37
    2-ethylhexanol 1.2
    isooctanol 0.59
    dipropyl ether 8.08
    1,2-dichlorobenzene 15.44
    ethyl lactate 3.12
    propylene carbonate 18.22
    n-methylformamide 2.1
    2-pentanol 0.29
    n-pentane 0.13
    1-propoxy-2-propanol 3.11
    1-methoxy-2-propyl acetate 18.07
    2-(2-methoxypropoxy) propanol 7.06
    mesitylene 4.59
    ε-caprolactone 14.36
    p-cymene 5.37
    epichlorohydrin 53.91
    1,1,1-trichloroethane 11.88
    2-aminoethanol 0.22
    morpholine-4-carbaldehyde 24.22
    sulfolane 54.78
    2,2,4-trimethylpentane 0.41
    2-methyltetrahydrofuran 17.64
    n-hexyl acetate 4.25
    isooctane 0.25
    2-(2-butoxyethoxy)ethanol 5.28
    sec-butyl acetate 7.46
    tert-butyl acetate 12.37
    decalin 1.28
    glycerin 0.56
    diglyme 22.06
    acrylic acid 1.84
    isopropyl myristate 3.99
    n-butyric acid 1.9
    acetyl acetate 9.64
    di(2-ethylhexyl) phthalate 4.32
    ethyl propionate 9.37
    nitromethane 5.99
    1,2-diethoxyethane 13.19
    benzonitrile 4.75
    trioctyl phosphate 1.64
    1-bromopropane 5.83
    gamma-valerolactone 37.13
    n-decanol 0.44
    triethyl phosphate 12.91
    4-methyl-2-pentanol 0.43
    propionitrile 1.1
    vinylene carbonate 16.12
    1,1,2-trichlorotrifluoroethane 18.73
    DMS 16.41
    cumene 5.47
    2-octanol 0.38
    2-hexanone 5.3
    octyl acetate 3.22
    limonene 5.7
    1,2-dimethoxyethane 13.87
    ethyl orthosilicate 11.37
    tributyl phosphate 2.99
    diacetone alcohol 5.79
    N,N-dimethylaniline 16.47
    acrylonitrile 2.19
    aniline 3.96
    1,3-propanediol 0.33
    bromobenzene 13.8
    dibromomethane 12.4
    1,1,2,2-tetrachloroethane 35.08
    2-methyl-cyclohexyl acetate 14.02
    tetrabutyl urea 4.87
    diisobutyl methanol 1.61
    2-phenylethanol 3.43
    styrene 8.83
    dioctyl adipate 10.44
    dimethyl sulfate 26.21
    ethyl butyrate 13.84
    methyl lactate 3.23
    butyl lactate 3.04
    diethyl carbonate 12.23
    propanediol butyl ether 1.26
    triethyl orthoformate 14.84
    p-tert-butyltoluene 5.57
    methyl 4-tert-butylbenzoate 13.86
    morpholine 10.39
    tert-butylamine 0.26
    n-dodecanol 0.39
    dimethoxymethane 11.98
    ethylene carbonate 9.59
    cyrene 11.82
    2-ethoxyethyl acetate 10.68
    2-ethylhexyl acetate 9.79
    1,2,4-trichlorobenzene 22.34
    4-methylpyridine 13.16
    dibutyl ether 3.83
    2,6-dimethyl-4-heptanol 1.61
    DEF 11.41
    dimethyl isosorbide 39.06
    tetrachloroethylene 16.43
    eugenol 7.74
    triacetin 12.95
    span 80 4.36
    1,4-butanediol 0.16
    1,1-dichloroethane 5.62
    2-methyl-1-pentanol 0.77
    methyl formate 2.8
    2-methyl-1-butanol 0.44
    n-decane 0.3
    butyronitrile 0.88
    3,7-dimethyl-1-octanol 0.86
    1-chlorooctane 1.29
    1-chlorotetradecane 0.75
    n-nonane 0.26
    undecane 0.22
    tert-butylcyclohexane 1.14
    cyclooctane 0.48
    cyclopentanol 1.16
    tetrahydropyran 8.8
    tert-amyl methyl ether 4.01
    2,5,8-trioxanonane 19.37
    1-hexene 1.15
    2-isopropoxyethanol 1.83
    2,2,2-trifluoroethanol 0.88
    methyl butyrate 8.89

    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