[1,1'-Biphenyl]-4,4'-dicarboxylic acid

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  • Identifiers

    CAS number
    787-70-2

    Molecular formula
    C14H10O4

    SMILES
    C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 52.93%
    Balsamic 51.22%
    Odorless 43.0%
    Honey 33.2%
    Animal 32.12%
    Burnt 31.35%
    Aromatic 31.27%
    Sour 30.36%
    Nutty 30.2%
    Bitter 28.29%

     

    Flavor
    Balsam 53.8%
    Faint 47.22%
    Phenolic 43.67%
    Nutty 42.55%
    Odorless 41.83%
    Honey 38.29%
    Mild 37.96%
    Balsamic 37.95%
    Sour 35.15%
    Sweet 33.87%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    5.8 (weak acid)

    Molecular weight
    242.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    449°C

    Flash point

    • 247.36 ˚C est.

  • Synonyms

    • 787-70-2
    • Biphenyl-4,4'-dicarboxylic acid
    • [1,1'-Biphenyl]-4,4'-dicarboxylic acid
    • 4,4'-BIPHENYLDICARBOXYLIC ACID
    • 4-(4-carboxyphenyl)benzoic acid
    • 4,4'-Bibenzoic acid
    • 4,4'-Dicarboxybiphenyl
    • 84787-70-2
    • p,p'-Diphenic acid
    • 4,4'-Diphenic acid
    • USAF DO-69
    • 4,4'-Dibenzoic Acid
    • 4,4'-Biphenyl dicarboxylic acid
    • EINECS 212-328-3
    • NSC 60016
    • BRN 0523308
    • (1,1'-Biphenyl)-4,4'-dicarboxylic acid
    • MFCD00002554
    • BIPHENYL-4,4-DICARBOXYLIC ACID
    • 4,4'-Diphenyldicarboxylic Acid
    • DTXSID7061140
    • 4-09-00-03563 (Beilstein Handbook Reference)
    • NSC-60016
    • Sandalwood oil from Santalum album L.
    • Biphenyl-4,4'-dicarboxylic acid, 97%
    • Santalum album
    • 4,4'-BISBENZOIC ACID
    • p,p'Diphenic acid
    • 4,4'Diphenic acid
    • 4,4'Bibenzoic acid
    • 4,4'dicarboxybiphenyl
    • 4,4'-DIPHENYL DICARBOXYLIC ACID
    • 4,4\'-Diacetylbiphenyl
    • WLN: QVR DR DVQ
    • [1,4'-dicarboxylic acid
    • IRMOF-10
    • Oprea1_519768
    • SCHEMBL69873
    • YSWG150
    • 5D8ABY24N2
    • 4,4'Biphenyl dicarboxylic acid
    • CHEMBL3593502
    • DTXCID1048128
    • biphenyl-4.4'-dicarboxylic acid
    • Biphenyl-4,4`-dicarboxylic Acid
    • Biphenyl-4,4\'-dicarboxylic acid
    • NSC60016
    • STR04514
    • CK2208
    • STK012281
    • AKOS000119440
    • (1,1'Biphenyl)4,4'dicarboxylic acid
    • CS-W014653
    • FD54832
    • HY-W013937
    • PS-7561
    • AC-23047
    • SY015816
    • DB-022647
    • DB-367111
    • B1191
    • NS00038003
    • EN300-17943
    • Purified BB Acid Dry R56256 (Intermediate)
    • Q2662185
    • Z57127884
    • F3096-1199
    • Biphenyl-4,4 inverted exclamation mark -dicarboxylic Acid
    • Biphenyl-4,4 inverted exclamation marka-dicarboxylic acid
    • Biphenyl-4,4'-dicarboxylic acid, Vetec(TM) reagent grade, 97%
    • 212-328-3

  • Applications

    Chemical name: [1,1'-Biphenyl]-4,4'-dicarboxylic acid; CAS 787-70-2. As a rigid dicarboxylic acid, it is used as a building block in high-performance polymers such as polyesters, polyimides, and other rigid biphenyl-based resins, and as a spacer in liquid-crystal polymer architectures to tailor Tg and stiffness. It can serve as a precursor or feedstock for dianhydride and polyimide-forming routes in electronics and optics. In coatings and inks, it is employed to impart thermal stability and hardness to cured resins. In adhesive formulations, it acts as a diacid crosslinker to enhance mechanical properties. It is also evaluated for specialty materials such as UV-curable and dielectric polymers for electronic applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.65
    methanol 0.9
    isopropanol 0.43
    water 0.01
    ethyl acetate 0.6
    n-propanol 0.75
    acetone 0.31
    n-butanol 0.63
    acetonitrile 0.1
    DMF 12.18
    toluene 0.17
    isobutanol 0.35
    1,4-dioxane 1.35
    methyl acetate 0.75
    THF 4.74
    2-butanone 1.69
    n-pentanol 0.63
    sec-butanol 1.54
    n-hexane 0.02
    ethylene glycol 0.47
    NMP 18.32
    cyclohexane 0.0
    DMSO 13.76
    n-butyl acetate 1.05
    n-octanol 0.26
    chloroform 0.15
    n-propyl acetate 0.4
    acetic acid 0.53
    dichloromethane 0.13
    cyclohexanone 0.92
    propylene glycol 0.92
    isopropyl acetate 0.86
    DMAc 42.36
    2-ethoxyethanol 5.98
    isopentanol 0.76
    n-heptane 0.03
    ethyl formate 0.23
    1,2-dichloroethane 0.23
    n-hexanol 0.66
    2-methoxyethanol 8.94
    isobutyl acetate 0.15
    tetrachloromethane 0.04
    n-pentyl acetate 0.75
    transcutol 27.75
    n-heptanol 0.58
    ethylbenzene 0.25
    MIBK 0.94
    2-propoxyethanol 7.33
    tert-butanol 1.15
    MTBE 2.05
    2-butoxyethanol 3.88
    propionic acid 0.83
    o-xylene 0.48
    formic acid 1.25
    diethyl ether 0.85
    m-xylene 0.24
    p-xylene 0.18
    chlorobenzene 0.09
    dimethyl carbonate 1.48
    n-octane 0.01
    formamide 5.09
    cyclopentanone 2.22
    2-pentanone 0.91
    anisole 1.75
    cyclopentyl methyl ether 1.47
    gamma-butyrolactone 2.78
    1-methoxy-2-propanol 8.72
    pyridine 1.04
    3-pentanone 1.14
    furfural 3.21
    n-dodecane 0.01
    diethylene glycol 6.06
    diisopropyl ether 0.43
    tert-amyl alcohol 3.54
    acetylacetone 1.49
    n-hexadecane 0.01
    acetophenone 1.64
    methyl propionate 1.39
    isopentyl acetate 1.29
    trichloroethylene 0.65
    n-nonanol 0.34
    cyclohexanol 0.41
    benzyl alcohol 0.98
    2-ethylhexanol 0.62
    isooctanol 0.52
    dipropyl ether 1.15
    1,2-dichlorobenzene 0.27
    ethyl lactate 1.31
    propylene carbonate 0.96
    n-methylformamide 2.49
    2-pentanol 0.77
    n-pentane 0.01
    1-propoxy-2-propanol 5.98
    1-methoxy-2-propyl acetate 5.31
    2-(2-methoxypropoxy) propanol 8.35
    mesitylene 0.25
    ε-caprolactone 1.63
    p-cymene 0.43
    epichlorohydrin 3.4
    1,1,1-trichloroethane 0.14
    2-aminoethanol 1.43
    morpholine-4-carbaldehyde 12.04
    sulfolane 12.33
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 2.5
    n-hexyl acetate 0.8
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 7.8
    sec-butyl acetate 0.59
    tert-butyl acetate 2.65
    decalin 0.03
    glycerin 3.77
    diglyme 18.1
    acrylic acid 0.94
    isopropyl myristate 0.51
    n-butyric acid 0.72
    acetyl acetate 0.41
    di(2-ethylhexyl) phthalate 0.89
    ethyl propionate 0.86
    nitromethane 1.54
    1,2-diethoxyethane 3.96
    benzonitrile 0.25
    trioctyl phosphate 0.47
    1-bromopropane 0.12
    gamma-valerolactone 4.89
    n-decanol 0.24
    triethyl phosphate 1.9
    4-methyl-2-pentanol 0.64
    propionitrile 0.22
    vinylene carbonate 0.64
    1,1,2-trichlorotrifluoroethane 5.36
    DMS 1.87
    cumene 0.28
    2-octanol 0.31
    2-hexanone 0.63
    octyl acetate 0.51
    limonene 0.55
    1,2-dimethoxyethane 7.8
    ethyl orthosilicate 2.08
    tributyl phosphate 0.63
    diacetone alcohol 5.76
    N,N-dimethylaniline 2.39
    acrylonitrile 0.39
    aniline 0.64
    1,3-propanediol 1.86
    bromobenzene 0.08
    dibromomethane 0.07
    1,1,2,2-tetrachloroethane 1.03
    2-methyl-cyclohexyl acetate 1.26
    tetrabutyl urea 1.41
    diisobutyl methanol 0.71
    2-phenylethanol 1.32
    styrene 0.2
    dioctyl adipate 1.07
    dimethyl sulfate 6.5
    ethyl butyrate 1.26
    methyl lactate 3.58
    butyl lactate 1.81
    diethyl carbonate 1.01
    propanediol butyl ether 2.87
    triethyl orthoformate 2.2
    p-tert-butyltoluene 0.5
    methyl 4-tert-butylbenzoate 3.88
    morpholine 3.14
    tert-butylamine 0.59
    n-dodecanol 0.18
    dimethoxymethane 6.91
    ethylene carbonate 0.37
    cyrene 6.0
    2-ethoxyethyl acetate 2.6
    2-ethylhexyl acetate 1.04
    1,2,4-trichlorobenzene 0.61
    4-methylpyridine 0.76
    dibutyl ether 0.51
    2,6-dimethyl-4-heptanol 0.71
    DEF 4.67
    dimethyl isosorbide 14.81
    tetrachloroethylene 0.61
    eugenol 4.43
    triacetin 2.27
    span 80 3.53
    1,4-butanediol 0.57
    1,1-dichloroethane 0.08
    2-methyl-1-pentanol 1.06
    methyl formate 0.79
    2-methyl-1-butanol 1.08
    n-decane 0.01
    butyronitrile 0.15
    3,7-dimethyl-1-octanol 0.44
    1-chlorooctane 0.09
    1-chlorotetradecane 0.04
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.05
    cyclooctane 0.01
    cyclopentanol 0.52
    tetrahydropyran 0.49
    tert-amyl methyl ether 4.66
    2,5,8-trioxanonane 14.17
    1-hexene 0.11
    2-isopropoxyethanol 3.32
    2,2,2-trifluoroethanol 0.48
    methyl butyrate 0.77

    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