3-Phenylphenol

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  • Identifiers

    CAS number
    580-51-8

    Molecular formula
    C12H10O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 68.99%
    Floral 51.29%
    Medicinal 46.38%
    Animal 43.43%
    Rose 37.28%
    Woody 35.41%
    Leathery 33.82%
    Spicy 31.92%
    Fruity 30.91%
    Sweet 30.76%

     

    Flavor
    Phenolic 57.88%
    Medicinal 39.17%
    Geranium 38.5%
    Plastic 34.74%
    Green 34.2%
    Fecal 30.66%
    Phenol 28.19%
    Medical 26.52%
    Guaiacol 25.69%
    Tar 25.69%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    9.55 (weak base)

    Molecular weight
    170.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    317°C

    Flash point

    • 153.7 ˚C est.

  • Synonyms

    • 3-PHENYLPHENOL
    • 580-51-8
    • [1,1'-Biphenyl]-3-ol
    • 3-Hydroxybiphenyl
    • 3-Biphenylol
    • m-Phenylphenol
    • m-Hydroxydiphenyl
    • m-Hydroxybiphenyl
    • 3-Hydroxydiphenyl
    • (1,1'-Biphenyl)-3-ol
    • DTXSID2022462
    • ZU11X47H4O
    • NSC-17588
    • DTXCID602462
    • RefChem:95336
    • 629-441-2
    • Biphenyl-3-ol
    • 3-phenyl phenol
    • MFCD00002294
    • Phenol, m-phenyl-
    • NSC 17588
    • UNII-ZU11X47H4O
    • 3-phenyphenol
    • 3-phenyl-phenol
    • 3-hydroxy biphenyl
    • 3-Phenylphenol, 85%
    • 3-HYDROXY-BIPHENYL
    • SCHEMBL51869
    • BIDD:ER0167
    • SCHEMBL277850
    • SCHEMBL533504
    • CHEMBL122570
    • orb1987259
    • orb3026030
    • SCHEMBL3145839
    • SCHEMBL3774002
    • SCHEMBL3861765
    • SCHEMBL3990520
    • SCHEMBL6969894
    • SCHEMBL8471292
    • SCHEMBL10978839
    • SCHEMBL11345498
    • SCHEMBL29356013
    • CHEBI:34338
    • AAA58051
    • MSK21105
    • NSC17588
    • Tox21_303813
    • BBL019899
    • STL196681
    • AKOS002678496
    • CS-W017699
    • DS-5096
    • EBC-612614
    • NCGC00356994-01
    • CAS-580-51-8
    • SY051510
    • DB-014321
    • 3-Phenylphenol,90% remainder 4-Phenylphenol
    • NS00125591
    • P0768
    • ST50405719
    • D70321
    • EN300-122583
    • F329856
    • Q27115998
    • InChI=1/C12H10O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13
    • W5B
    • 580-51-8

  • Applications

    3-Phenylphenol (CAS 580-51-8) is primarily used as an organic synthesis intermediate, notably in the manufacture of dyes and pigments; it serves as a precursor in the synthesis of pharmaceutical and agrochemical active ingredients; it is employed as a building block in the production of polymers, coatings, and ink formulations; it may be used as a fragrance/odorant component in perfumery and personal care formulations; and it can function as a specialty reagent or solvent in various industrial synthesis steps.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 797.66
    methanol 661.63
    isopropanol 455.18
    water 0.22
    ethyl acetate 1150.78
    n-propanol 638.71
    acetone 1679.13
    n-butanol 384.71
    acetonitrile 1254.37
    DMF 1195.16
    toluene 164.51
    isobutanol 294.96
    1,4-dioxane 1581.67
    methyl acetate 1039.25
    THF 1688.67
    2-butanone 1207.86
    n-pentanol 216.92
    sec-butanol 329.83
    n-hexane 13.54
    ethylene glycol 150.31
    NMP 464.78
    cyclohexane 13.65
    DMSO 1971.75
    n-butyl acetate 386.44
    n-octanol 109.37
    chloroform 389.7
    n-propyl acetate 440.91
    acetic acid 389.93
    dichloromethane 441.22
    cyclohexanone 730.23
    propylene glycol 240.69
    isopropyl acetate 386.64
    DMAc 678.01
    2-ethoxyethanol 369.13
    isopentanol 235.0
    n-heptane 19.52
    ethyl formate 471.38
    1,2-dichloroethane 659.56
    n-hexanol 250.97
    2-methoxyethanol 828.53
    isobutyl acetate 206.65
    tetrachloromethane 38.66
    n-pentyl acetate 150.87
    transcutol 1459.44
    n-heptanol 107.58
    ethylbenzene 104.3
    MIBK 326.13
    2-propoxyethanol 479.08
    tert-butanol 386.85
    MTBE 403.6
    2-butoxyethanol 217.88
    propionic acid 478.45
    o-xylene 79.13
    formic acid 82.71
    diethyl ether 871.91
    m-xylene 95.94
    p-xylene 94.66
    chlorobenzene 172.23
    dimethyl carbonate 329.41
    n-octane 8.1
    formamide 385.33
    cyclopentanone 1218.38
    2-pentanone 882.56
    anisole 362.17
    cyclopentyl methyl ether 475.67
    gamma-butyrolactone 1272.3
    1-methoxy-2-propanol 567.92
    pyridine 828.45
    3-pentanone 573.24
    furfural 578.23
    n-dodecane 8.57
    diethylene glycol 298.89
    diisopropyl ether 120.17
    tert-amyl alcohol 271.97
    acetylacetone 699.75
    n-hexadecane 10.05
    acetophenone 243.23
    methyl propionate 832.77
    isopentyl acetate 269.9
    trichloroethylene 878.13
    n-nonanol 95.65
    cyclohexanol 191.13
    benzyl alcohol 191.15
    2-ethylhexanol 143.64
    isooctanol 88.66
    dipropyl ether 321.62
    1,2-dichlorobenzene 129.44
    ethyl lactate 130.57
    propylene carbonate 461.73
    n-methylformamide 823.89
    2-pentanol 218.42
    n-pentane 9.49
    1-propoxy-2-propanol 319.81
    1-methoxy-2-propyl acetate 336.1
    2-(2-methoxypropoxy) propanol 199.61
    mesitylene 53.64
    ε-caprolactone 536.28
    p-cymene 51.35
    epichlorohydrin 1527.06
    1,1,1-trichloroethane 307.58
    2-aminoethanol 329.09
    morpholine-4-carbaldehyde 601.83
    sulfolane 1073.17
    2,2,4-trimethylpentane 9.65
    2-methyltetrahydrofuran 904.86
    n-hexyl acetate 238.27
    isooctane 9.92
    2-(2-butoxyethoxy)ethanol 332.61
    sec-butyl acetate 226.5
    tert-butyl acetate 294.55
    decalin 16.78
    glycerin 250.21
    diglyme 699.74
    acrylic acid 323.29
    isopropyl myristate 84.26
    n-butyric acid 542.01
    acetyl acetate 328.22
    di(2-ethylhexyl) phthalate 61.82
    ethyl propionate 408.06
    nitromethane 1336.68
    1,2-diethoxyethane 473.49
    benzonitrile 226.63
    trioctyl phosphate 49.79
    1-bromopropane 217.91
    gamma-valerolactone 1038.49
    n-decanol 71.48
    triethyl phosphate 81.76
    4-methyl-2-pentanol 111.28
    propionitrile 729.76
    vinylene carbonate 346.98
    1,1,2-trichlorotrifluoroethane 511.17
    DMS 226.59
    cumene 60.71
    2-octanol 66.88
    2-hexanone 421.74
    octyl acetate 108.53
    limonene 75.17
    1,2-dimethoxyethane 866.63
    ethyl orthosilicate 76.48
    tributyl phosphate 64.9
    diacetone alcohol 366.89
    N,N-dimethylaniline 144.5
    acrylonitrile 770.6
    aniline 271.64
    1,3-propanediol 394.02
    bromobenzene 145.21
    dibromomethane 241.74
    1,1,2,2-tetrachloroethane 623.81
    2-methyl-cyclohexyl acetate 138.28
    tetrabutyl urea 88.31
    diisobutyl methanol 83.52
    2-phenylethanol 167.91
    styrene 131.57
    dioctyl adipate 115.67
    dimethyl sulfate 355.45
    ethyl butyrate 281.28
    methyl lactate 217.15
    butyl lactate 116.26
    diethyl carbonate 161.84
    propanediol butyl ether 196.09
    triethyl orthoformate 137.33
    p-tert-butyltoluene 49.55
    methyl 4-tert-butylbenzoate 154.56
    morpholine 1532.97
    tert-butylamine 191.38
    n-dodecanol 54.45
    dimethoxymethane 1028.66
    ethylene carbonate 334.59
    cyrene 158.7
    2-ethoxyethyl acetate 254.01
    2-ethylhexyl acetate 190.0
    1,2,4-trichlorobenzene 169.55
    4-methylpyridine 561.71
    dibutyl ether 191.13
    2,6-dimethyl-4-heptanol 83.52
    DEF 607.42
    dimethyl isosorbide 305.06
    tetrachloroethylene 318.24
    eugenol 156.58
    triacetin 196.3
    span 80 152.05
    1,4-butanediol 106.56
    1,1-dichloroethane 402.48
    2-methyl-1-pentanol 161.08
    methyl formate 576.08
    2-methyl-1-butanol 232.68
    n-decane 14.59
    butyronitrile 542.64
    3,7-dimethyl-1-octanol 104.13
    1-chlorooctane 72.56
    1-chlorotetradecane 26.97
    n-nonane 13.84
    undecane 10.84
    tert-butylcyclohexane 18.81
    cyclooctane 7.02
    cyclopentanol 264.65
    tetrahydropyran 1059.82
    tert-amyl methyl ether 250.02
    2,5,8-trioxanonane 376.57
    1-hexene 108.47
    2-isopropoxyethanol 249.61
    2,2,2-trifluoroethanol 114.87
    methyl butyrate 485.1

    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