2-Methylbiphenyl

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  • Identifiers

    CAS number
    643-58-3

    Molecular formula
    C13H12

    SMILES
    CC1=CC=CC=C1C2=CC=CC=C2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 60.8%
    Green 60.51%
    Rose 51.87%
    Geranium 50.54%
    Metallic 43.93%
    Earthy 42.74%
    Camphoreous 41.06%
    Woody 40.41%
    Sweet 40.13%
    Pungent 38.1%

     

    Flavor
    Geranium 40.86%
    Plastic 37.46%
    Pungent 34.39%
    Phenolic 30.23%
    Medicinal 29.75%
    Naphthyl 28.97%
    Tar 27.89%
    Tarry 26.91%
    Rose 26.76%
    Gasoline 26.65%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.67 (neutral)

    Molecular weight
    168.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • Melting point: 2-methyl: -0.2 °C; 3-methyl: 4.5 °C; 4-methyl: 49-50 °C.

    Boiling point

    • 255.3 °C

    Flash point

    • 115.72 ˚C est.
    • Sure Sol-170: 180 °F closed cup Sure Sol-175: 175 °F closed cup /Sure sol-170: 38% methylbiphenyls, 25% biphenyl, 37% dimethyl naphthalenes; sure sol-175 55% methylbiphenyls, 14% biphenyl, and 31% other C12+ aromatic hydrocarbons/

    Solubility expt.

    • Insoluble in water.

  • Synonyms

    • 2-METHYLBIPHENYL
    • 2-Methyl-1,1'-biphenyl
    • 2-Phenyltoluene
    • 1-Methyl-2-phenylbenzene
    • o-Methylbiphenyl
    • o-Phenyltoluene
    • Biphenyl, 2-methyl-
    • 1,1'-Biphenyl, 2-methyl-
    • UNII-X937MQ8S1T
    • X937MQ8S1T
    • NSC 5321
    • NSC-5321
    • EINECS 211-400-1
    • ALLIZEAXNXSFGD-UHFFFAOYSA-
    • DTXSID10881160
    • oMethylbiphenyl
    • oPhenyltoluene
    • 2methylbiphenyl
    • Biphenyl, 2methyl
    • 1Methyl2phenylbenzene
    • RefChem:88271
    • 1,1'Biphenyl, 2methyl
    • Biphenyl, 2methyl (8CI)
    • Biphenyl, 2-methyl-(8CI)
    • DTXCID605575
    • 1,1'-Biphenyl, 2-methyl-(9CI)
    • ALLIZEAXNXSFGD-UHFFFAOYSA-N
    • InChI=1/C13H12/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h2-10H,1H3
    • 643-58-3
    • MFCD00008517
    • 28652-72-4
    • Methyl-1,1'-biphenyl
    • 2-methyl biphenyl
    • 1-methyl-2-phenyl-benzene
    • NSC5321
    • methyl 1,1' biphenyl
    • 2-Phenyltoluene, 97%
    • SCHEMBL616
    • SCHEMBL95436
    • SCHEMBL239884
    • SCHEMBL290532
    • SCHEMBL534043
    • SCHEMBL695298
    • SCHEMBL695988
    • SCHEMBL981109
    • SCHEMBL981110
    • orb3023347
    • orb3026041
    • SCHEMBL1370107
    • SCHEMBL1568061
    • SCHEMBL3742416
    • SCHEMBL4663339
    • SCHEMBL6337103
    • SCHEMBL15822820
    • SCHEMBL29706107
    • MSK3050
    • SBB008545
    • AKOS015917335
    • MSK3050-1000M
    • AC-18697
    • AS-57752
    • SY049588
    • DB-038172
    • CS-0313456
    • M1242
    • NS00042582
    • ST45022221
    • 2-Methylbiphenyl Solution in Methanol, 1000ug/mL
    • 643M583
    • F200782
    • Q27293704
    • 643-58-3

  • Applications

    2-Methylbiphenyl (CAS 643-58-3) is primarily used as an organic synthesis intermediate, serving as a building block for downstream compounds in coatings, polymers, and dye chemistry. Its nonpolar character and high boiling point also make it suitable as a high-temperature solvent or reaction medium in certain industrial processes. It also serves as a precursor for liquid-crystal materials and electronics applications based on the biphenyl core, particularly in developing active components for OLED-type or other organic electronic systems. Additionally, 2-Methylbiphenyl can be used as a building block for synthesizing colorants and polymer additives. In analytical workflows, it may be used as a reference standard in GC or HPLC methods to calibrate and quantify related compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 295.75
    methanol 131.76
    isopropanol 186.68
    water 0.05
    ethyl acetate 1222.78
    n-propanol 278.07
    acetone 1507.56
    n-butanol 256.22
    acetonitrile 811.69
    DMF 1194.11
    toluene 1174.47
    isobutanol 174.39
    1,4-dioxane 2242.98
    methyl acetate 1012.54
    THF 2904.73
    2-butanone 1223.44
    n-pentanol 187.32
    sec-butanol 179.85
    n-hexane 363.47
    ethylene glycol 26.36
    NMP 934.3
    cyclohexane 455.1
    DMSO 885.73
    n-butyl acetate 1535.32
    n-octanol 223.28
    chloroform 1907.12
    n-propyl acetate 743.56
    acetic acid 190.93
    dichloromethane 2882.86
    cyclohexanone 1854.57
    propylene glycol 45.24
    isopropyl acetate 582.28
    DMAc 696.45
    2-ethoxyethanol 220.59
    isopentanol 189.91
    n-heptane 457.01
    ethyl formate 650.98
    1,2-dichloroethane 2350.65
    n-hexanol 430.16
    2-methoxyethanol 357.0
    isobutyl acetate 476.09
    tetrachloromethane 380.02
    n-pentyl acetate 459.77
    transcutol 1000.71
    n-heptanol 191.47
    ethylbenzene 535.23
    MIBK 527.38
    2-propoxyethanol 457.55
    tert-butanol 237.01
    MTBE 552.55
    2-butoxyethanol 222.18
    propionic acid 225.63
    o-xylene 426.24
    formic acid 17.51
    diethyl ether 1473.9
    m-xylene 522.44
    p-xylene 513.54
    chlorobenzene 941.35
    dimethyl carbonate 432.73
    n-octane 146.62
    formamide 77.94
    cyclopentanone 2252.11
    2-pentanone 1165.65
    anisole 795.96
    cyclopentyl methyl ether 1343.34
    gamma-butyrolactone 1856.99
    1-methoxy-2-propanol 274.55
    pyridine 1780.42
    3-pentanone 1006.23
    furfural 935.62
    n-dodecane 86.19
    diethylene glycol 162.42
    diisopropyl ether 350.12
    tert-amyl alcohol 188.25
    acetylacetone 950.58
    n-hexadecane 103.76
    acetophenone 538.98
    methyl propionate 936.61
    isopentyl acetate 938.8
    trichloroethylene 2898.89
    n-nonanol 213.93
    cyclohexanol 350.04
    benzyl alcohol 256.03
    2-ethylhexanol 410.25
    isooctanol 163.03
    dipropyl ether 1507.92
    1,2-dichlorobenzene 658.62
    ethyl lactate 153.55
    propylene carbonate 882.92
    n-methylformamide 391.07
    2-pentanol 187.76
    n-pentane 192.82
    1-propoxy-2-propanol 411.21
    1-methoxy-2-propyl acetate 699.39
    2-(2-methoxypropoxy) propanol 248.75
    mesitylene 299.51
    ε-caprolactone 1191.64
    p-cymene 305.83
    epichlorohydrin 2270.81
    1,1,1-trichloroethane 1441.06
    2-aminoethanol 58.27
    morpholine-4-carbaldehyde 925.12
    sulfolane 1452.29
    2,2,4-trimethylpentane 60.59
    2-methyltetrahydrofuran 1815.6
    n-hexyl acetate 648.7
    isooctane 61.96
    2-(2-butoxyethoxy)ethanol 354.29
    sec-butyl acetate 435.03
    tert-butyl acetate 555.77
    decalin 185.25
    glycerin 52.75
    diglyme 939.87
    acrylic acid 171.36
    isopropyl myristate 300.86
    n-butyric acid 439.5
    acetyl acetate 563.67
    di(2-ethylhexyl) phthalate 159.82
    ethyl propionate 683.25
    nitromethane 669.08
    1,2-diethoxyethane 1131.03
    benzonitrile 516.48
    trioctyl phosphate 134.24
    1-bromopropane 1355.66
    gamma-valerolactone 1550.83
    n-decanol 176.8
    triethyl phosphate 237.7
    4-methyl-2-pentanol 118.67
    propionitrile 696.47
    vinylene carbonate 718.87
    1,1,2-trichlorotrifluoroethane 459.34
    DMS 524.19
    cumene 288.68
    2-octanol 148.97
    2-hexanone 764.71
    octyl acetate 337.0
    limonene 481.64
    1,2-dimethoxyethane 1050.56
    ethyl orthosilicate 229.14
    tributyl phosphate 174.07
    diacetone alcohol 347.79
    N,N-dimethylaniline 434.79
    acrylonitrile 713.62
    aniline 519.07
    1,3-propanediol 116.52
    bromobenzene 1213.4
    dibromomethane 1990.3
    1,1,2,2-tetrachloroethane 1783.8
    2-methyl-cyclohexyl acetate 444.38
    tetrabutyl urea 268.02
    diisobutyl methanol 228.29
    2-phenylethanol 347.14
    styrene 723.49
    dioctyl adipate 344.83
    dimethyl sulfate 472.09
    ethyl butyrate 996.65
    methyl lactate 163.16
    butyl lactate 182.44
    diethyl carbonate 486.96
    propanediol butyl ether 145.57
    triethyl orthoformate 450.0
    p-tert-butyltoluene 266.8
    methyl 4-tert-butylbenzoate 366.84
    morpholine 1747.44
    tert-butylamine 181.66
    n-dodecanol 151.66
    dimethoxymethane 1137.18
    ethylene carbonate 721.57
    cyrene 240.26
    2-ethoxyethyl acetate 545.08
    2-ethylhexyl acetate 819.06
    1,2,4-trichlorobenzene 662.11
    4-methylpyridine 1489.99
    dibutyl ether 779.59
    2,6-dimethyl-4-heptanol 228.29
    DEF 1001.99
    dimethyl isosorbide 607.7
    tetrachloroethylene 1093.72
    eugenol 267.59
    triacetin 393.06
    span 80 212.95
    1,4-butanediol 47.72
    1,1-dichloroethane 1639.44
    2-methyl-1-pentanol 164.65
    methyl formate 408.7
    2-methyl-1-butanol 181.09
    n-decane 156.35
    butyronitrile 724.65
    3,7-dimethyl-1-octanol 219.93
    1-chlorooctane 445.6
    1-chlorotetradecane 176.54
    n-nonane 176.63
    undecane 113.76
    tert-butylcyclohexane 147.68
    cyclooctane 213.51
    cyclopentanol 386.47
    tetrahydropyran 2333.95
    tert-amyl methyl ether 422.94
    2,5,8-trioxanonane 515.51
    1-hexene 832.39
    2-isopropoxyethanol 186.62
    2,2,2-trifluoroethanol 63.35
    methyl butyrate 879.25

    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