3-Methylbiphenyl

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  • Identifiers

    CAS number
    643-93-6

    Molecular formula
    C13H12

    SMILES
    CC1=CC(=CC=C1)C2=CC=CC=C2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 70.51%
    Green 57.69%
    Rose 52.49%
    Sweet 51.64%
    Woody 47.59%
    Geranium 45.38%
    Metallic 40.51%
    Earthy 39.48%
    Camphoreous 38.79%
    Oily 37.72%

     

    Flavor
    Plastic 39.75%
    Geranium 36.29%
    Phenolic 30.39%
    Pungent 29.59%
    Naphthyl 28.58%
    Medicinal 28.48%
    Tar 26.47%
    Camphor 25.96%
    Tarry 25.91%
    Dry 25.8%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    7.84 (neutral)

    Molecular weight
    168.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    276°C

    Flash point

    • 118.51 ˚C est.

  • Synonyms

    • 3-Methylbiphenyl
    • 643-93-6
    • 3-Phenyltoluene
    • 1,1'-Biphenyl, 3-methyl-
    • 3-Methyldiphenyl
    • m-Phenyltoluene
    • Biphenyl, 3-methyl-
    • m-Methylbiphenyl
    • (3-Methylphenyl)benzene
    • UNII-KFP6EO4J6P
    • KFP6EO4J6P
    • EINECS 211-404-3
    • DTXSID4060941
    • 3Phenyltoluene
    • RefChem:94842
    • 1,1'Biphenyl, 3methyl
    • DTXCID2044268
    • 211-404-3
    • InChI=1/C13H12/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h2-10H,1H
    • NPDIDUXTRAITDE-UHFFFAOYSA-N
    • 1-methyl-3-phenylbenzene
    • 3-Methyl-1,1'biphenyl
    • 3-METHYL-1,1'-BIPHENYL
    • MFCD00008533
    • 1-methyl-3-phenyl-benzene
    • 532427-37-5
    • 3-Methyl-biphenyl
    • 3-Phenyltoluene, 95%
    • 3-methyl-1-phenylbenzene
    • SCHEMBL95329
    • SCHEMBL193137
    • SCHEMBL200730
    • SCHEMBL534200
    • SCHEMBL694507
    • orb3023485
    • orb3026023
    • SCHEMBL1368022
    • SCHEMBL1532000
    • SCHEMBL1803708
    • SCHEMBL2115058
    • SCHEMBL2703844
    • SCHEMBL5182001
    • SCHEMBL6241463
    • SCHEMBL7951424
    • SCHEMBL9435986
    • SCHEMBL9458190
    • SCHEMBL27954145
    • SCHEMBL28128672
    • SCHEMBL29699277
    • 3-methyl-1,1atrade markbiphenyl
    • MSK3051
    • SBB055147
    • AKOS015842426
    • CS-W017792
    • FM69805
    • AS-13071
    • SY018975
    • DB-031401
    • M0296
    • NS00022617
    • ST45022222
    • 1,1'-Biphenyl,3-methyl-,radical ion(1+)(9ci)
    • 643M936
    • A834740
    • F067995
    • Q27282235
    • 643-93-6

  • Applications

    3-Methylbiphenyl (CAS 643-93-6) is primarily used as an intermediate in organic synthesis, enabling the construction of specialty chemicals and core motifs for liquid crystalline materials. It also serves as a precursor in fragrance chemistry as an odorant or fixative component, and finds use in coatings and inks as a chemical feedstock or additive. In polymer and electronics-related applications, it may act as a building block for aromatic polymers and related optical materials. Additionally, it is used in research and development as a reference compound and for formulation testing, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 181.75
    methanol 78.43
    isopropanol 119.96
    water 0.03
    ethyl acetate 927.53
    n-propanol 180.82
    acetone 941.94
    n-butanol 176.74
    acetonitrile 432.46
    DMF 634.34
    toluene 722.75
    isobutanol 118.49
    1,4-dioxane 1559.02
    methyl acetate 677.3
    THF 2096.48
    2-butanone 866.75
    n-pentanol 144.27
    sec-butanol 136.36
    n-hexane 234.58
    ethylene glycol 20.9
    NMP 504.68
    cyclohexane 236.71
    DMSO 515.77
    n-butyl acetate 977.86
    n-octanol 130.75
    chloroform 1186.1
    n-propyl acetate 472.7
    acetic acid 123.86
    dichloromethane 1499.38
    cyclohexanone 1015.87
    propylene glycol 44.46
    isopropyl acetate 444.99
    DMAc 502.72
    2-ethoxyethanol 176.75
    isopentanol 146.42
    n-heptane 241.32
    ethyl formate 322.92
    1,2-dichloroethane 1372.33
    n-hexanol 308.58
    2-methoxyethanol 255.69
    isobutyl acetate 345.17
    tetrachloromethane 155.62
    n-pentyl acetate 268.96
    transcutol 1064.95
    n-heptanol 116.07
    ethylbenzene 378.85
    MIBK 407.02
    2-propoxyethanol 365.11
    tert-butanol 185.29
    MTBE 477.86
    2-butoxyethanol 161.6
    propionic acid 143.21
    o-xylene 277.66
    formic acid 11.51
    diethyl ether 1057.14
    m-xylene 339.85
    p-xylene 339.38
    chlorobenzene 527.13
    dimethyl carbonate 283.76
    n-octane 77.4
    formamide 41.03
    cyclopentanone 1306.05
    2-pentanone 792.88
    anisole 637.23
    cyclopentyl methyl ether 872.13
    gamma-butyrolactone 1031.61
    1-methoxy-2-propanol 234.13
    pyridine 1182.02
    3-pentanone 707.5
    furfural 573.01
    n-dodecane 46.72
    diethylene glycol 142.25
    diisopropyl ether 269.54
    tert-amyl alcohol 165.22
    acetylacetone 693.15
    n-hexadecane 56.03
    acetophenone 398.16
    methyl propionate 621.8
    isopentyl acetate 698.77
    trichloroethylene 1810.58
    n-nonanol 126.03
    cyclohexanol 205.31
    benzyl alcohol 199.19
    2-ethylhexanol 290.93
    isooctanol 108.1
    dipropyl ether 1038.86
    1,2-dichlorobenzene 380.4
    ethyl lactate 114.35
    propylene carbonate 549.15
    n-methylformamide 168.7
    2-pentanol 135.22
    n-pentane 102.07
    1-propoxy-2-propanol 326.87
    1-methoxy-2-propyl acetate 575.22
    2-(2-methoxypropoxy) propanol 233.69
    mesitylene 194.37
    ε-caprolactone 707.67
    p-cymene 195.4
    epichlorohydrin 1441.36
    1,1,1-trichloroethane 852.77
    2-aminoethanol 46.39
    morpholine-4-carbaldehyde 579.4
    sulfolane 834.29
    2,2,4-trimethylpentane 45.59
    2-methyltetrahydrofuran 1241.58
    n-hexyl acetate 405.86
    isooctane 44.34
    2-(2-butoxyethoxy)ethanol 324.39
    sec-butyl acetate 342.02
    tert-butyl acetate 453.9
    decalin 128.01
    glycerin 52.38
    diglyme 807.01
    acrylic acid 113.64
    isopropyl myristate 204.15
    n-butyric acid 278.14
    acetyl acetate 427.42
    di(2-ethylhexyl) phthalate 123.63
    ethyl propionate 479.06
    nitromethane 374.16
    1,2-diethoxyethane 904.1
    benzonitrile 318.2
    trioctyl phosphate 90.36
    1-bromopropane 819.69
    gamma-valerolactone 923.47
    n-decanol 104.95
    triethyl phosphate 179.15
    4-methyl-2-pentanol 98.96
    propionitrile 397.47
    vinylene carbonate 411.51
    1,1,2-trichlorotrifluoroethane 351.03
    DMS 381.24
    cumene 205.47
    2-octanol 87.8
    2-hexanone 553.87
    octyl acetate 219.15
    limonene 317.12
    1,2-dimethoxyethane 763.43
    ethyl orthosilicate 177.83
    tributyl phosphate 119.99
    diacetone alcohol 303.29
    N,N-dimethylaniline 335.55
    acrylonitrile 389.03
    aniline 343.49
    1,3-propanediol 83.42
    bromobenzene 707.02
    dibromomethane 1073.62
    1,1,2,2-tetrachloroethane 1210.53
    2-methyl-cyclohexyl acetate 331.9
    tetrabutyl urea 174.76
    diisobutyl methanol 178.08
    2-phenylethanol 260.02
    styrene 508.55
    dioctyl adipate 255.78
    dimethyl sulfate 316.65
    ethyl butyrate 679.02
    methyl lactate 122.24
    butyl lactate 129.15
    diethyl carbonate 351.53
    propanediol butyl ether 116.67
    triethyl orthoformate 333.5
    p-tert-butyltoluene 179.74
    methyl 4-tert-butylbenzoate 269.14
    morpholine 1232.36
    tert-butylamine 140.02
    n-dodecanol 93.65
    dimethoxymethane 697.23
    ethylene carbonate 397.13
    cyrene 197.6
    2-ethoxyethyl acetate 383.87
    2-ethylhexyl acetate 593.54
    1,2,4-trichlorobenzene 443.72
    4-methylpyridine 940.61
    dibutyl ether 539.29
    2,6-dimethyl-4-heptanol 178.08
    DEF 627.03
    dimethyl isosorbide 492.51
    tetrachloroethylene 625.78
    eugenol 210.17
    triacetin 296.98
    span 80 186.42
    1,4-butanediol 34.58
    1,1-dichloroethane 939.86
    2-methyl-1-pentanol 142.34
    methyl formate 183.18
    2-methyl-1-butanol 140.31
    n-decane 81.77
    butyronitrile 417.27
    3,7-dimethyl-1-octanol 160.56
    1-chlorooctane 254.08
    1-chlorotetradecane 107.93
    n-nonane 91.59
    undecane 59.42
    tert-butylcyclohexane 109.95
    cyclooctane 117.26
    cyclopentanol 202.76
    tetrahydropyran 1536.02
    tert-amyl methyl ether 362.2
    2,5,8-trioxanonane 472.19
    1-hexene 600.04
    2-isopropoxyethanol 158.65
    2,2,2-trifluoroethanol 35.89
    methyl butyrate 566.42

    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