Di-p-tolyl

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  • Identifiers

    CAS number
    613-33-2

    Molecular formula
    C14H14

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 66.65%
    Sweet 52.56%
    Green 48.8%
    Woody 45.06%
    Rose 40.61%
    Earthy 39.21%
    Camphoreous 38.84%
    Geranium 38.72%
    Oily 37.44%
    Pungent 36.13%

     

    Flavor
    Plastic 41.76%
    Phenolic 37.55%
    Medicinal 34.7%
    Naphthyl 32.88%
    Geranium 28.74%
    Chemical 26.77%
    Camphor 26.35%
    Guaiacol 25.72%
    Gasoline 24.47%
    Tar 23.75%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.1

    pKa est.
    8.55 (weak base)

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    290°C

    Flash point

    • 124.81 ˚C est.

  • Synonyms

    • 4,4'-DIMETHYLBIPHENYL
    • 613-33-2
    • Di-p-tolyl
    • 5J314QOJ2V
    • DTXSID30210195
    • NSC-90464
    • RefChem:96273
    • DTXCID30132686
    • 210-337-7
    • 4,4'-Dimethyldiphenyl
    • 4,4'-Dimethyl-1,1'-biphenyl
    • 4,4'-Bitolyl
    • Bi-p-tolyl
    • p,p'-Bitolyl
    • 1,1'-Biphenyl, 4,4'-dimethyl-
    • 1-methyl-4-(4-methylphenyl)benzene
    • MFCD00008545
    • 4,4'-Ditolyl
    • p,p'-Bitoluene
    • 1-Methyl-4-(4'-methylphenyl)benzene
    • DIMETHYLBIPHENYL
    • 4,4'-Dimethyl biphenyl
    • 4,4 inverted exclamation marka-Dimethylbiphenyl
    • NSC 90464
    • 4,4/'-Dimethylbiphenyl
    • UNII-5J314QOJ2V
    • 1-methyl-4-(p-tolyl)benzene
    • p,p'-Ditolyl
    • NSC90464
    • EINECS 210-337-7
    • 4,4`-Dimethyldiphenyl
    • AI3-21616
    • 4, 4'-Dimethylbiphenyl
    • 4,4\'-Dimethylbiphenyl
    • 1, 4,4'-dimethyl-
    • Biphenyl, 4,4'-dimethyl-
    • SCHEMBL197731
    • SCHEMBL513970
    • orb3023479
    • SCHEMBL1718237
    • SCHEMBL7955325
    • 1-methyl-4-(p-tolyl)-benzene
    • 4,4'-Dimethylbiphenyl, 97%
    • SCHEMBL29104498
    • 4,4`-dimethyl-1,1`-biphenyl
    • SBB008499
    • AKOS015842521
    • AC-7328
    • CS-W017094
    • AS-12676
    • FD149146
    • SY005740
    • D1234
    • NS00034646
    • ST50308238
    • 4,4 inverted exclamation mark -Dimethyldiphenyl
    • A10771
    • 613D332
    • AG-219/25001484
    • F046939
    • doi:10.14272/RZTDESRVPFKCBH-UHFFFAOYSA-N.1
    • Q27262355
    • InChI=1/C14H14/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3-10H,1-2H
    • 613-33-2

  • Applications

    Di-p-tolyl (CAS 613-33-2) is primarily used as an organic synthesis intermediate. In practical applications it serves as a building block for the production of dyes and pigments, and as a precursor or functionalizing agent in specialty polymers and coatings where diaryl linkages are valuable. It is often evaluated for use in coatings and inks as a reactive component or coupling partner, and may be employed in adhesive formulations as a reactive linker or bonding aid. In industrial manufacturing, it can appear as a precursor in the synthesis of advanced materials for electronics or optoelectronic research. Its use is typically governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 20.16
    methanol 15.18
    isopropanol 10.66
    water 0.02
    ethyl acetate 185.11
    n-propanol 21.92
    acetone 71.28
    n-butanol 21.5
    acetonitrile 61.18
    DMF 107.91
    toluene 193.73
    isobutanol 12.04
    1,4-dioxane 376.0
    methyl acetate 135.5
    THF 429.22
    2-butanone 125.84
    n-pentanol 21.28
    sec-butanol 16.96
    n-hexane 38.77
    ethylene glycol 3.36
    NMP 120.98
    cyclohexane 41.96
    DMSO 54.14
    n-butyl acetate 181.63
    n-octanol 14.12
    chloroform 349.22
    n-propyl acetate 108.15
    acetic acid 21.61
    dichloromethane 384.53
    cyclohexanone 161.88
    propylene glycol 6.72
    isopropyl acetate 108.8
    DMAc 182.25
    2-ethoxyethanol 48.0
    isopentanol 20.29
    n-heptane 29.64
    ethyl formate 48.23
    1,2-dichloroethane 327.48
    n-hexanol 37.71
    2-methoxyethanol 52.37
    isobutyl acetate 90.28
    tetrachloromethane 44.63
    n-pentyl acetate 55.86
    transcutol 362.2
    n-heptanol 15.45
    ethylbenzene 138.08
    MIBK 70.69
    2-propoxyethanol 76.81
    tert-butanol 23.2
    MTBE 100.1
    2-butoxyethanol 33.81
    propionic acid 27.3
    o-xylene 97.56
    formic acid 4.06
    diethyl ether 207.36
    m-xylene 94.54
    p-xylene 124.33
    chlorobenzene 136.6
    dimethyl carbonate 81.8
    n-octane 10.27
    formamide 13.84
    cyclopentanone 222.96
    2-pentanone 95.78
    anisole 259.36
    cyclopentyl methyl ether 159.87
    gamma-butyrolactone 210.51
    1-methoxy-2-propanol 42.85
    pyridine 357.53
    3-pentanone 142.87
    furfural 166.75
    n-dodecane 5.88
    diethylene glycol 33.6
    diisopropyl ether 68.95
    tert-amyl alcohol 29.46
    acetylacetone 163.25
    n-hexadecane 7.26
    acetophenone 153.13
    methyl propionate 133.94
    isopentyl acetate 175.21
    trichloroethylene 540.79
    n-nonanol 17.29
    cyclohexanol 24.11
    benzyl alcohol 59.82
    2-ethylhexanol 40.73
    isooctanol 15.73
    dipropyl ether 224.61
    1,2-dichlorobenzene 153.91
    ethyl lactate 32.98
    propylene carbonate 126.27
    n-methylformamide 29.49
    2-pentanol 16.5
    n-pentane 13.55
    1-propoxy-2-propanol 65.89
    1-methoxy-2-propyl acetate 200.74
    2-(2-methoxypropoxy) propanol 92.55
    mesitylene 71.01
    ε-caprolactone 144.0
    p-cymene 72.14
    epichlorohydrin 325.55
    1,1,1-trichloroethane 220.85
    2-aminoethanol 8.76
    morpholine-4-carbaldehyde 178.62
    sulfolane 173.6
    2,2,4-trimethylpentane 12.67
    2-methyltetrahydrofuran 222.6
    n-hexyl acetate 70.37
    isooctane 9.69
    2-(2-butoxyethoxy)ethanol 89.22
    sec-butyl acetate 109.75
    tert-butyl acetate 157.91
    decalin 40.67
    glycerin 10.05
    diglyme 269.89
    acrylic acid 24.86
    isopropyl myristate 58.48
    n-butyric acid 42.66
    acetyl acetate 141.95
    di(2-ethylhexyl) phthalate 47.37
    ethyl propionate 143.54
    nitromethane 76.36
    1,2-diethoxyethane 307.49
    benzonitrile 77.64
    trioctyl phosphate 22.48
    1-bromopropane 175.19
    gamma-valerolactone 224.75
    n-decanol 14.44
    triethyl phosphate 97.02
    4-methyl-2-pentanol 16.2
    propionitrile 64.5
    vinylene carbonate 108.9
    1,1,2-trichlorotrifluoroethane 108.67
    DMS 144.97
    cumene 89.0
    2-octanol 10.82
    2-hexanone 98.18
    octyl acetate 51.21
    limonene 86.78
    1,2-dimethoxyethane 213.32
    ethyl orthosilicate 96.66
    tributyl phosphate 38.51
    diacetone alcohol 71.92
    N,N-dimethylaniline 164.08
    acrylonitrile 74.27
    aniline 88.93
    1,3-propanediol 13.61
    bromobenzene 199.34
    dibromomethane 245.52
    1,1,2,2-tetrachloroethane 403.42
    2-methyl-cyclohexyl acetate 144.8
    tetrabutyl urea 48.74
    diisobutyl methanol 38.16
    2-phenylethanol 74.13
    styrene 173.89
    dioctyl adipate 91.74
    dimethyl sulfate 99.0
    ethyl butyrate 193.06
    methyl lactate 30.76
    butyl lactate 31.59
    diethyl carbonate 148.59
    propanediol butyl ether 22.51
    triethyl orthoformate 150.37
    p-tert-butyltoluene 75.47
    methyl 4-tert-butylbenzoate 110.47
    morpholine 268.7
    tert-butylamine 20.0
    n-dodecanol 12.97
    dimethoxymethane 147.12
    ethylene carbonate 88.3
    cyrene 77.18
    2-ethoxyethyl acetate 128.27
    2-ethylhexyl acetate 177.68
    1,2,4-trichlorobenzene 188.01
    4-methylpyridine 226.53
    dibutyl ether 100.02
    2,6-dimethyl-4-heptanol 38.16
    DEF 138.17
    dimethyl isosorbide 258.56
    tetrachloroethylene 216.31
    eugenol 75.02
    triacetin 111.89
    span 80 56.46
    1,4-butanediol 6.13
    1,1-dichloroethane 158.06
    2-methyl-1-pentanol 28.18
    methyl formate 29.25
    2-methyl-1-butanol 20.06
    n-decane 9.68
    butyronitrile 49.15
    3,7-dimethyl-1-octanol 26.63
    1-chlorooctane 35.87
    1-chlorotetradecane 19.68
    n-nonane 8.99
    undecane 7.11
    tert-butylcyclohexane 37.16
    cyclooctane 24.51
    cyclopentanol 23.97
    tetrahydropyran 260.59
    tert-amyl methyl ether 98.53
    2,5,8-trioxanonane 208.45
    1-hexene 92.45
    2-isopropoxyethanol 41.62
    2,2,2-trifluoroethanol 10.22
    methyl butyrate 126.42

    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