Diphenylmethane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    101-81-5

    Molecular formula
    C13H12

    SMILES
    C1=CC=C(C=C1)CC2=CC=CC=C2

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Green 83.86%
    Rose 70.4%
    Sweet 66.57%
    Metallic 60.55%
    Geranium 51.67%
    Leafy 46.48%
    Floral 39.69%
    Earthy 36.52%
    Hyacinth 35.3%
    Waxy 34.9%

     

    Flavor
    Rose 57.55%
    Sweet 50.87%
    Green 49.65%
    Balsam 36.18%
    Honey 35.69%
    Geranium 33.43%
    Plastic 32.98%
    Pungent 31.75%
    Floral 31.74%
    Anise 29.73%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    7.55 (neutral)

    Molecular weight
    168.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 25.4 °C

    Boiling point

    • 264.5 °C

    Flash point

    • 118.73 ˚C est.
    • 130 °C
    • 266 °F (130 °C) (CLOSED CUP)

    Solubility expt.

    • In water, 14.1 mg/L at 25 °C
    • In water, 14.5 mg/L
    • Freely soluble in alcohol, ether, chloroform, hexane, benzene; insoluble in liquid ammonia
    • >10% in both ethyl ether, ethanol and chloroform.

  • Synonyms

    • Diphenylmethane
    • 101-81-5
    • Benzylbenzene
    • Ditan
    • Benzene, 1,1'-methylenebis-
    • Ditane
    • Diphenyl methane
    • Benzene, benzyl-
    • Methane, diphenyl-
    • 1,1'-Dimethylenebis(benzene)
    • Benzene, (phenylmethyl)-
    • 1,1'-METHYLENEBISBENZENE
    • 1,1'-methylenedibenzene
    • (phenylmethyl)benzene
    • Benzylphenyl
    • Diphenylmethan
    • Benzyl benzene
    • Toluene, alpha-phenyl-
    • alpha-phenyltoluene
    • NSC 4708
    • MFCD00004781
    • HSDB 5141
    • EINECS 202-978-6
    • UNII-K3E387I0BC
    • AI3-28021-X
    • K3E387I0BC
    • Diphenylmethyl radical
    • DTXSID1041891
    • CHEBI:38884
    • AI3-00748
    • NSC-4708
    • Toluene, .alpha.-phenyl-
    • CHEMBL1796022
    • DTXCID9021891
    • Methylenedibenzene
    • Diphenylmethyl
    • benzyl-benzene
    • Diphenylmethane, 99%
    • Benzene,1'-methylenebis-
    • Diphenylmethane, >=99%
    • 1,1'-methanediyldibenzene
    • WLN: R1R
    • DIPHENYLMETHANE [MI]
    • BIDD:ER0257
    • DTXSID50196280
    • NSC4708
    • 1,1'-METHYLENEBIS(BENZENE)
    • Tox21_301147
    • BDBM50346811
    • STL445701
    • AKOS000120567
    • CS-W009530
    • FD34703
    • HY-W008814
    • 1,1'-METHYLENEBISBENZENE [HSDB]
    • NCGC00248307-01
    • NCGC00255045-01
    • CAS-101-81-5
    • LS-14188
    • SY001825
    • D0896
    • NS00012346
    • EN300-21054
    • E75810
    • A800459
    • Q412882
    • F0001-0052
    • InChI=1/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H
    • 202-978-6

  • Applications

    Diphenylmethane (CAS 101-81-5) is used as a nonpolar solvent and reaction medium in a range of industrial processes; it serves as an intermediate building block for the synthesis of arylmethyl derivatives and for the production of dyes and pigments; it functions as a chemical precursor in organic synthesis to prepare benzyl-containing compounds; in coatings, inks, and adhesives it can act as a high-boiling diluent and solvent; and in polymer-related formulations it may be used as a process solvent or formulation diluent, depending on the system.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.66
    methanol 9.24
    isopropanol 8.35
    water 0.01
    ethyl acetate 175.4
    n-propanol 17.34
    acetone 95.69
    n-butanol 15.48
    acetonitrile 44.83
    DMF 96.48
    toluene 181.48
    isobutanol 10.63
    1,4-dioxane 339.78
    methyl acetate 107.96
    THF 527.11
    2-butanone 121.28
    n-pentanol 16.66
    sec-butanol 13.07
    n-hexane 31.78
    ethylene glycol 3.96
    NMP 122.64
    cyclohexane 47.61
    DMSO 97.6
    n-butyl acetate 159.7
    n-octanol 15.23
    chloroform 342.27
    n-propyl acetate 107.74
    acetic acid 26.71
    dichloromethane 420.61
    cyclohexanone 196.09
    propylene glycol 7.41
    isopropyl acetate 109.84
    DMAc 128.28
    2-ethoxyethanol 34.43
    isopentanol 15.74
    n-heptane 42.1
    ethyl formate 58.53
    1,2-dichloroethane 363.36
    n-hexanol 29.84
    2-methoxyethanol 43.26
    isobutyl acetate 81.51
    tetrachloromethane 40.24
    n-pentyl acetate 56.88
    transcutol 344.89
    n-heptanol 14.13
    ethylbenzene 110.68
    MIBK 76.86
    2-propoxyethanol 56.05
    tert-butanol 17.34
    MTBE 57.26
    2-butoxyethanol 28.57
    propionic acid 26.37
    o-xylene 90.13
    formic acid 3.43
    diethyl ether 127.65
    m-xylene 86.75
    p-xylene 99.88
    chlorobenzene 148.3
    dimethyl carbonate 73.98
    n-octane 13.02
    formamide 9.63
    cyclopentanone 302.98
    2-pentanone 102.64
    anisole 206.72
    cyclopentyl methyl ether 173.92
    gamma-butyrolactone 294.06
    1-methoxy-2-propanol 37.98
    pyridine 329.47
    3-pentanone 128.55
    furfural 196.63
    n-dodecane 8.34
    diethylene glycol 29.46
    diisopropyl ether 51.91
    tert-amyl alcohol 20.2
    acetylacetone 195.73
    n-hexadecane 10.28
    acetophenone 148.28
    methyl propionate 113.29
    isopentyl acetate 148.28
    trichloroethylene 577.43
    n-nonanol 17.49
    cyclohexanol 26.24
    benzyl alcohol 51.09
    2-ethylhexanol 39.49
    isooctanol 14.89
    dipropyl ether 209.38
    1,2-dichlorobenzene 141.75
    ethyl lactate 34.21
    propylene carbonate 174.24
    n-methylformamide 24.48
    2-pentanol 13.21
    n-pentane 11.01
    1-propoxy-2-propanol 60.01
    1-methoxy-2-propyl acetate 172.96
    2-(2-methoxypropoxy) propanol 78.99
    mesitylene 63.7
    ε-caprolactone 161.46
    p-cymene 67.5
    epichlorohydrin 377.7
    1,1,1-trichloroethane 241.65
    2-aminoethanol 7.48
    morpholine-4-carbaldehyde 164.07
    sulfolane 270.77
    2,2,4-trimethylpentane 10.18
    2-methyltetrahydrofuran 230.04
    n-hexyl acetate 71.84
    isooctane 8.65
    2-(2-butoxyethoxy)ethanol 83.13
    sec-butyl acetate 92.02
    tert-butyl acetate 137.89
    decalin 40.95
    glycerin 11.88
    diglyme 245.43
    acrylic acid 26.48
    isopropyl myristate 56.25
    n-butyric acid 45.96
    acetyl acetate 154.41
    di(2-ethylhexyl) phthalate 41.02
    ethyl propionate 130.14
    nitromethane 81.66
    1,2-diethoxyethane 240.95
    benzonitrile 80.36
    trioctyl phosphate 22.34
    1-bromopropane 149.85
    gamma-valerolactone 245.44
    n-decanol 15.02
    triethyl phosphate 84.26
    4-methyl-2-pentanol 13.64
    propionitrile 47.14
    vinylene carbonate 128.97
    1,1,2-trichlorotrifluoroethane 137.21
    DMS 127.37
    cumene 69.32
    2-octanol 10.6
    2-hexanone 96.55
    octyl acetate 52.02
    limonene 91.89
    1,2-dimethoxyethane 177.68
    ethyl orthosilicate 78.45
    tributyl phosphate 36.27
    diacetone alcohol 74.72
    N,N-dimethylaniline 125.26
    acrylonitrile 56.23
    aniline 74.82
    1,3-propanediol 11.51
    bromobenzene 217.35
    dibromomethane 274.78
    1,1,2,2-tetrachloroethane 400.26
    2-methyl-cyclohexyl acetate 122.98
    tetrabutyl urea 49.53
    diisobutyl methanol 41.47
    2-phenylethanol 58.02
    styrene 145.81
    dioctyl adipate 93.41
    dimethyl sulfate 105.58
    ethyl butyrate 191.82
    methyl lactate 33.9
    butyl lactate 32.98
    diethyl carbonate 128.0
    propanediol butyl ether 23.71
    triethyl orthoformate 128.01
    p-tert-butyltoluene 65.72
    methyl 4-tert-butylbenzoate 103.78
    morpholine 210.37
    tert-butylamine 14.57
    n-dodecanol 14.45
    dimethoxymethane 129.3
    ethylene carbonate 110.89
    cyrene 75.06
    2-ethoxyethyl acetate 108.22
    2-ethylhexyl acetate 135.33
    1,2,4-trichlorobenzene 179.27
    4-methylpyridine 186.93
    dibutyl ether 109.05
    2,6-dimethyl-4-heptanol 41.47
    DEF 118.49
    dimethyl isosorbide 219.68
    tetrachloroethylene 212.44
    eugenol 67.28
    triacetin 108.98
    span 80 56.53
    1,4-butanediol 5.63
    1,1-dichloroethane 161.93
    2-methyl-1-pentanol 21.49
    methyl formate 33.23
    2-methyl-1-butanol 15.6
    n-decane 13.87
    butyronitrile 45.81
    3,7-dimethyl-1-octanol 26.84
    1-chlorooctane 41.13
    1-chlorotetradecane 22.38
    n-nonane 13.6
    undecane 10.24
    tert-butylcyclohexane 33.04
    cyclooctane 27.29
    cyclopentanol 28.11
    tetrahydropyran 237.73
    tert-amyl methyl ether 62.18
    2,5,8-trioxanonane 185.0
    1-hexene 74.65
    2-isopropoxyethanol 30.98
    2,2,2-trifluoroethanol 10.33
    methyl butyrate 132.02

    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