1,1-Diphenylethane

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  • Identifiers

    CAS number
    612-00-0

    Molecular formula
    C14H14

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

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Green 77.21%
    Herbal 49.72%
    Metallic 48.79%
    Floral 45.31%
    Rose 44.95%
    Earthy 44.81%
    Fresh 44.58%
    Leafy 43.02%
    Geranium 42.51%
    Spicy 36.59%

     

    Flavor
    Green 50.25%
    Rose 27.75%
    Balsam 24.63%
    Geranium 23.07%
    Fresh 22.63%
    Tar 21.51%
    Tarry 21.06%
    Waxy 21.01%
    Floral 20.26%
    Herb 19.69%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.52 (neutral)

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    268°C

    Flash point

    • 123.7 ˚C est.

  • Synonyms

    • 1,1-DIPHENYLETHANE
    • 612-00-0
    • 1-phenylethylbenzene
    • (Phenylethyl)benzene
    • Benzene, 1,1'-ethylidenebis-
    • Ethane, 1,1-diphenyl-
    • (1-Phenylethyl)benzene
    • 38888-98-1
    • Benzene, (phenylethyl)-
    • DIPHENYLETHANE
    • 9813FDC9QO
    • 1,1-diphenyl-ethane
    • NSC 33534
    • NSC-33534
    • AI3-04341
    • DTXSID6041218
    • 1,1'-ethane-1,1-diyldibenzene
    • EINECS 254-179-7
    • 1,1'-ETHYLIDENEBIS(BENZENE)
    • EC 254-179-7
    • 1,1'-Ethylidenebis[benzene]; 1,1-Diphenylethane; NSC 33534; Pabsol 300
    • Ethane,1-diphenyl-
    • 1,1'-Diphenylethane
    • methyl diphenyl methane
    • (1-Phenylethyl)benzene #
    • 1,1'-Ethylidenebisbenzene
    • 1,1-Diphenylethane, as-
    • Benzene,1'-ethylidenebis-
    • UNII-9813FDC9QO
    • 1, as-
    • DTXCID4021218
    • Ethane, 1,1-diphenyl-(8CI)
    • WLZ3156
    • NSC33534
    • MFCD00055631
    • AKOS006272949
    • BS-53215
    • NS00007861
    • F72450
    • A833094
    • Q9545624
    • 254-179-7

  • Applications

    1,1-Diphenylethane (CAS 612-00-0) is primarily used as an intermediate in the synthesis of aromatic compounds and specialty dyes. It may act as a non-polar solvent or diluent in coatings, inks, adhesives, and resin formulations to adjust viscosity and evaporation characteristics. It can serve as a starting material for creating substituted diaryl intermediates in fine chemicals and related industries. In polymer and plastics processing, it may be used as a precursor for aromatic monomers or as a processing aid, with usage governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 61.99
    methanol 33.98
    isopropanol 39.15
    water 0.02
    ethyl acetate 683.01
    n-propanol 68.34
    acetone 631.55
    n-butanol 70.54
    acetonitrile 242.91
    DMF 588.4
    toluene 719.8
    isobutanol 46.93
    1,4-dioxane 1241.48
    methyl acetate 484.43
    THF 2008.55
    2-butanone 585.9
    n-pentanol 58.24
    sec-butanol 48.27
    n-hexane 132.13
    ethylene glycol 6.03
    NMP 627.12
    cyclohexane 196.68
    DMSO 352.31
    n-butyl acetate 649.71
    n-octanol 49.3
    chloroform 1315.87
    n-propyl acetate 401.37
    acetic acid 75.92
    dichloromethane 1830.94
    cyclohexanone 1036.04
    propylene glycol 11.94
    isopropyl acetate 379.42
    DMAc 484.49
    2-ethoxyethanol 94.77
    isopentanol 67.17
    n-heptane 113.48
    ethyl formate 242.97
    1,2-dichloroethane 1603.92
    n-hexanol 110.05
    2-methoxyethanol 131.52
    isobutyl acetate 269.99
    tetrachloromethane 204.18
    n-pentyl acetate 217.83
    transcutol 656.87
    n-heptanol 48.57
    ethylbenzene 301.5
    MIBK 307.05
    2-propoxyethanol 163.47
    tert-butanol 74.3
    MTBE 262.28
    2-butoxyethanol 82.67
    propionic acid 83.85
    o-xylene 267.51
    formic acid 7.14
    diethyl ether 654.5
    m-xylene 282.08
    p-xylene 296.0
    chlorobenzene 568.34
    dimethyl carbonate 256.06
    n-octane 40.1
    formamide 30.96
    cyclopentanone 1505.3
    2-pentanone 549.56
    anisole 544.5
    cyclopentyl methyl ether 754.5
    gamma-butyrolactone 1210.13
    1-methoxy-2-propanol 112.29
    pyridine 1203.92
    3-pentanone 584.23
    furfural 632.2
    n-dodecane 23.44
    diethylene glycol 59.79
    diisopropyl ether 185.94
    tert-amyl alcohol 68.37
    acetylacetone 663.01
    n-hexadecane 30.1
    acetophenone 389.13
    methyl propionate 474.47
    isopentyl acetate 497.0
    trichloroethylene 2188.92
    n-nonanol 54.38
    cyclohexanol 110.22
    benzyl alcohol 140.89
    2-ethylhexanol 129.95
    isooctanol 50.24
    dipropyl ether 623.4
    1,2-dichlorobenzene 456.49
    ethyl lactate 77.75
    propylene carbonate 562.84
    n-methylformamide 129.58
    2-pentanol 53.69
    n-pentane 55.19
    1-propoxy-2-propanol 164.69
    1-methoxy-2-propyl acetate 476.39
    2-(2-methoxypropoxy) propanol 145.74
    mesitylene 177.46
    ε-caprolactone 703.11
    p-cymene 153.01
    epichlorohydrin 1530.85
    1,1,1-trichloroethane 1023.6
    2-aminoethanol 15.75
    morpholine-4-carbaldehyde 586.53
    sulfolane 1005.27
    2,2,4-trimethylpentane 30.33
    2-methyltetrahydrofuran 1043.85
    n-hexyl acetate 269.5
    isooctane 26.99
    2-(2-butoxyethoxy)ethanol 176.85
    sec-butyl acetate 280.32
    tert-butyl acetate 408.33
    decalin 101.14
    glycerin 18.7
    diglyme 569.94
    acrylic acid 74.52
    isopropyl myristate 151.19
    n-butyric acid 170.59
    acetyl acetate 406.76
    di(2-ethylhexyl) phthalate 93.93
    ethyl propionate 432.04
    nitromethane 327.25
    1,2-diethoxyethane 697.37
    benzonitrile 269.01
    trioctyl phosphate 60.93
    1-bromopropane 741.63
    gamma-valerolactone 1039.84
    n-decanol 44.8
    triethyl phosphate 179.51
    4-methyl-2-pentanol 47.61
    propionitrile 248.56
    vinylene carbonate 429.97
    1,1,2-trichlorotrifluoroethane 329.77
    DMS 339.91
    cumene 164.06
    2-octanol 37.27
    2-hexanone 389.18
    octyl acetate 151.51
    limonene 239.45
    1,2-dimethoxyethane 579.56
    ethyl orthosilicate 168.08
    tributyl phosphate 93.28
    diacetone alcohol 211.99
    N,N-dimethylaniline 297.82
    acrylonitrile 280.18
    aniline 275.27
    1,3-propanediol 32.61
    bromobenzene 793.07
    dibromomethane 1144.2
    1,1,2,2-tetrachloroethane 1392.87
    2-methyl-cyclohexyl acetate 296.96
    tetrabutyl urea 131.27
    diisobutyl methanol 107.75
    2-phenylethanol 164.29
    styrene 432.51
    dioctyl adipate 211.11
    dimethyl sulfate 330.12
    ethyl butyrate 582.35
    methyl lactate 80.85
    butyl lactate 91.66
    diethyl carbonate 334.86
    propanediol butyl ether 52.98
    triethyl orthoformate 310.14
    p-tert-butyltoluene 148.61
    methyl 4-tert-butylbenzoate 234.97
    morpholine 911.6
    tert-butylamine 62.92
    n-dodecanol 40.91
    dimethoxymethane 572.54
    ethylene carbonate 403.74
    cyrene 158.54
    2-ethoxyethyl acetate 329.84
    2-ethylhexyl acetate 445.52
    1,2,4-trichlorobenzene 514.8
    4-methylpyridine 915.87
    dibutyl ether 351.17
    2,6-dimethyl-4-heptanol 107.75
    DEF 594.54
    dimethyl isosorbide 461.94
    tetrachloroethylene 792.89
    eugenol 157.5
    triacetin 245.12
    span 80 109.26
    1,4-butanediol 13.24
    1,1-dichloroethane 898.93
    2-methyl-1-pentanol 67.91
    methyl formate 152.03
    2-methyl-1-butanol 62.85
    n-decane 41.85
    butyronitrile 252.59
    3,7-dimethyl-1-octanol 76.38
    1-chlorooctane 149.9
    1-chlorotetradecane 63.84
    n-nonane 43.6
    undecane 30.24
    tert-butylcyclohexane 80.36
    cyclooctane 88.18
    cyclopentanol 129.13
    tetrahydropyran 1182.15
    tert-amyl methyl ether 220.06
    2,5,8-trioxanonane 341.14
    1-hexene 308.11
    2-isopropoxyethanol 86.01
    2,2,2-trifluoroethanol 30.25
    methyl butyrate 513.86

    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