4-Isopropylbiphenyl

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  • Identifiers

    CAS number
    7116-95-2

    Molecular formula
    C15H16

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

    Safety labels

  • Odor profile

    Fragrance
    Herbal 60.63%
    Green 57.79%
    Spicy 57.4%
    Woody 51.63%
    Earthy 46.63%
    Fresh 42.05%
    Terpenic 36.1%
    Citrus 35.08%
    Metallic 32.45%
    Leafy 32.35%

     

    Flavor
    Green 39.48%
    Spice 32.36%
    Citrus 31.01%
    Herbal 30.05%
    Woody 29.56%
    Herb 29.41%
    Gasoline 28.58%
    Fresh 28.04%
    Wood 26.37%
    Medicinal 24.74%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    8.22 (weak base)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    295°C

    Flash point

    • 140.4 ˚C est.

  • Synonyms

    • 4-Isopropylbiphenyl
    • 7116-95-2
    • BIPHENYL, 4-ISOPROPYL-
    • 1,1'-Biphenyl, 4-(1-methylethyl)-
    • 4KBV29724I
    • DTXSID20883094
    • RefChem:524337
    • DTXCID107881
    • 230-420-1
    • p-Isopropyldiphenyl
    • 1-phenyl-4-propan-2-ylbenzene
    • 4-Phenylcumene
    • 4-Isopropyl-1,1'-biphenyl
    • MFCD00221718
    • EINECS 230-420-1
    • BRN 1858288
    • UNII-4KBV29724I
    • p-isopropylbiphenyl
    • 4-(Propan-2-yl)-1,1'-biphenyl
    • SCHEMBL40527
    • SCHEMBL40528
    • 1-isopropyl-4-phenyl-benzene
    • SCHEMBL533910
    • SCHEMBL691332
    • SCHEMBL1074262
    • SCHEMBL1371593
    • SCHEMBL1371695
    • 4-Isopropyl-1,1'-biphenyl #
    • SCHEMBL28586638
    • 4-(methylethyl)-1-phenylbenzene
    • KWSHGRJUSUJPQD-UHFFFAOYSA-
    • AKOS025295655
    • AS-87839
    • DB-055499
    • CS-0331279
    • I0171
    • NS00001650
    • ST50826943
    • D91093
    • Q27259867
    • InChI=1/C15H16/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-12H,1-2H3
    • 7116-95-2

  • Applications

    4-Isopropylbiphenyl (CAS 7116-95-2) is primarily used as an organic synthesis intermediate, serving as a building block for the preparation of more complex aromatic compounds. In industrial manufacturing it finds roles in the development of liquid-crystal materials and related polymers, and can function as a non-polar precursor or additive in coatings, inks, and polymer formulations. The compound is also of interest as a fragrance research intermediate, potentially acting as an odorant or fixative in perfumery and related consumer products, while remaining subject to regulatory and formulation constraints. It may be evaluated for use in electronics-related materials and specialty plastics where tailored aromatic cores are desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 153.17
    methanol 122.56
    isopropanol 74.48
    water 0.03
    ethyl acetate 911.79
    n-propanol 156.85
    acetone 701.26
    n-butanol 150.28
    acetonitrile 361.89
    DMF 701.96
    toluene 744.81
    isobutanol 93.87
    1,4-dioxane 1651.98
    methyl acetate 610.63
    THF 1604.84
    2-butanone 727.79
    n-pentanol 115.75
    sec-butanol 90.12
    n-hexane 162.01
    ethylene glycol 15.1
    NMP 502.48
    cyclohexane 176.34
    DMSO 397.96
    n-butyl acetate 739.06
    n-octanol 43.0
    chloroform 1152.56
    n-propyl acetate 413.55
    acetic acid 121.45
    dichloromethane 1431.54
    cyclohexanone 922.48
    propylene glycol 28.01
    isopropyl acetate 496.27
    DMAc 637.34
    2-ethoxyethanol 234.47
    isopentanol 143.68
    n-heptane 72.75
    ethyl formate 193.49
    1,2-dichloroethane 1597.16
    n-hexanol 181.4
    2-methoxyethanol 336.72
    isobutyl acetate 310.6
    tetrachloromethane 134.26
    n-pentyl acetate 199.83
    transcutol 1700.27
    n-heptanol 50.94
    ethylbenzene 286.1
    MIBK 357.65
    2-propoxyethanol 400.74
    tert-butanol 149.27
    MTBE 659.98
    2-butoxyethanol 131.21
    propionic acid 108.41
    o-xylene 244.15
    formic acid 17.7
    diethyl ether 1577.91
    m-xylene 283.86
    p-xylene 264.76
    chlorobenzene 530.3
    dimethyl carbonate 314.75
    n-octane 22.27
    formamide 64.48
    cyclopentanone 1061.03
    2-pentanone 640.31
    anisole 660.63
    cyclopentyl methyl ether 735.49
    gamma-butyrolactone 761.23
    1-methoxy-2-propanol 246.78
    pyridine 1304.23
    3-pentanone 770.02
    furfural 535.64
    n-dodecane 13.18
    diethylene glycol 158.44
    diisopropyl ether 344.48
    tert-amyl alcohol 138.0
    acetylacetone 785.68
    n-hexadecane 16.82
    acetophenone 358.29
    methyl propionate 677.62
    isopentyl acetate 635.17
    trichloroethylene 1975.09
    n-nonanol 50.14
    cyclohexanol 139.57
    benzyl alcohol 178.6
    2-ethylhexanol 154.79
    isooctanol 53.89
    dipropyl ether 744.98
    1,2-dichlorobenzene 438.94
    ethyl lactate 98.66
    propylene carbonate 377.5
    n-methylformamide 172.27
    2-pentanol 107.61
    n-pentane 75.61
    1-propoxy-2-propanol 294.21
    1-methoxy-2-propyl acetate 732.68
    2-(2-methoxypropoxy) propanol 258.23
    mesitylene 178.44
    ε-caprolactone 628.36
    p-cymene 121.02
    epichlorohydrin 1312.27
    1,1,1-trichloroethane 856.89
    2-aminoethanol 43.7
    morpholine-4-carbaldehyde 758.85
    sulfolane 707.11
    2,2,4-trimethylpentane 41.8
    2-methyltetrahydrofuran 911.51
    n-hexyl acetate 244.06
    isooctane 38.56
    2-(2-butoxyethoxy)ethanol 317.63
    sec-butyl acetate 338.95
    tert-butyl acetate 590.92
    decalin 96.72
    glycerin 44.86
    diglyme 936.08
    acrylic acid 90.27
    isopropyl myristate 144.38
    n-butyric acid 232.96
    acetyl acetate 475.64
    di(2-ethylhexyl) phthalate 101.21
    ethyl propionate 471.61
    nitromethane 426.95
    1,2-diethoxyethane 1311.91
    benzonitrile 242.39
    trioctyl phosphate 58.92
    1-bromopropane 853.88
    gamma-valerolactone 1056.91
    n-decanol 42.28
    triethyl phosphate 201.94
    4-methyl-2-pentanol 84.93
    propionitrile 340.02
    vinylene carbonate 329.08
    1,1,2-trichlorotrifluoroethane 395.07
    DMS 430.74
    cumene 155.31
    2-octanol 32.18
    2-hexanone 442.39
    octyl acetate 137.9
    limonene 201.24
    1,2-dimethoxyethane 860.94
    ethyl orthosilicate 209.33
    tributyl phosphate 103.19
    diacetone alcohol 299.77
    N,N-dimethylaniline 317.15
    acrylonitrile 356.99
    aniline 342.97
    1,3-propanediol 85.07
    bromobenzene 708.49
    dibromomethane 975.04
    1,1,2,2-tetrachloroethane 1361.07
    2-methyl-cyclohexyl acetate 322.88
    tetrabutyl urea 125.26
    diisobutyl methanol 115.53
    2-phenylethanol 222.34
    styrene 428.85
    dioctyl adipate 214.78
    dimethyl sulfate 329.54
    ethyl butyrate 566.64
    methyl lactate 108.04
    butyl lactate 104.52
    diethyl carbonate 363.09
    propanediol butyl ether 78.45
    triethyl orthoformate 377.67
    p-tert-butyltoluene 134.58
    methyl 4-tert-butylbenzoate 221.96
    morpholine 1376.99
    tert-butylamine 120.91
    n-dodecanol 38.26
    dimethoxymethane 938.49
    ethylene carbonate 296.88
    cyrene 178.36
    2-ethoxyethyl acetate 465.66
    2-ethylhexyl acetate 554.06
    1,2,4-trichlorobenzene 509.83
    4-methylpyridine 924.34
    dibutyl ether 344.48
    2,6-dimethyl-4-heptanol 115.53
    DEF 846.41
    dimethyl isosorbide 605.98
    tetrachloroethylene 721.16
    eugenol 180.97
    triacetin 270.67
    span 80 154.0
    1,4-butanediol 30.89
    1,1-dichloroethane 833.6
    2-methyl-1-pentanol 136.15
    methyl formate 148.51
    2-methyl-1-butanol 130.95
    n-decane 22.68
    butyronitrile 305.0
    3,7-dimethyl-1-octanol 85.79
    1-chlorooctane 104.54
    1-chlorotetradecane 48.76
    n-nonane 21.96
    undecane 16.58
    tert-butylcyclohexane 91.05
    cyclooctane 72.41
    cyclopentanol 108.89
    tetrahydropyran 1438.65
    tert-amyl methyl ether 452.54
    2,5,8-trioxanonane 588.94
    1-hexene 439.93
    2-isopropoxyethanol 179.82
    2,2,2-trifluoroethanol 35.3
    methyl butyrate 454.25

    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