3,4-Dimethylbiphenyl

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  • Identifiers

    CAS number
    4433-11-8

    Molecular formula
    C14H14

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

  • Odor profile

    Floral 53.73%
    Woody 45.35%
    Green 44.04%
    Earthy 40.25%
    Geranium 36.68%
    Animal 35.92%
    Leathery 35.54%
    Herbal 33.58%
    Phenolic 33.22%
    Spicy 33.07%

    Scent© AI

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    8.19 (weak base)

    Molecular weight
    182.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    296°C

    Flash point est.
    126.76 ˚C

  • Synonyms

    • 3,4-DIMETHYLBIPHENYL
    • 1,2-dimethyl-4-phenylbenzene
    • 3,4-Dimethyl-1,1'-biphenyl
    • 4433-11-8
    • 1,1'-Biphenyl, 3,4-dimethyl-
    • JJ2R9BWN53
    • UNII-JJ2R9BWN53
    • DTXSID00196139
    • BIPHENYL, 3,4-DIMETHYL-
    • MFCD00628767
    • 3,4-dimethyl-biphenyl
    • DTXCID60118630
    • AKOS006275546

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 61.61
    methanol 37.67
    isopropanol 31.37
    water 0.03
    ethyl acetate 415.06
    n-propanol 63.91
    acetone 119.03
    n-butanol 57.26
    acetonitrile 143.64
    DMF 148.94
    toluene 321.35
    isobutanol 32.66
    1,4-dioxane 737.83
    methyl acetate 284.98
    THF 542.39
    2-butanone 265.04
    n-pentanol 50.08
    sec-butanol 44.99
    n-hexane 64.09
    ethylene glycol 6.76
    NMP 112.55
    cyclohexane 66.44
    DMSO 90.65
    n-butyl acetate 373.14
    n-octanol 30.56
    chloroform 592.33
    n-propyl acetate 209.77
    acetic acid 40.08
    dichloromethane 695.04
    cyclohexanone 264.19
    propylene glycol 13.52
    isopropyl acetate 197.63
    DMAc 220.69
    2-ethoxyethanol 99.14
    isopentanol 48.17
    n-heptane 52.48
    ethyl formate 97.52
    1,2-dichloroethane 611.04
    n-hexanol 90.79
    2-methoxyethanol 105.57
    isobutyl acetate 158.29
    tetrachloromethane 80.09
    n-pentyl acetate 104.38
    transcutol 670.88
    n-heptanol 33.03
    ethylbenzene 224.95
    MIBK 129.81
    2-propoxyethanol 157.23
    tert-butanol 56.98
    MTBE 221.57
    2-butoxyethanol 64.79
    propionic acid 55.77
    o-xylene 150.09
    formic acid 7.0
    diethyl ether 524.14
    m-xylene 144.83
    p-xylene 185.35
    chlorobenzene 205.26
    dimethyl carbonate 128.47
    n-octane 19.41
    formamide 26.5
    cyclopentanone 277.52
    2-pentanone 194.37
    anisole 401.23
    cyclopentyl methyl ether 218.73
    gamma-butyrolactone 270.85
    1-methoxy-2-propanol 83.0
    pyridine 629.57
    3-pentanone 263.69
    furfural 220.77
    n-dodecane 10.9
    diethylene glycol 64.87
    diisopropyl ether 128.01
    tert-amyl alcohol 67.02
    acetylacetone 241.59
    n-hexadecane 13.43
    acetophenone 221.54
    methyl propionate 254.45
    isopentyl acetate 319.2
    trichloroethylene 876.04
    n-nonanol 34.84
    cyclohexanol 48.85
    benzyl alcohol 106.47
    2-ethylhexanol 86.15
    isooctanol 33.14
    dipropyl ether 391.39
    1,2-dichlorobenzene 202.08
    ethyl lactate 51.23
    propylene carbonate 161.24
    n-methylformamide 55.53
    2-pentanol 39.96
    n-pentane 26.58
    1-propoxy-2-propanol 122.72
    1-methoxy-2-propyl acetate 319.2
    2-(2-methoxypropoxy) propanol 149.21
    mesitylene 100.84
    ε-caprolactone 230.03
    p-cymene 106.22
    epichlorohydrin 497.85
    1,1,1-trichloroethane 358.33
    2-aminoethanol 19.11
    morpholine-4-carbaldehyde 233.45
    sulfolane 196.59
    2,2,4-trimethylpentane 19.2
    2-methyltetrahydrofuran 319.6
    n-hexyl acetate 135.52
    isooctane 15.84
    2-(2-butoxyethoxy)ethanol 164.5
    sec-butyl acetate 183.39
    tert-butyl acetate 241.02
    decalin 53.14
    glycerin 19.51
    diglyme 464.42
    acrylic acid 46.03
    isopropyl myristate 95.45
    n-butyric acid 87.49
    acetyl acetate 226.68
    di(2-ethylhexyl) phthalate 70.06
    ethyl propionate 250.63
    nitromethane 133.73
    1,2-diethoxyethane 583.06
    benzonitrile 128.67
    trioctyl phosphate 36.26
    1-bromopropane 339.26
    gamma-valerolactone 300.05
    n-decanol 29.4
    triethyl phosphate 122.44
    4-methyl-2-pentanol 33.35
    propionitrile 161.84
    vinylene carbonate 153.51
    1,1,2-trichlorotrifluoroethane 151.94
    DMS 216.07
    cumene 131.58
    2-octanol 24.02
    2-hexanone 190.11
    octyl acetate 89.39
    limonene 127.74
    1,2-dimethoxyethane 381.23
    ethyl orthosilicate 126.82
    tributyl phosphate 57.6
    diacetone alcohol 119.34
    N,N-dimethylaniline 225.49
    acrylonitrile 179.08
    aniline 153.08
    1,3-propanediol 30.93
    bromobenzene 298.7
    dibromomethane 453.72
    1,1,2,2-tetrachloroethane 595.48
    2-methyl-cyclohexyl acetate 199.47
    tetrabutyl urea 73.95
    diisobutyl methanol 67.05
    2-phenylethanol 131.01
    styrene 277.87
    dioctyl adipate 136.94
    dimethyl sulfate 121.97
    ethyl butyrate 328.49
    methyl lactate 48.15
    butyl lactate 52.79
    diethyl carbonate 216.95
    propanediol butyl ether 41.17
    triethyl orthoformate 208.68
    p-tert-butyltoluene 107.79
    methyl 4-tert-butylbenzoate 162.25
    morpholine 536.1
    tert-butylamine 46.2
    n-dodecanol 26.07
    dimethoxymethane 258.78
    ethylene carbonate 131.0
    cyrene 99.25
    2-ethoxyethyl acetate 232.76
    2-ethylhexyl acetate 300.31
    1,2,4-trichlorobenzene 237.0
    4-methylpyridine 377.4
    dibutyl ether 188.64
    2,6-dimethyl-4-heptanol 67.05
    DEF 227.72
    dimethyl isosorbide 332.7
    tetrachloroethylene 336.8
    eugenol 121.93
    triacetin 169.52
    span 80 89.93
    1,4-butanediol 12.34
    1,1-dichloroethane 302.96
    2-methyl-1-pentanol 58.19
    methyl formate 47.04
    2-methyl-1-butanol 47.57
    n-decane 18.45
    butyronitrile 127.65
    3,7-dimethyl-1-octanol 54.26
    1-chlorooctane 68.42
    1-chlorotetradecane 35.33
    n-nonane 17.59
    undecane 13.57
    tert-butylcyclohexane 50.73
    cyclooctane 34.46
    cyclopentanol 39.76
    tetrahydropyran 484.18
    tert-amyl methyl ether 182.63
    2,5,8-trioxanonane 327.11
    1-hexene 186.9
    2-isopropoxyethanol 82.49
    2,2,2-trifluoroethanol 16.99
    methyl butyrate 233.06

    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

Botanical

Name CAS Botanical Proportion
Artabotrys hexapetalus flower headspace (China) Artabotrys hexapetalus (L.) f. Bhandari, fam. Annonaceae 0.42%