Phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis-, (R*,S*)-

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  • Identifiers

    Molecular formula
    C18H22O2

    SMILES
    CC[C@H](C1=CC=C(C=C1)O)C(CC)C2=CC=C(C=C2)O

  • Odor profile

    Phenolic 58.15%
    Spicy 44.49%
    Animal 39.14%
    Leathery 34.93%
    Medicinal 31.9%
    Smoky 31.87%
    Woody 27.94%
    Balsamic 26.9%
    Burnt 26.09%
    Dry 22.52%

    Scent© AI

  • Properties

    XLogP3-AA
    5.2

    Molecular weight
    270.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    402°C

    Melting point expt.

    • 185 undefined
    • 185-188 °C
    • CRYSTALS; MP: 137-139 °C /DIACETATE/
    • CRYSTALS FROM PETROLEUM ETHER; MP: 127-128 °C /DIPROPIONATE/

    Flash point est.
    194.6 ˚C

    Solubility expt.

    • FREELY SOL IN ETHER; SOL IN ACETONE, ALCOHOL, METHANOL, DILUTE SOLN OF ALKALI HYDROXIDES, VEGETABLE OILS UPON SLIGHT WARMING; SLIGHTLY SOL IN BENZENE, CHLOROFORM; PRACTICALLY INSOL IN WATER, DIL MINERAL ACIDS

  • Synonyms

    • hexestrol
    • Phenol, 4,4'-(1,2-diethylethylene)di-, meso-
    • Sinestrol
    • Hexron
    • Erythro-hexestrol
    • 3,4-Bis(p-hydroxyphenyl)hexane
    • meso-Vitestrol
    • NSC-9894
    • Phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis-, (R*,S*)-
    • Dihydrostilbestrol, meso
    • (R*,S*)-4,4'-(1,2-diethyl-1,2-ethanediyl)bisphenol
    • Dihydrodiethylstilbestrol, meso
    • PBBGSZCBWVPOOL-QNSVNVJESA-N
    • Hexane, 3,4-bis(p-hydroxyphenyl)-, meso
    • .gamma.,.delta.-Di(p-hydroxyphenyl)-hexane, meso
    • 4,4'-(1,2-Diethylethylene)bis(phenol), (R*,S*)-
    • 4,4'-Dihydroxy-.gamma.,.delta.-diphenylhexane, meso
    • Bibenzyl, .alpha.,.alpha.'-diethyl-4,4'-dihydroxy-
    • 4,4'-Dihydroxy-.alpha.,.beta.-diethyldiphenylethane, meso
    • Phenol, 4,4'-(1,2-diethyl-1,2-ethylenediyl)bis-, (R*,S*)-

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 182.07
    methanol 216.33
    isopropanol 109.48
    water 0.02
    ethyl acetate 471.26
    n-propanol 281.15
    acetone 721.1
    n-butanol 131.27
    acetonitrile 188.98
    DMF 1072.86
    toluene 141.77
    isobutanol 110.25
    1,4-dioxane 481.2
    methyl acetate 451.75
    THF 1680.85
    2-butanone 690.4
    n-pentanol 88.33
    sec-butanol 115.93
    n-hexane 12.63
    ethylene glycol 13.61
    NMP 404.84
    cyclohexane 14.46
    DMSO 863.76
    n-butyl acetate 259.69
    n-octanol 30.4
    chloroform 632.69
    n-propyl acetate 214.68
    acetic acid 65.73
    dichloromethane 759.69
    cyclohexanone 526.73
    propylene glycol 38.73
    isopropyl acetate 228.35
    DMAc 649.0
    2-ethoxyethanol 193.03
    isopentanol 96.2
    n-heptane 6.82
    ethyl formate 124.19
    1,2-dichloroethane 759.12
    n-hexanol 95.91
    2-methoxyethanol 324.0
    isobutyl acetate 131.01
    tetrachloromethane 61.24
    n-pentyl acetate 119.11
    transcutol 602.43
    n-heptanol 42.64
    ethylbenzene 59.73
    MIBK 189.81
    2-propoxyethanol 252.47
    tert-butanol 180.68
    MTBE 477.9
    2-butoxyethanol 114.51
    propionic acid 120.71
    o-xylene 64.34
    formic acid 15.7
    diethyl ether 614.49
    m-xylene 74.92
    p-xylene 61.81
    chlorobenzene 160.02
    dimethyl carbonate 158.99
    n-octane 3.8
    formamide 82.07
    cyclopentanone 1019.64
    2-pentanone 488.86
    anisole 172.69
    cyclopentyl methyl ether 448.84
    gamma-butyrolactone 784.83
    1-methoxy-2-propanol 261.18
    pyridine 370.45
    3-pentanone 431.5
    furfural 320.57
    n-dodecane 2.63
    diethylene glycol 113.55
    diisopropyl ether 92.33
    tert-amyl alcohol 137.2
    acetylacetone 416.24
    n-hexadecane 3.28
    acetophenone 138.11
    methyl propionate 494.04
    isopentyl acetate 199.41
    trichloroethylene 910.83
    n-nonanol 33.24
    cyclohexanol 91.54
    benzyl alcohol 92.54
    2-ethylhexanol 59.02
    isooctanol 39.35
    dipropyl ether 153.06
    1,2-dichlorobenzene 133.74
    ethyl lactate 66.94
    propylene carbonate 225.72
    n-methylformamide 298.37
    2-pentanol 81.66
    n-pentane 7.03
    1-propoxy-2-propanol 164.95
    1-methoxy-2-propyl acetate 250.48
    2-(2-methoxypropoxy) propanol 106.62
    mesitylene 41.76
    ε-caprolactone 319.83
    p-cymene 35.43
    epichlorohydrin 1050.41
    1,1,1-trichloroethane 367.82
    2-aminoethanol 62.7
    morpholine-4-carbaldehyde 394.36
    sulfolane 736.57
    2,2,4-trimethylpentane 8.09
    2-methyltetrahydrofuran 692.16
    n-hexyl acetate 128.72
    isooctane 6.43
    2-(2-butoxyethoxy)ethanol 159.46
    sec-butyl acetate 140.63
    tert-butyl acetate 259.56
    decalin 11.17
    glycerin 47.24
    diglyme 367.78
    acrylic acid 69.12
    isopropyl myristate 47.84
    n-butyric acid 157.53
    acetyl acetate 156.26
    di(2-ethylhexyl) phthalate 43.6
    ethyl propionate 195.08
    nitromethane 340.16
    1,2-diethoxyethane 286.98
    benzonitrile 99.69
    trioctyl phosphate 32.43
    1-bromopropane 341.6
    gamma-valerolactone 715.55
    n-decanol 25.22
    triethyl phosphate 63.49
    4-methyl-2-pentanol 51.61
    propionitrile 237.19
    vinylene carbonate 164.2
    1,1,2-trichlorotrifluoroethane 323.15
    DMS 149.17
    cumene 37.68
    2-octanol 29.19
    2-hexanone 208.75
    octyl acetate 59.94
    limonene 51.11
    1,2-dimethoxyethane 444.49
    ethyl orthosilicate 62.57
    tributyl phosphate 42.61
    diacetone alcohol 212.65
    N,N-dimethylaniline 90.12
    acrylonitrile 236.5
    aniline 136.59
    1,3-propanediol 87.71
    bromobenzene 176.56
    dibromomethane 457.88
    1,1,2,2-tetrachloroethane 659.12
    2-methyl-cyclohexyl acetate 106.45
    tetrabutyl urea 55.16
    diisobutyl methanol 40.09
    2-phenylethanol 101.59
    styrene 78.11
    dioctyl adipate 72.99
    dimethyl sulfate 255.34
    ethyl butyrate 153.85
    methyl lactate 98.09
    butyl lactate 79.41
    diethyl carbonate 96.53
    propanediol butyl ether 77.54
    triethyl orthoformate 95.97
    p-tert-butyltoluene 37.33
    methyl 4-tert-butylbenzoate 109.94
    morpholine 665.61
    tert-butylamine 93.77
    n-dodecanol 19.21
    dimethoxymethane 804.98
    ethylene carbonate 151.36
    cyrene 110.95
    2-ethoxyethyl acetate 210.17
    2-ethylhexyl acetate 153.32
    1,2,4-trichlorobenzene 160.68
    4-methylpyridine 307.31
    dibutyl ether 85.32
    2,6-dimethyl-4-heptanol 40.09
    DEF 408.41
    dimethyl isosorbide 240.87
    tetrachloroethylene 339.74
    eugenol 96.67
    triacetin 124.42
    span 80 77.87
    1,4-butanediol 31.42
    1,1-dichloroethane 504.97
    2-methyl-1-pentanol 74.51
    methyl formate 168.87
    2-methyl-1-butanol 91.4
    n-decane 5.07
    butyronitrile 163.14
    3,7-dimethyl-1-octanol 42.25
    1-chlorooctane 33.31
    1-chlorotetradecane 11.81
    n-nonane 4.51
    undecane 3.56
    tert-butylcyclohexane 11.42
    cyclooctane 5.36
    cyclopentanol 137.35
    tetrahydropyran 641.1
    tert-amyl methyl ether 232.3
    2,5,8-trioxanonane 207.93
    1-hexene 79.91
    2-isopropoxyethanol 130.26
    2,2,2-trifluoroethanol 27.95
    methyl butyrate 221.9

    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