4-(1-Phenylethyl)-1,3-benzenediol

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  • Identifiers

    CAS number
    85-27-8

    Molecular formula
    C14H14O2

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 71.19%
    Spicy 47.95%
    Medicinal 41.55%
    Smoky 39.91%
    Animal 32.38%
    Leathery 32.28%
    Burnt 31.3%
    Odorless 27.84%
    Balsamic 26.31%
    Woody 25.43%

     

    Flavor
    Bitter 47.72%
    Phenolic 37.23%
    Medicinal 33.84%
    Woody 24.75%
    Herbal 23.54%
    Mild 23.44%
    Creosote 23.1%
    Thymol 21.65%
    Guaiacol 20.95%
    Cedarleaf 20.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    10.94 (weak base)

    Molecular weight
    214.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    366°C

    Flash point

    • 184.8 ˚C est.

  • Synonyms

    • 85-27-8
    • Phenylethyl resorcinol
    • 4-(1-phenylethyl)-1,3-Benzenediol
    • 1,3-Benzenediol, 4-(1-phenylethyl)-
    • Symwhite 377
    • G37UFG162O
    • RefChem:173057
    • (+-)-PHENYLETHYL RESORCINOL
    • 4-(1-phenylethyl)benzene-1,3-diol
    • 4-(alpha-Methylbenzyl)resorcinol
    • (+/-)-Phenylethyl resorcinol
    • MFCD21648466
    • UNII-G37UFG162O
    • 4-(1-phenylethyl)resorcinol
    • Phenylethyl resorcinol, (+/-)
    • 4-(alpha-Methylbenzyl)resorcinol; 4-(1-Phenylethyl)benzene-1,3-diol; 4-(1-Phenylethyl)resorcin; 4-(1-Phenylethyl)resorcinol; 4-(alpha-Methylbenzyl)resorcinol;
    • 2,4-dihydroxydiphenylethane
    • 1,3-Benzenediol, 4-(1-phenylethyl)-, (+/-)
    • 4-(a-Methylbenzyl)resorcinol
    • SCHEMBL369337
    • 4-(|A-Methylbenzyl)resorcinol
    • orb1905860
    • SCHEMBL4656473
    • CHEMBL3961037
    • SCHEMBL29394395
    • PQSXNIMHIHYFEE-UHFFFAOYSA-N
    • BDBM240731
    • DTXSID501005319
    • MSK14269
    • BBL102852
    • EBC-26221
    • STL556660
    • AKOS017343138
    • DB14120
    • DS-8462
    • PHENYLETHYL RESORCINOL, (+/-)-
    • DA-17621
    • SY056470
    • HY-125809
    • CS-0099447
    • M2754
    • NS00022840
    • D78256
    • EN300-7418385
    • AU-004/43508421
    • F363978
    • Q27278684
    • US9422261, 4-(1- phenylethyl) benzene-1,3- diol
    • 1,3-BENZENEDIOL, 4-(1-PHENYLETHYL)-, (+/-)-
    • 85-27-8

  • Applications

    4-(1-Phenylethyl)-1,3-benzenediol (CAS 85-27-8) is primarily an organic synthesis intermediate with potential applications across fragrance, cosmetics/personal care, coatings and inks, polymers/plastics, pharmaceuticals, and dye/pigment manufacture.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1382.69
    methanol 1633.26
    isopropanol 695.12
    water 0.36
    ethyl acetate 1312.64
    n-propanol 1268.12
    acetone 1961.49
    n-butanol 544.43
    acetonitrile 1391.56
    DMF 1521.77
    toluene 98.55
    isobutanol 417.82
    1,4-dioxane 1605.8
    methyl acetate 1135.04
    THF 2807.32
    2-butanone 1311.2
    n-pentanol 239.04
    sec-butanol 314.74
    n-hexane 2.11
    ethylene glycol 148.4
    NMP 422.7
    cyclohexane 2.86
    DMSO 2588.33
    n-butyl acetate 303.62
    n-octanol 54.17
    chloroform 120.83
    n-propyl acetate 331.82
    acetic acid 382.81
    dichloromethane 113.31
    cyclohexanone 681.66
    propylene glycol 250.18
    isopropyl acetate 426.6
    DMAc 659.38
    2-ethoxyethanol 582.51
    isopentanol 299.19
    n-heptane 3.37
    ethyl formate 358.63
    1,2-dichloroethane 292.25
    n-hexanol 218.35
    2-methoxyethanol 1517.13
    isobutyl acetate 165.69
    tetrachloromethane 16.56
    n-pentyl acetate 99.72
    transcutol 1291.19
    n-heptanol 78.4
    ethylbenzene 35.15
    MIBK 342.24
    2-propoxyethanol 617.13
    tert-butanol 686.31
    MTBE 572.93
    2-butoxyethanol 201.18
    propionic acid 478.03
    o-xylene 39.18
    formic acid 167.37
    diethyl ether 870.8
    m-xylene 60.93
    p-xylene 36.44
    chlorobenzene 89.43
    dimethyl carbonate 327.47
    n-octane 1.5
    formamide 919.85
    cyclopentanone 1474.9
    2-pentanone 1004.51
    anisole 200.85
    cyclopentyl methyl ether 569.44
    gamma-butyrolactone 1408.97
    1-methoxy-2-propanol 934.71
    pyridine 552.88
    3-pentanone 517.1
    furfural 462.08
    n-dodecane 2.28
    diethylene glycol 433.47
    diisopropyl ether 104.83
    tert-amyl alcohol 332.57
    acetylacetone 761.52
    n-hexadecane 2.79
    acetophenone 141.41
    methyl propionate 986.01
    isopentyl acetate 226.38
    trichloroethylene 407.15
    n-nonanol 51.99
    cyclohexanol 197.41
    benzyl alcohol 135.35
    2-ethylhexanol 90.32
    isooctanol 62.99
    dipropyl ether 195.84
    1,2-dichlorobenzene 60.22
    ethyl lactate 110.47
    propylene carbonate 358.52
    n-methylformamide 1464.03
    2-pentanol 221.97
    n-pentane 1.82
    1-propoxy-2-propanol 334.61
    1-methoxy-2-propyl acetate 356.66
    2-(2-methoxypropoxy) propanol 175.19
    mesitylene 31.05
    ε-caprolactone 474.04
    p-cymene 24.27
    epichlorohydrin 1540.85
    1,1,1-trichloroethane 152.78
    2-aminoethanol 521.36
    morpholine-4-carbaldehyde 595.67
    sulfolane 1050.88
    2,2,4-trimethylpentane 3.83
    2-methyltetrahydrofuran 1101.87
    n-hexyl acetate 140.88
    isooctane 4.96
    2-(2-butoxyethoxy)ethanol 309.55
    sec-butyl acetate 182.21
    tert-butyl acetate 381.61
    decalin 4.25
    glycerin 289.36
    diglyme 629.19
    acrylic acid 279.48
    isopropyl myristate 54.28
    n-butyric acid 553.27
    acetyl acetate 287.49
    di(2-ethylhexyl) phthalate 47.18
    ethyl propionate 287.04
    nitromethane 1730.4
    1,2-diethoxyethane 408.22
    benzonitrile 136.15
    trioctyl phosphate 38.66
    1-bromopropane 85.56
    gamma-valerolactone 1248.13
    n-decanol 40.45
    triethyl phosphate 65.08
    4-methyl-2-pentanol 111.67
    propionitrile 680.91
    vinylene carbonate 256.51
    1,1,2-trichlorotrifluoroethane 438.76
    DMS 150.65
    cumene 23.51
    2-octanol 42.37
    2-hexanone 308.5
    octyl acetate 69.45
    limonene 38.49
    1,2-dimethoxyethane 900.34
    ethyl orthosilicate 61.57
    tributyl phosphate 47.7
    diacetone alcohol 474.52
    N,N-dimethylaniline 75.83
    acrylonitrile 761.08
    aniline 207.14
    1,3-propanediol 665.19
    bromobenzene 65.47
    dibromomethane 59.01
    1,1,2,2-tetrachloroethane 292.36
    2-methyl-cyclohexyl acetate 104.01
    tetrabutyl urea 59.45
    diisobutyl methanol 55.86
    2-phenylethanol 139.22
    styrene 45.61
    dioctyl adipate 79.41
    dimethyl sulfate 368.76
    ethyl butyrate 182.96
    methyl lactate 244.34
    butyl lactate 90.43
    diethyl carbonate 111.45
    propanediol butyl ether 154.65
    triethyl orthoformate 101.24
    p-tert-butyltoluene 27.04
    methyl 4-tert-butylbenzoate 115.21
    morpholine 2062.83
    tert-butylamine 233.91
    n-dodecanol 30.92
    dimethoxymethane 1494.32
    ethylene carbonate 249.5
    cyrene 147.75
    2-ethoxyethyl acetate 210.82
    2-ethylhexyl acetate 147.91
    1,2,4-trichlorobenzene 86.6
    4-methylpyridine 406.6
    dibutyl ether 96.01
    2,6-dimethyl-4-heptanol 55.86
    DEF 528.45
    dimethyl isosorbide 292.67
    tetrachloroethylene 146.24
    eugenol 118.95
    triacetin 132.0
    span 80 118.69
    1,4-butanediol 121.4
    1,1-dichloroethane 184.73
    2-methyl-1-pentanol 149.42
    methyl formate 767.25
    2-methyl-1-butanol 234.03
    n-decane 3.58
    butyronitrile 494.8
    3,7-dimethyl-1-octanol 65.1
    1-chlorooctane 26.53
    1-chlorotetradecane 10.54
    n-nonane 2.9
    undecane 2.87
    tert-butylcyclohexane 5.9
    cyclooctane 1.38
    cyclopentanol 313.76
    tetrahydropyran 1199.32
    tert-amyl methyl ether 236.69
    2,5,8-trioxanonane 360.4
    1-hexene 27.63
    2-isopropoxyethanol 284.96
    2,2,2-trifluoroethanol 107.36
    methyl butyrate 329.08

    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