4,5-Dimethylresorcinol

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  • Identifiers

    CAS number
    527-55-9

    Molecular formula
    C8H10O2

    SMILES
    CC1=CC(=CC(=C1C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 82.3%
    Woody 52.42%
    Medicinal 51.4%
    Smoky 49.2%
    Spicy 44.52%
    Burnt 41.91%
    Leathery 37.25%
    Dry 32.56%
    Musty 30.45%
    Sweet 29.2%

     

    Flavor
    Phenolic 60.89%
    Bitter 40.31%
    Medicinal 39.42%
    Smoke 33.57%
    Musty 32.6%
    Smoky 29.15%
    Medical 28.7%
    Mild 28.34%
    Leather 27.52%
    Bacon 27.4%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    11.17 (strong base)

    Molecular weight
    138.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    293°C

    Flash point

    • 126.04 ˚C est.

  • Synonyms

    • 4,5-DIMETHYLRESORCINOL
    • 527-55-9
    • 4-Methylorcinol
    • Resorcinol, 4,5-dimethyl-
    • 1,2-Dimethyl-3,5-dihydroxybenzene
    • 1,3-Dihydroxy-4,5-dimethylbenzene
    • 3,5-Dihydroxy-1,2-dimethylbenzene
    • W3FCQ2N8R4
    • NSC-243682
    • DTXSID40200663
    • RefChem:99909
    • DTXCID70123154
    • 4,5-dimethylbenzene-1,3-diol
    • o-Xylorcinol
    • 1,3-Benzenediol, 4,5-dimethyl-
    • 3,2-dimethylbenzene
    • 4,5-Dimethyl-1,3-benzenediol
    • 1,5-dihydroxybenzene
    • NSC 243682
    • Resorcinol,5-dimethyl-
    • UNII-W3FCQ2N8R4
    • SCHEMBL69242
    • 2,3-dimethyl-5-hydroxyphenol
    • orb1991965
    • SCHEMBL29429337
    • 4,5-Dimethyl-1,3-benzenediol #
    • 4,5-Dimethyl-1,3-dihydroxybenzene
    • NSC243682
    • 1,3-Dihydroxy-4,5-dimethyl benzene
    • AKOS006272741
    • FD67907
    • DB-071577
    • NS00032573
    • G85884
    • 527D559
    • 3,5-Dihydroxy-o-xylene;4,5-Dimethyl-1,3-benzenediol;4,5-Dimethylbenzene-1,3-diol;o-Xylorcinol
    • 527-55-9

  • Applications

    4,5-Dimethylresorcinol is a phenolic diol that serves primarily as a chemical intermediate in several industrial sectors. It is used as an intermediate in the synthesis of dyes and pigments for coatings, inks, and plastics; it can act as a precursor to UV stabilizers and antioxidants used in polymer formulations; it functions as a building block in fragrance and odorant synthesis; it serves as an intermediate in pharmaceutical and specialty chemical syntheses; and it may be used in cosmetics and personal care as a dye intermediate or processing aid in color formulations. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1101.95
    methanol 1289.33
    isopropanol 777.9
    water 9.35
    ethyl acetate 760.49
    n-propanol 870.25
    acetone 1329.98
    n-butanol 597.46
    acetonitrile 1138.59
    DMF 948.59
    toluene 62.25
    isobutanol 428.11
    1,4-dioxane 2047.28
    methyl acetate 752.75
    THF 3982.76
    2-butanone 818.86
    n-pentanol 393.07
    sec-butanol 500.31
    n-hexane 40.69
    ethylene glycol 190.28
    NMP 415.65
    cyclohexane 15.81
    DMSO 1468.97
    n-butyl acetate 225.17
    n-octanol 174.31
    chloroform 275.5
    n-propyl acetate 269.19
    acetic acid 381.24
    dichloromethane 242.82
    cyclohexanone 496.81
    propylene glycol 200.53
    isopropyl acetate 310.97
    DMAc 268.18
    2-ethoxyethanol 598.18
    isopentanol 350.39
    n-heptane 33.67
    ethyl formate 403.58
    1,2-dichloroethane 286.33
    n-hexanol 488.26
    2-methoxyethanol 1032.65
    isobutyl acetate 129.34
    tetrachloromethane 78.32
    n-pentyl acetate 130.94
    transcutol 436.67
    n-heptanol 197.31
    ethylbenzene 42.42
    MIBK 302.35
    2-propoxyethanol 733.67
    tert-butanol 800.17
    MTBE 584.32
    2-butoxyethanol 285.85
    propionic acid 412.52
    o-xylene 42.58
    formic acid 246.58
    diethyl ether 798.37
    m-xylene 67.54
    p-xylene 50.61
    chlorobenzene 80.07
    dimethyl carbonate 214.43
    n-octane 17.8
    formamide 533.22
    cyclopentanone 1143.95
    2-pentanone 681.93
    anisole 175.49
    cyclopentyl methyl ether 731.51
    gamma-butyrolactone 1250.9
    1-methoxy-2-propanol 763.87
    pyridine 297.03
    3-pentanone 342.84
    furfural 389.03
    n-dodecane 13.46
    diethylene glycol 489.05
    diisopropyl ether 157.32
    tert-amyl alcohol 462.4
    acetylacetone 524.84
    n-hexadecane 14.94
    acetophenone 104.71
    methyl propionate 523.88
    isopentyl acetate 163.53
    trichloroethylene 295.32
    n-nonanol 143.27
    cyclohexanol 258.8
    benzyl alcohol 115.86
    2-ethylhexanol 167.93
    isooctanol 136.57
    dipropyl ether 228.39
    1,2-dichlorobenzene 62.8
    ethyl lactate 108.26
    propylene carbonate 322.39
    n-methylformamide 850.02
    2-pentanol 368.52
    n-pentane 33.51
    1-propoxy-2-propanol 376.9
    1-methoxy-2-propyl acetate 241.39
    2-(2-methoxypropoxy) propanol 147.43
    mesitylene 47.76
    ε-caprolactone 367.29
    p-cymene 36.65
    epichlorohydrin 1182.19
    1,1,1-trichloroethane 241.97
    2-aminoethanol 378.51
    morpholine-4-carbaldehyde 528.73
    sulfolane 851.69
    2,2,4-trimethylpentane 19.21
    2-methyltetrahydrofuran 1420.17
    n-hexyl acetate 194.87
    isooctane 24.56
    2-(2-butoxyethoxy)ethanol 245.87
    sec-butyl acetate 143.95
    tert-butyl acetate 317.26
    decalin 15.9
    glycerin 262.52
    diglyme 397.82
    acrylic acid 238.15
    isopropyl myristate 78.73
    n-butyric acid 436.02
    acetyl acetate 233.54
    di(2-ethylhexyl) phthalate 51.72
    ethyl propionate 241.01
    nitromethane 1137.31
    1,2-diethoxyethane 238.25
    benzonitrile 113.48
    trioctyl phosphate 58.63
    1-bromopropane 204.8
    gamma-valerolactone 938.86
    n-decanol 108.22
    triethyl phosphate 61.56
    4-methyl-2-pentanol 193.53
    propionitrile 599.26
    vinylene carbonate 221.08
    1,1,2-trichlorotrifluoroethane 274.41
    DMS 118.29
    cumene 38.46
    2-octanol 130.04
    2-hexanone 333.61
    octyl acetate 106.65
    limonene 58.52
    1,2-dimethoxyethane 825.95
    ethyl orthosilicate 62.67
    tributyl phosphate 58.09
    diacetone alcohol 398.83
    N,N-dimethylaniline 92.91
    acrylonitrile 518.06
    aniline 141.9
    1,3-propanediol 592.75
    bromobenzene 58.39
    dibromomethane 180.56
    1,1,2,2-tetrachloroethane 222.88
    2-methyl-cyclohexyl acetate 97.73
    tetrabutyl urea 71.47
    diisobutyl methanol 100.48
    2-phenylethanol 163.3
    styrene 42.71
    dioctyl adipate 79.67
    dimethyl sulfate 270.11
    ethyl butyrate 143.23
    methyl lactate 199.22
    butyl lactate 91.52
    diethyl carbonate 83.27
    propanediol butyl ether 162.23
    triethyl orthoformate 86.83
    p-tert-butyltoluene 43.15
    methyl 4-tert-butylbenzoate 119.95
    morpholine 1828.39
    tert-butylamine 376.34
    n-dodecanol 80.35
    dimethoxymethane 1032.72
    ethylene carbonate 229.14
    cyrene 138.19
    2-ethoxyethyl acetate 169.12
    2-ethylhexyl acetate 116.19
    1,2,4-trichlorobenzene 69.51
    4-methylpyridine 261.12
    dibutyl ether 147.48
    2,6-dimethyl-4-heptanol 100.48
    DEF 336.07
    dimethyl isosorbide 262.12
    tetrachloroethylene 148.68
    eugenol 123.24
    triacetin 99.58
    span 80 136.7
    1,4-butanediol 195.6
    1,1-dichloroethane 326.17
    2-methyl-1-pentanol 226.86
    methyl formate 638.75
    2-methyl-1-butanol 302.25
    n-decane 23.59
    butyronitrile 551.44
    3,7-dimethyl-1-octanol 124.48
    1-chlorooctane 86.83
    1-chlorotetradecane 32.52
    n-nonane 23.75
    undecane 17.43
    tert-butylcyclohexane 23.33
    cyclooctane 9.63
    cyclopentanol 521.98
    tetrahydropyran 1270.1
    tert-amyl methyl ether 294.83
    2,5,8-trioxanonane 254.11
    1-hexene 142.93
    2-isopropoxyethanol 341.31
    2,2,2-trifluoroethanol 164.91
    methyl butyrate 279.3

    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