Orcinol

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  • Identifiers

    CAS number
    504-15-4

    Molecular formula
    C7H8O2

    SMILES
    CC1=CC(=CC(=C1)O)O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 76.41%
    Woody 51.56%
    Medicinal 45.14%
    Burnt 36.39%
    Smoky 34.56%
    Fruity 33.47%
    Spicy 33.04%
    Dry 31.23%
    Animal 30.87%
    Leathery 30.6%

     

    Flavor
    Phenolic 59.43%
    Bitter 41.96%
    Musty 37.24%
    Nutty 36.66%
    Medicinal 34.14%
    Medical 32.89%
    Leather 31.22%
    Woody 30.85%
    Smoke 29.6%
    Mild 27.52%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    11.0 (weak base)

    Molecular weight
    124.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    286°C

    Flash point

    • 127.73 ˚C est.

  • Synonyms

    • Orcinol
    • 3,5-Dihydroxytoluene
    • 504-15-4
    • 5-METHYLRESORCINOL
    • 1,3-Dihydroxy-5-methylbenzene
    • Orcin
    • 1,3-Benzenediol, 5-methyl-
    • 5-Methyl-1,3-benzenediol
    • 3-Hydroxy-5-methylphenol
    • 3,5-Toluenediol
    • DTXSID2060123
    • CHEBI:16536
    • NSC-12441
    • 534PMB3438
    • RefChem:168440
    • DTXCID0040830
    • 207-984-2
    • 5-methylbenzene-1,3-diol
    • 5-Methylresorcin
    • Resorcinol, 5-methyl-
    • MFCD00002291
    • 5-Methylresorcinol anhydrous
    • NSC 12441
    • 5-Methyl Resorcinol
    • 5-Methyl-1,3-dihydroxybenzene
    • 3,5-Dihydroxy-toluene
    • 5-Methyl-benzene-1,3-diol
    • 3,5-Dihydroxytoluene Anhydrous
    • Orcinol, 5-methylresorcinol
    • EINECS 207-984-2
    • BRN 1071903
    • Oricinol
    • Orcine
    • AI3-23954
    • UNII-534PMB3438
    • 5-methyl-resorcinol
    • resorcinol monohydrate
    • Orcinol, 97%
    • ORCINOL [MI]
    • 5-methylbenzen-1,3-diol
    • WLN: QR CQ E1
    • SCHEMBL68497
    • 4-06-00-05892 (Beilstein Handbook Reference)
    • 5-Methylresorcinol, anhydrous
    • SCHEMBL596855
    • CHEMBL110059
    • orb1303808
    • SCHEMBL2432721
    • SCHEMBL7722362
    • HMS5086A21
    • BB_NC-02805
    • HY-D0168
    • NSC12441
    • BBL027377
    • BDBM50104667
    • c0155
    • EBC-46087
    • s9329
    • SBB006928
    • STL146540
    • 1,?3-?Dihydroxy-?5-?methylbenzene
    • AKOS000280922
    • 1,5-DIHYDROXY-3-METHYLBENZENE
    • CCG-266088
    • CS-W008652
    • FD33936
    • AC-10290
    • AS-14515
    • ST058419
    • SY002780
    • DB-022064
    • M0426
    • M1235
    • NS00032059
    • EN300-67390
    • C00727
    • H11838
    • 153D395
    • 504M154
    • F005921
    • Q412476
    • F0001-1314
    • Z1079442080
    • 1,3-Dihydroxy-5-methylbenzene; 3,5-Dihydroxytoluene; 5-Methylresorcinol
    • InChI=1/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H
    • 504-15-4

  • Applications

    Orcinol (CAS 504-15-4) is used mainly as a chemical intermediate in the synthesis of dyes and pigments and as a precursor for phenolic resins and related polymeric materials; it also serves as a fragrance intermediate or odorant in perfumery and can be incorporated into cosmetics/personal care formulations as a fragrance or colorant building block; the compound is often evaluated as an intermediate in pharmaceutical and agrochemical development, and is encountered in various industrial manufacturing contexts as a versatile phenolic building block.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1403.02
    methanol 1474.29
    isopropanol 1002.74
    water 19.95
    ethyl acetate 436.91
    n-propanol 833.53
    acetone 1208.63
    n-butanol 625.11
    acetonitrile 823.01
    DMF 837.0
    toluene 26.93
    isobutanol 474.5
    1,4-dioxane 1115.31
    methyl acetate 470.46
    THF 2471.7
    2-butanone 449.12
    n-pentanol 401.08
    sec-butanol 508.9
    n-hexane 25.82
    ethylene glycol 460.79
    NMP 397.61
    cyclohexane 11.58
    DMSO 1452.66
    n-butyl acetate 162.14
    n-octanol 173.82
    chloroform 50.14
    n-propyl acetate 235.26
    acetic acid 894.84
    dichloromethane 53.89
    cyclohexanone 294.74
    propylene glycol 521.7
    isopropyl acetate 256.67
    DMAc 294.58
    2-ethoxyethanol 686.27
    isopentanol 396.59
    n-heptane 26.44
    ethyl formate 301.95
    1,2-dichloroethane 69.11
    n-hexanol 411.08
    2-methoxyethanol 1364.69
    isobutyl acetate 138.15
    tetrachloromethane 16.56
    n-pentyl acetate 108.59
    transcutol 950.18
    n-heptanol 149.38
    ethylbenzene 15.05
    MIBK 285.71
    2-propoxyethanol 771.3
    tert-butanol 936.53
    MTBE 404.79
    2-butoxyethanol 284.91
    propionic acid 523.25
    o-xylene 17.61
    formic acid 496.21
    diethyl ether 572.5
    m-xylene 33.34
    p-xylene 17.87
    chlorobenzene 29.03
    dimethyl carbonate 213.22
    n-octane 10.33
    formamide 590.13
    cyclopentanone 600.09
    2-pentanone 473.25
    anisole 99.43
    cyclopentyl methyl ether 461.31
    gamma-butyrolactone 840.83
    1-methoxy-2-propanol 1074.15
    pyridine 133.24
    3-pentanone 201.41
    furfural 309.76
    n-dodecane 11.53
    diethylene glycol 711.86
    diisopropyl ether 141.08
    tert-amyl alcohol 444.7
    acetylacetone 501.78
    n-hexadecane 12.38
    acetophenone 72.62
    methyl propionate 336.58
    isopentyl acetate 132.84
    trichloroethylene 82.19
    n-nonanol 145.48
    cyclohexanol 244.44
    benzyl alcohol 89.94
    2-ethylhexanol 140.57
    isooctanol 113.41
    dipropyl ether 207.84
    1,2-dichlorobenzene 25.29
    ethyl lactate 148.87
    propylene carbonate 330.57
    n-methylformamide 614.79
    2-pentanol 400.25
    n-pentane 30.47
    1-propoxy-2-propanol 439.35
    1-methoxy-2-propyl acetate 247.37
    2-(2-methoxypropoxy) propanol 234.89
    mesitylene 23.17
    ε-caprolactone 280.9
    p-cymene 21.95
    epichlorohydrin 607.53
    1,1,1-trichloroethane 67.84
    2-aminoethanol 653.73
    morpholine-4-carbaldehyde 526.85
    sulfolane 668.79
    2,2,4-trimethylpentane 14.84
    2-methyltetrahydrofuran 822.29
    n-hexyl acetate 209.66
    isooctane 22.94
    2-(2-butoxyethoxy)ethanol 403.74
    sec-butyl acetate 138.44
    tert-butyl acetate 319.96
    decalin 8.83
    glycerin 577.31
    diglyme 521.02
    acrylic acid 405.99
    isopropyl myristate 87.51
    n-butyric acid 490.27
    acetyl acetate 250.31
    di(2-ethylhexyl) phthalate 67.65
    ethyl propionate 197.51
    nitromethane 1224.66
    1,2-diethoxyethane 255.21
    benzonitrile 77.86
    trioctyl phosphate 70.56
    1-bromopropane 62.83
    gamma-valerolactone 705.45
    n-decanol 112.12
    triethyl phosphate 63.92
    4-methyl-2-pentanol 223.5
    propionitrile 363.21
    vinylene carbonate 219.08
    1,1,2-trichlorotrifluoroethane 260.02
    DMS 121.73
    cumene 16.68
    2-octanol 101.46
    2-hexanone 271.1
    octyl acetate 118.14
    limonene 38.98
    1,2-dimethoxyethane 812.03
    ethyl orthosilicate 65.04
    tributyl phosphate 78.39
    diacetone alcohol 459.14
    N,N-dimethylaniline 57.55
    acrylonitrile 317.67
    aniline 80.99
    1,3-propanediol 773.66
    bromobenzene 17.7
    dibromomethane 38.99
    1,1,2,2-tetrachloroethane 67.34
    2-methyl-cyclohexyl acetate 97.23
    tetrabutyl urea 93.03
    diisobutyl methanol 101.95
    2-phenylethanol 114.34
    styrene 15.93
    dioctyl adipate 110.22
    dimethyl sulfate 247.44
    ethyl butyrate 131.83
    methyl lactate 254.68
    butyl lactate 112.67
    diethyl carbonate 84.91
    propanediol butyl ether 294.65
    triethyl orthoformate 97.59
    p-tert-butyltoluene 27.21
    methyl 4-tert-butylbenzoate 126.8
    morpholine 1107.71
    tert-butylamine 431.2
    n-dodecanol 85.83
    dimethoxymethane 899.31
    ethylene carbonate 216.92
    cyrene 189.77
    2-ethoxyethyl acetate 169.74
    2-ethylhexyl acetate 85.37
    1,2,4-trichlorobenzene 33.18
    4-methylpyridine 121.02
    dibutyl ether 136.31
    2,6-dimethyl-4-heptanol 101.95
    DEF 255.32
    dimethyl isosorbide 348.05
    tetrachloroethylene 41.83
    eugenol 137.03
    triacetin 148.91
    span 80 213.39
    1,4-butanediol 294.65
    1,1-dichloroethane 82.59
    2-methyl-1-pentanol 217.4
    methyl formate 546.87
    2-methyl-1-butanol 320.74
    n-decane 17.96
    butyronitrile 367.64
    3,7-dimethyl-1-octanol 140.09
    1-chlorooctane 60.11
    1-chlorotetradecane 27.8
    n-nonane 17.71
    undecane 14.18
    tert-butylcyclohexane 15.22
    cyclooctane 6.37
    cyclopentanol 450.62
    tetrahydropyran 650.1
    tert-amyl methyl ether 217.16
    2,5,8-trioxanonane 401.76
    1-hexene 81.32
    2-isopropoxyethanol 412.97
    2,2,2-trifluoroethanol 270.68
    methyl butyrate 224.25

    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