3-Methoxy-5-Methylphenol

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  • Identifiers

    CAS number
    3209-13-0

    Molecular formula
    C8H10O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 68.43%
    Woody 65.81%
    Sweet 65.75%
    Fruity 61.59%
    Spicy 43.27%
    Medicinal 41.75%
    Powdery 34.36%
    Dry 33.9%
    Vanilla 33.45%
    Smoky 33.29%

     

    Flavor
    Phenolic 54.53%
    Woody 40.94%
    Bitter 34.94%
    Medicinal 34.75%
    Smoky 33.49%
    Spice 32.43%
    Musty 31.33%
    Leather 29.88%
    Smoke 29.69%
    Bacon 27.8%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    9.56 (weak base)

    Molecular weight
    138.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    253°C

    Flash point

    • 95.2 ˚C est.

  • Synonyms

    • 3-Methoxy-5-methylphenol
    • 3209-13-0
    • 3-Hydroxy-5-methoxytoluene
    • Phenol, 3-methoxy-5-methyl-
    • Orcinol monomethyl ether
    • 5-Methoxy-m-cresol
    • O-Methylorcinol
    • Orsin Monomethyl Ether
    • UNII-UYA9W3L847
    • MFCD00059261
    • UYA9W3L847
    • DTXSID1047443
    • 3-methyl-5-methoxyphenol
    • EINECS 221-716-1
    • 3-methoxy-5-hydroxytoluene
    • M-CRESOL, 5-METHOXY-
    • DTXCID9027443
    • NOTCZLKDULMKBR-UHFFFAOYSA-
    • 3-methoxy-5-methyl-phenol
    • 5-methyl-3-methoxy-phenol
    • SCHEMBL296714
    • YSZC2042
    • CHEMBL3187650
    • 3-Methoxy-5-methylphenol, 97%
    • CHEBI:167432
    • 5-methylresorcinol monomethyl ether
    • Tox21_302551
    • AKOS006220958
    • NCGC00256686-01
    • SY050536
    • TS-01782
    • CAS-3209-13-0
    • DB-048154
    • CS-0181797
    • M0895
    • NS00012822
    • Q27291330
    • 221-716-1

  • Applications

    3-Methoxy-5-Methylphenol (CAS 3209-13-0) finds use across several industrial sectors as an intermediate and fragrance-related chemical: in perfumery and flavor applications as a fragrance ingredient or aroma precursor; in cosmetics/personal care as a fragrance component; in cleaning products as an odorant or fragrance additive; in polymer and coatings formulations as a stabilizer or antioxidant additive to improve thermal and oxidative stability; in general industrial manufacturing as an intermediate for the synthesis of more complex flavor/fragrance compounds or specialty polymers; in coatings/inks as a scent additive or resin modifier.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1174.8
    methanol 1162.09
    isopropanol 983.86
    water 6.96
    ethyl acetate 683.72
    n-propanol 913.19
    acetone 1396.86
    n-butanol 679.37
    acetonitrile 1056.59
    DMF 1343.54
    toluene 135.37
    isobutanol 593.8
    1,4-dioxane 1427.41
    methyl acetate 780.73
    THF 2323.19
    2-butanone 716.99
    n-pentanol 427.24
    sec-butanol 706.76
    n-hexane 73.59
    ethylene glycol 562.25
    NMP 626.22
    cyclohexane 62.95
    DMSO 1699.48
    n-butyl acetate 208.31
    n-octanol 231.57
    chloroform 617.52
    n-propyl acetate 270.35
    acetic acid 749.69
    dichloromethane 547.7
    cyclohexanone 626.74
    propylene glycol 688.47
    isopropyl acetate 321.93
    DMAc 603.03
    2-ethoxyethanol 619.48
    isopentanol 435.01
    n-heptane 53.81
    ethyl formate 373.19
    1,2-dichloroethane 425.95
    n-hexanol 511.0
    2-methoxyethanol 1319.85
    isobutyl acetate 174.21
    tetrachloromethane 118.86
    n-pentyl acetate 142.5
    transcutol 678.93
    n-heptanol 193.21
    ethylbenzene 79.5
    MIBK 353.9
    2-propoxyethanol 730.41
    tert-butanol 1013.68
    MTBE 569.82
    2-butoxyethanol 293.89
    propionic acid 650.8
    o-xylene 90.68
    formic acid 294.03
    diethyl ether 719.01
    m-xylene 128.35
    p-xylene 94.07
    chlorobenzene 169.41
    dimethyl carbonate 310.21
    n-octane 26.69
    formamide 373.04
    cyclopentanone 996.76
    2-pentanone 650.55
    anisole 262.81
    cyclopentyl methyl ether 730.06
    gamma-butyrolactone 1029.8
    1-methoxy-2-propanol 1067.9
    pyridine 351.86
    3-pentanone 399.26
    furfural 535.38
    n-dodecane 27.04
    diethylene glycol 698.29
    diisopropyl ether 168.98
    tert-amyl alcohol 589.89
    acetylacetone 622.57
    n-hexadecane 29.92
    acetophenone 167.79
    methyl propionate 601.14
    isopentyl acetate 179.13
    trichloroethylene 573.23
    n-nonanol 183.72
    cyclohexanol 484.39
    benzyl alcohol 198.28
    2-ethylhexanol 191.92
    isooctanol 143.45
    dipropyl ether 242.86
    1,2-dichlorobenzene 145.38
    ethyl lactate 181.7
    propylene carbonate 429.82
    n-methylformamide 731.98
    2-pentanol 486.12
    n-pentane 75.03
    1-propoxy-2-propanol 400.65
    1-methoxy-2-propyl acetate 278.63
    2-(2-methoxypropoxy) propanol 235.71
    mesitylene 83.22
    ε-caprolactone 478.44
    p-cymene 56.84
    epichlorohydrin 1050.47
    1,1,1-trichloroethane 448.08
    2-aminoethanol 679.37
    morpholine-4-carbaldehyde 718.83
    sulfolane 1026.31
    2,2,4-trimethylpentane 39.65
    2-methyltetrahydrofuran 1075.97
    n-hexyl acetate 278.77
    isooctane 40.57
    2-(2-butoxyethoxy)ethanol 347.64
    sec-butyl acetate 173.87
    tert-butyl acetate 362.32
    decalin 37.77
    glycerin 712.95
    diglyme 579.14
    acrylic acid 510.24
    isopropyl myristate 113.82
    n-butyric acid 568.86
    acetyl acetate 330.42
    di(2-ethylhexyl) phthalate 89.01
    ethyl propionate 265.45
    nitromethane 1179.95
    1,2-diethoxyethane 232.43
    benzonitrile 194.19
    trioctyl phosphate 86.45
    1-bromopropane 311.19
    gamma-valerolactone 929.95
    n-decanol 143.09
    triethyl phosphate 87.87
    4-methyl-2-pentanol 230.32
    propionitrile 579.95
    vinylene carbonate 338.17
    1,1,2-trichlorotrifluoroethane 545.68
    DMS 208.97
    cumene 66.25
    2-octanol 149.65
    2-hexanone 325.83
    octyl acetate 148.17
    limonene 95.42
    1,2-dimethoxyethane 774.36
    ethyl orthosilicate 85.46
    tributyl phosphate 89.11
    diacetone alcohol 504.13
    N,N-dimethylaniline 154.14
    acrylonitrile 609.95
    aniline 233.27
    1,3-propanediol 772.02
    bromobenzene 147.49
    dibromomethane 371.6
    1,1,2,2-tetrachloroethane 467.88
    2-methyl-cyclohexyl acetate 134.58
    tetrabutyl urea 113.0
    diisobutyl methanol 117.04
    2-phenylethanol 209.63
    styrene 94.02
    dioctyl adipate 140.68
    dimethyl sulfate 437.9
    ethyl butyrate 159.78
    methyl lactate 353.76
    butyl lactate 129.28
    diethyl carbonate 110.51
    propanediol butyl ether 305.01
    triethyl orthoformate 109.91
    p-tert-butyltoluene 65.13
    methyl 4-tert-butylbenzoate 179.36
    morpholine 1352.84
    tert-butylamine 483.01
    n-dodecanol 114.5
    dimethoxymethane 1015.75
    ethylene carbonate 316.69
    cyrene 236.25
    2-ethoxyethyl acetate 185.1
    2-ethylhexyl acetate 128.39
    1,2,4-trichlorobenzene 165.66
    4-methylpyridine 358.08
    dibutyl ether 181.83
    2,6-dimethyl-4-heptanol 117.04
    DEF 467.1
    dimethyl isosorbide 334.74
    tetrachloroethylene 275.99
    eugenol 189.68
    triacetin 200.89
    span 80 219.22
    1,4-butanediol 330.57
    1,1-dichloroethane 526.73
    2-methyl-1-pentanol 270.74
    methyl formate 608.39
    2-methyl-1-butanol 412.03
    n-decane 42.17
    butyronitrile 527.1
    3,7-dimethyl-1-octanol 175.9
    1-chlorooctane 135.46
    1-chlorotetradecane 58.6
    n-nonane 43.5
    undecane 33.22
    tert-butylcyclohexane 49.62
    cyclooctane 28.91
    cyclopentanol 700.19
    tetrahydropyran 1064.57
    tert-amyl methyl ether 354.57
    2,5,8-trioxanonane 391.16
    1-hexene 205.58
    2-isopropoxyethanol 386.06
    2,2,2-trifluoroethanol 267.15
    methyl butyrate 318.12

    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