2,3,5-Trimethylphenol

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  • Identifiers

    CAS number
    697-82-5

    Molecular formula
    C9H12O

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 76.42%
    Woody 67.86%
    Spicy 57.64%
    Smoky 52.27%
    Leathery 51.65%
    Medicinal 50.91%
    Dry 41.47%
    Burnt 38.34%
    Animal 36.28%
    Musty 30.48%

     

    Flavor
    Phenolic 57.02%
    Medicinal 41.53%
    Woody 34.81%
    Smoke 34.19%
    Smoky 32.78%
    Leather 31.57%
    Bacon 30.56%
    Musty 30.2%
    Camphor 29.77%
    Spice 26.49%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    10.2 (weak base)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    234°C

    Flash point

    • 97.37 ˚C est.

  • Synonyms

    • 2,3,5-TRIMETHYLPHENOL
    • 697-82-5
    • Isopseudocumenol
    • Phenol, 2,3,5-trimethyl-
    • 1-Hydroxy-2,3,5-trimethylbenzene
    • 6-HYDROXYPSEUDOCUMENE
    • Phenol, 2,3,5(or 3,4,5)-trimethyl-
    • MFCD00002228
    • 70969-66-3
    • DTXSID3047184
    • CHEBI:38570
    • 1S1061ZBQ1
    • NSC 5296
    • NSC-5296
    • EINECS 211-806-9
    • DTXCID1027184
    • METACRESOL IMPURITY M [EP IMPURITY]
    • 2,3,5-Trimethylphenol 100 microg/mL in Methanol
    • METACRESOL IMPURITY M (EP IMPURITY)
    • 2,3,5-Trimethyphenol
    • UNII-1S1061ZBQ1
    • NSC5296
    • Phenol,3,5-trimethyl-
    • 2,3,5-trimethyl-phenol
    • Phenol, 2,3,5trimethyl
    • 2, 3, 5-Trimethylphenol
    • SCHEMBL205747
    • 1Hydroxy2,3,5trimethylbenzene
    • CHEMBL3182604
    • 2,3,5-Trimethylphenol, 99%
    • STR04504
    • Tox21_302716
    • AKOS000274544
    • CCG-302509
    • CS-W016528
    • HY-W015812
    • NCGC00256639-01
    • AC-10653
    • CAS-697-82-5
    • DB-025388
    • NS00006029
    • T0485
    • EN300-22345
    • A836645
    • Q27117905
    • F0001-1811
    • Z147642480
    • 2,3,5-Trimethylphenol, PESTANAL(R), analytical standard
    • 211-806-9

  • Applications

    2,3,5-Trimethylphenol (CAS 697-82-5) is used as a chemical intermediate in organic synthesis, serving as a building block for specialty dyes, pigments, fragrance compounds, and agrochemicals. It is also evaluated as an odorant and potential fixative in perfumery, contributing distinctive aroma notes to fragrance formulations. In coatings and inks, it may be used as a precursor for resin modifiers or as a starting material for further functionalization. The compound can also participate in polymer and plastics chemistry as an intermediate toward antioxidant stabilizers or other specialty additives. Where applicable, its use is governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3439.67
    methanol 3666.01
    isopropanol 2515.65
    water 10.65
    ethyl acetate 2302.84
    n-propanol 2862.9
    acetone 3183.05
    n-butanol 2076.1
    acetonitrile 4922.98
    DMF 2089.99
    toluene 739.02
    isobutanol 1771.99
    1,4-dioxane 6450.24
    methyl acetate 2277.69
    THF 7014.44
    2-butanone 2367.66
    n-pentanol 1469.83
    sec-butanol 1830.48
    n-hexane 870.2
    ethylene glycol 317.44
    NMP 1327.91
    cyclohexane 585.7
    DMSO 2262.41
    n-butyl acetate 1305.49
    n-octanol 731.44
    chloroform 2898.46
    n-propyl acetate 1252.11
    acetic acid 1141.52
    dichloromethane 2743.86
    cyclohexanone 2350.47
    propylene glycol 354.47
    isopropyl acetate 1076.6
    DMAc 608.44
    2-ethoxyethanol 1612.5
    isopentanol 1288.51
    n-heptane 375.28
    ethyl formate 1359.19
    1,2-dichloroethane 2221.5
    n-hexanol 1829.76
    2-methoxyethanol 2223.76
    isobutyl acetate 673.03
    tetrachloromethane 759.99
    n-pentyl acetate 698.53
    transcutol 1756.13
    n-heptanol 765.37
    ethylbenzene 465.22
    MIBK 979.19
    2-propoxyethanol 2046.79
    tert-butanol 2536.31
    MTBE 2717.4
    2-butoxyethanol 935.23
    propionic acid 1251.01
    o-xylene 362.25
    formic acid 427.59
    diethyl ether 4282.47
    m-xylene 501.42
    p-xylene 515.62
    chlorobenzene 795.54
    dimethyl carbonate 498.89
    n-octane 186.78
    formamide 883.93
    cyclopentanone 2946.24
    2-pentanone 2003.05
    anisole 863.69
    cyclopentyl methyl ether 2693.94
    gamma-butyrolactone 3125.47
    1-methoxy-2-propanol 1660.37
    pyridine 1824.31
    3-pentanone 1325.58
    furfural 1241.9
    n-dodecane 111.37
    diethylene glycol 918.18
    diisopropyl ether 952.3
    tert-amyl alcohol 1530.79
    acetylacetone 1168.87
    n-hexadecane 123.01
    acetophenone 470.07
    methyl propionate 1528.65
    isopentyl acetate 922.6
    trichloroethylene 2360.31
    n-nonanol 593.5
    cyclohexanol 1384.72
    benzyl alcohol 524.5
    2-ethylhexanol 804.63
    isooctanol 565.89
    dipropyl ether 1366.16
    1,2-dichlorobenzene 505.93
    ethyl lactate 316.79
    propylene carbonate 1038.34
    n-methylformamide 1959.08
    2-pentanol 1488.92
    n-pentane 606.58
    1-propoxy-2-propanol 1180.69
    1-methoxy-2-propyl acetate 813.54
    2-(2-methoxypropoxy) propanol 434.92
    mesitylene 310.81
    ε-caprolactone 1731.56
    p-cymene 213.01
    epichlorohydrin 3635.43
    1,1,1-trichloroethane 1931.6
    2-aminoethanol 773.02
    morpholine-4-carbaldehyde 1751.21
    sulfolane 2061.95
    2,2,4-trimethylpentane 179.02
    2-methyltetrahydrofuran 4667.09
    n-hexyl acetate 1014.46
    isooctane 200.03
    2-(2-butoxyethoxy)ethanol 776.86
    sec-butyl acetate 672.33
    tert-butyl acetate 1056.94
    decalin 225.04
    glycerin 365.82
    diglyme 1363.33
    acrylic acid 695.58
    isopropyl myristate 353.91
    n-butyric acid 1493.54
    acetyl acetate 679.76
    di(2-ethylhexyl) phthalate 191.51
    ethyl propionate 974.85
    nitromethane 2783.05
    1,2-diethoxyethane 1406.72
    benzonitrile 702.31
    trioctyl phosphate 201.4
    1-bromopropane 1869.06
    gamma-valerolactone 2847.24
    n-decanol 443.55
    triethyl phosphate 243.09
    4-methyl-2-pentanol 681.37
    propionitrile 2929.79
    vinylene carbonate 838.41
    1,1,2-trichlorotrifluoroethane 765.67
    DMS 480.3
    cumene 295.73
    2-octanol 549.52
    2-hexanone 1430.87
    octyl acetate 475.32
    limonene 365.79
    1,2-dimethoxyethane 2644.23
    ethyl orthosilicate 257.93
    tributyl phosphate 219.81
    diacetone alcohol 934.68
    N,N-dimethylaniline 441.72
    acrylonitrile 2385.97
    aniline 803.52
    1,3-propanediol 1214.95
    bromobenzene 728.19
    dibromomethane 2151.45
    1,1,2,2-tetrachloroethane 1767.71
    2-methyl-cyclohexyl acetate 441.76
    tetrabutyl urea 257.86
    diisobutyl methanol 406.84
    2-phenylethanol 641.27
    styrene 529.15
    dioctyl adipate 321.16
    dimethyl sulfate 521.08
    ethyl butyrate 748.75
    methyl lactate 398.07
    butyl lactate 345.93
    diethyl carbonate 402.47
    propanediol butyl ether 513.03
    triethyl orthoformate 436.95
    p-tert-butyltoluene 234.4
    methyl 4-tert-butylbenzoate 401.95
    morpholine 5862.83
    tert-butylamine 1661.05
    n-dodecanol 338.31
    dimethoxymethane 2208.74
    ethylene carbonate 938.38
    cyrene 377.28
    2-ethoxyethyl acetate 735.88
    2-ethylhexyl acetate 710.75
    1,2,4-trichlorobenzene 495.18
    4-methylpyridine 1656.18
    dibutyl ether 932.24
    2,6-dimethyl-4-heptanol 406.84
    DEF 1395.45
    dimethyl isosorbide 731.37
    tetrachloroethylene 1217.44
    eugenol 383.06
    triacetin 370.79
    span 80 447.13
    1,4-butanediol 469.95
    1,1-dichloroethane 2495.21
    2-methyl-1-pentanol 901.18
    methyl formate 1408.3
    2-methyl-1-butanol 1301.65
    n-decane 202.37
    butyronitrile 2581.45
    3,7-dimethyl-1-octanol 507.12
    1-chlorooctane 568.44
    1-chlorotetradecane 210.47
    n-nonane 221.79
    undecane 146.71
    tert-butylcyclohexane 244.93
    cyclooctane 229.55
    cyclopentanol 1710.3
    tetrahydropyran 5601.86
    tert-amyl methyl ether 1344.9
    2,5,8-trioxanonane 744.93
    1-hexene 1760.21
    2-isopropoxyethanol 1055.08
    2,2,2-trifluoroethanol 376.89
    methyl butyrate 1182.8

    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