3,4,5-Trimethylphenol

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  • Identifiers

    CAS number
    527-54-8

    Molecular formula
    C9H12O

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

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Phenolic 67.79%
    Woody 60.94%
    Leathery 48.58%
    Spicy 45.86%
    Medicinal 42.01%
    Dry 41.29%
    Smoky 41.14%
    Animal 38.57%
    Burnt 33.83%
    Musty 29.19%

     

    Flavor
    Phenolic 50.67%
    Medicinal 37.47%
    Woody 32.25%
    Leather 31.4%
    Smoke 30.93%
    Camphor 30.75%
    Musty 30.15%
    Smoky 27.47%
    Flat 26.04%
    Medical 24.86%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    10.13 (weak base)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    245°C

    Flash point

    • 102.25 ˚C est.

  • Synonyms

    • 3,4,5-TRIMETHYLPHENOL
    • 527-54-8
    • Phenol, 3,4,5-trimethyl-
    • 3,4,5-Hemimellitenol
    • 1-Hydroxy-3,4,5-trimethylbenzene
    • 5-Hydroxy-1,2,3-trimethylbenzene
    • UNII-8S1I71213X
    • EINECS 208-418-7
    • NSC 65648
    • NSC-65648
    • 8S1I71213X
    • DTXSID2060175
    • CHEBI:38896
    • SYM-Hemellitenol
    • NSC65648
    • 3,5-Hemimellitenol
    • MFCD00002305
    • 3,5-Trimethylphenol
    • 3,4,5-trimethyl-phenol
    • NCIOpen2_000155
    • SCHEMBL253926
    • 1-Hydroxy-3,5-trimethylbenzene
    • 5-Hydroxy-1,3-trimethylbenzene
    • DTXCID7041257
    • 3,4,5-Trimethylphenol, 97%
    • AKOS015888373
    • AS-81371
    • CS-0365811
    • NS00005893
    • G77228
    • Q27118025
    • 208-418-7

  • Applications

    3,4,5-Trimethylphenol is commonly used as a building block for fragrance materials and odorants in perfumery and personal care; it serves as a precursor for phenolic resins and related polymers used in coatings and inks; it is evaluated as a building block for specialty polymers and other industrial chemicals; and it can be employed as an intermediate in coating, paint, and ink formulations depending on regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3062.16
    methanol 3236.23
    isopropanol 2085.58
    water 10.87
    ethyl acetate 1778.18
    n-propanol 2602.84
    acetone 2359.73
    n-butanol 1892.32
    acetonitrile 3417.43
    DMF 1818.9
    toluene 504.78
    isobutanol 1330.94
    1,4-dioxane 5514.32
    methyl acetate 1760.98
    THF 6392.66
    2-butanone 1917.69
    n-pentanol 1112.27
    sec-butanol 1455.58
    n-hexane 431.39
    ethylene glycol 325.06
    NMP 948.67
    cyclohexane 309.79
    DMSO 1945.55
    n-butyl acetate 866.56
    n-octanol 477.91
    chloroform 1939.62
    n-propyl acetate 708.71
    acetic acid 801.29
    dichloromethane 1854.0
    cyclohexanone 1694.76
    propylene glycol 329.38
    isopropyl acetate 718.9
    DMAc 503.41
    2-ethoxyethanol 1271.47
    isopentanol 988.65
    n-heptane 236.27
    ethyl formate 943.02
    1,2-dichloroethane 1637.43
    n-hexanol 1676.55
    2-methoxyethanol 2111.0
    isobutyl acetate 352.76
    tetrachloromethane 519.88
    n-pentyl acetate 434.15
    transcutol 1219.97
    n-heptanol 567.36
    ethylbenzene 283.84
    MIBK 662.96
    2-propoxyethanol 1947.89
    tert-butanol 1874.3
    MTBE 1818.83
    2-butoxyethanol 736.26
    propionic acid 951.36
    o-xylene 242.48
    formic acid 383.62
    diethyl ether 3257.7
    m-xylene 331.45
    p-xylene 288.68
    chlorobenzene 518.6
    dimethyl carbonate 401.72
    n-octane 105.22
    formamide 798.59
    cyclopentanone 2316.88
    2-pentanone 1532.8
    anisole 612.56
    cyclopentyl methyl ether 2089.02
    gamma-butyrolactone 2273.76
    1-methoxy-2-propanol 1455.21
    pyridine 1499.61
    3-pentanone 995.87
    furfural 904.9
    n-dodecane 62.79
    diethylene glycol 920.95
    diisopropyl ether 587.63
    tert-amyl alcohol 1114.7
    acetylacetone 906.78
    n-hexadecane 69.82
    acetophenone 302.07
    methyl propionate 1207.69
    isopentyl acetate 576.79
    trichloroethylene 1559.78
    n-nonanol 396.38
    cyclohexanol 958.21
    benzyl alcohol 361.63
    2-ethylhexanol 592.34
    isooctanol 377.95
    dipropyl ether 956.02
    1,2-dichlorobenzene 321.62
    ethyl lactate 195.33
    propylene carbonate 661.75
    n-methylformamide 1685.33
    2-pentanol 1104.33
    n-pentane 353.23
    1-propoxy-2-propanol 986.11
    1-methoxy-2-propyl acetate 633.8
    2-(2-methoxypropoxy) propanol 312.41
    mesitylene 201.15
    ε-caprolactone 1164.83
    p-cymene 140.77
    epichlorohydrin 2842.0
    1,1,1-trichloroethane 1240.59
    2-aminoethanol 765.54
    morpholine-4-carbaldehyde 1317.11
    sulfolane 1497.37
    2,2,4-trimethylpentane 94.63
    2-methyltetrahydrofuran 3642.17
    n-hexyl acetate 616.1
    isooctane 108.16
    2-(2-butoxyethoxy)ethanol 578.76
    sec-butyl acetate 381.2
    tert-butyl acetate 711.32
    decalin 117.36
    glycerin 351.79
    diglyme 1018.0
    acrylic acid 530.68
    isopropyl myristate 226.67
    n-butyric acid 1075.3
    acetyl acetate 486.15
    di(2-ethylhexyl) phthalate 131.25
    ethyl propionate 616.98
    nitromethane 2029.88
    1,2-diethoxyethane 938.79
    benzonitrile 467.29
    trioctyl phosphate 136.04
    1-bromopropane 1356.04
    gamma-valerolactone 2309.22
    n-decanol 298.06
    triethyl phosphate 156.28
    4-methyl-2-pentanol 468.15
    propionitrile 2167.24
    vinylene carbonate 541.56
    1,1,2-trichlorotrifluoroethane 576.32
    DMS 317.46
    cumene 178.27
    2-octanol 366.77
    2-hexanone 903.99
    octyl acetate 313.78
    limonene 245.45
    1,2-dimethoxyethane 1947.52
    ethyl orthosilicate 163.36
    tributyl phosphate 143.03
    diacetone alcohol 717.18
    N,N-dimethylaniline 297.49
    acrylonitrile 1789.57
    aniline 641.9
    1,3-propanediol 1136.61
    bromobenzene 465.52
    dibromomethane 1491.26
    1,1,2,2-tetrachloroethane 1135.75
    2-methyl-cyclohexyl acetate 283.53
    tetrabutyl urea 173.46
    diisobutyl methanol 274.31
    2-phenylethanol 515.93
    styrene 323.63
    dioctyl adipate 206.76
    dimethyl sulfate 402.96
    ethyl butyrate 469.21
    methyl lactate 315.07
    butyl lactate 225.45
    diethyl carbonate 245.76
    propanediol butyl ether 351.54
    triethyl orthoformate 275.07
    p-tert-butyltoluene 156.43
    methyl 4-tert-butylbenzoate 280.72
    morpholine 5031.83
    tert-butylamine 1155.89
    n-dodecanol 228.48
    dimethoxymethane 2002.03
    ethylene carbonate 593.81
    cyrene 258.99
    2-ethoxyethyl acetate 529.87
    2-ethylhexyl acetate 445.93
    1,2,4-trichlorobenzene 316.73
    4-methylpyridine 1202.18
    dibutyl ether 565.46
    2,6-dimethyl-4-heptanol 274.31
    DEF 965.33
    dimethyl isosorbide 542.09
    tetrachloroethylene 777.37
    eugenol 275.8
    triacetin 240.23
    span 80 320.29
    1,4-butanediol 367.55
    1,1-dichloroethane 1713.83
    2-methyl-1-pentanol 595.15
    methyl formate 1046.23
    2-methyl-1-butanol 951.41
    n-decane 112.35
    butyronitrile 1953.84
    3,7-dimethyl-1-octanol 341.69
    1-chlorooctane 345.12
    1-chlorotetradecane 131.13
    n-nonane 123.62
    undecane 81.21
    tert-butylcyclohexane 131.41
    cyclooctane 115.39
    cyclopentanol 1330.8
    tetrahydropyran 4515.98
    tert-amyl methyl ether 939.77
    2,5,8-trioxanonane 565.39
    1-hexene 1033.4
    2-isopropoxyethanol 737.81
    2,2,2-trifluoroethanol 277.56
    methyl butyrate 698.29

    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

Botanical

Name CAS Botanical Proportion
Averrhoa bilimbi fruit (Malaysia) Averrhoa bilimbi L., fam. Oxalidaceae 0.05%