2,4,6-Trimethylphenol

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  • Identifiers

    CAS number
    527-60-6

    Molecular formula
    C9H12O

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Phenolic 79.38%
    Smoky 64.34%
    Spicy 62.72%
    Medicinal 55.52%
    Leathery 52.49%
    Burnt 45.76%
    Woody 44.03%
    Roasted 33.14%
    Musty 33.03%
    Sweet 32.52%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 73 °C

    Boiling point

    • 220 °C
    • 220.00 °C. @ 760.00 mm Hg

    Flash point est.
    91.81 ˚C

    Solubility expt.

    • Very soluble in ether and ethanol
    • Water solubility = 1.01X10+3 mg/l at 25 °C
    • 7.4 x 10 (-2) mol/l, at pH 5.1 and 25 °C.
    • 1.2 mg/mL at 25 °C
    • Sparingly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 2,4,6-TRIMETHYLPHENOL
    • 527-60-6
    • Mesitol
    • Mesityl alcohol
    • Phenol, 2,4,6-trimethyl-
    • 2-Hydroxymesitylene
    • 1,3,5-Trimethylphenol
    • 2,4,6-Trimetylofenol
    • 1-Hydroxy-2,4,6-trimethylbenzene
    • 2,4,6-Trimethyl-phenol
    • 2,4,6-Trimethylofenol
    • DTXSID7022049
    • HSDB 5677
    • Hydroxymesitylene
    • 2,4,6-Trimetylofenol [Polish]
    • 2,4,6-trimethyl phenol
    • 2,4,6-Trimethylofenol [Polish]
    • NSC 5353
    • EINECS 208-419-2
    • MFCD00002235
    • UNII-FPZ32614N6
    • Benzene, 2-hydroxy-1,3,5-trimethyl-
    • BRN 1859675
    • FPZ32614N6
    • NSC-5353
    • 2,4, 6-Trimethylphenol
    • DTXCID002049
    • BENZENE,1-HYDROXY,2,4,6-TRIMETHYL
    • FEMA NO. 4329
    • 4-06-00-03253 (Beilstein Handbook Reference)
    • 2-Hydroxy-1,3,5-trimethyl-Benzene
    • 2,6-Trimethylphenol
    • 2,4,6-TRIMETHYLPHENOL [FHFI]
    • 2,4,6-TRIMETHYLPHENOL [HSDB]
    • Phenol,4,6-trimethyl-
    • 1-Hydroxy-2,6-trimethylbenzene
    • 2,4,6-Trimethylofenol (Polish)
    • CAS-527-60-6
    • 2Hydroxymesitylene
    • 246-Trimethylphenol
    • 2,4,6Trimetylofenol
    • 1,3,5Trimethylphenol
    • 2,4,6Trimethylofenol
    • 246-Trimethyl-phenol
    • Phenol, 2,4,6trimethyl
    • 2, 4, 6-trimethylphenol
    • SCHEMBL36529
    • 1Hydroxy2,4,6trimethylbenzene
    • CHEMBL108930
    • F3308-0308
    • 2,4,6-Trimethylphenol, 97%
    • NSC5353
    • Benzene, 2hydroxy1,3,5trimethyl
    • CHEBI:196451
    • BCP11227
    • NSC68321
    • Tox21_202252
    • Tox21_300348
    • NSC-68321
    • 2,4,6-Trimethylphenol, 99%, FG
    • AKOS000121003
    • FS-4819
    • FT71242
    • HY-W038786
    • NCGC00248001-01
    • NCGC00248001-02
    • NCGC00254453-01
    • NCGC00259801-01
    • BP-10776
    • DA-69654
    • SY049486
    • CS-0096301
    • NS00002161
    • T0486
    • EN300-21427
    • A829237
    • AC-907/25014259
    • Q15725609
    • 2,4,6-Trimethylphenol, PESTANAL(R), analytical standard
    • 2,4,6-Trimethylphenol, certified reference material, TraceCERT(R)
    • 208-419-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2726.22
    methanol 3970.22
    isopropanol 1712.86
    water 14.72
    ethyl acetate 1521.77
    n-propanol 1855.15
    acetone 1980.09
    n-butanol 1569.17
    acetonitrile 2479.55
    DMF 1612.17
    toluene 646.39
    isobutanol 1147.2
    1,4-dioxane 4143.48
    methyl acetate 1422.78
    THF 4892.09
    2-butanone 1433.43
    n-pentanol 1108.14
    sec-butanol 1175.7
    n-hexane 583.68
    ethylene glycol 377.37
    NMP 941.59
    cyclohexane 371.83
    DMSO 1374.37
    n-butyl acetate 1450.94
    n-octanol 720.93
    chloroform 2473.32
    n-propyl acetate 1043.35
    acetic acid 880.67
    dichloromethane 2440.29
    cyclohexanone 1515.48
    propylene glycol 334.59
    isopropyl acetate 806.83
    DMAc 602.86
    2-ethoxyethanol 1477.95
    isopentanol 1093.43
    n-heptane 349.4
    ethyl formate 1146.95
    1,2-dichloroethane 1803.31
    n-hexanol 1565.52
    2-methoxyethanol 2048.1
    isobutyl acetate 616.16
    tetrachloromethane 747.83
    n-pentyl acetate 738.32
    transcutol 1920.51
    n-heptanol 754.02
    ethylbenzene 392.61
    MIBK 807.81
    2-propoxyethanol 2226.58
    tert-butanol 1787.04
    MTBE 1841.04
    2-butoxyethanol 1012.14
    propionic acid 764.06
    o-xylene 336.9
    formic acid 514.84
    diethyl ether 2882.49
    m-xylene 449.32
    p-xylene 418.6
    chlorobenzene 703.56
    dimethyl carbonate 422.7
    n-octane 170.78
    formamide 751.33
    cyclopentanone 1954.07
    2-pentanone 1420.15
    anisole 786.2
    cyclopentyl methyl ether 1739.04
    gamma-butyrolactone 2078.22
    1-methoxy-2-propanol 1358.94
    pyridine 1327.47
    3-pentanone 881.32
    furfural 1177.96
    n-dodecane 101.43
    diethylene glycol 1102.52
    diisopropyl ether 758.35
    tert-amyl alcohol 1146.28
    acetylacetone 887.15
    n-hexadecane 111.96
    acetophenone 450.73
    methyl propionate 1012.85
    isopentyl acetate 1047.28
    trichloroethylene 2104.75
    n-nonanol 577.86
    cyclohexanol 894.73
    benzyl alcohol 482.83
    2-ethylhexanol 812.11
    isooctanol 572.78
    dipropyl ether 1239.19
    1,2-dichlorobenzene 534.25
    ethyl lactate 315.52
    propylene carbonate 878.81
    n-methylformamide 1358.05
    2-pentanol 1049.36
    n-pentane 450.46
    1-propoxy-2-propanol 1250.69
    1-methoxy-2-propyl acetate 846.39
    2-(2-methoxypropoxy) propanol 482.98
    mesitylene 314.96
    ε-caprolactone 1184.22
    p-cymene 252.73
    epichlorohydrin 2866.78
    1,1,1-trichloroethane 1445.4
    2-aminoethanol 737.86
    morpholine-4-carbaldehyde 1421.61
    sulfolane 1489.49
    2,2,4-trimethylpentane 177.91
    2-methyltetrahydrofuran 2777.62
    n-hexyl acetate 983.45
    isooctane 200.84
    2-(2-butoxyethoxy)ethanol 848.18
    sec-butyl acetate 555.55
    tert-butyl acetate 886.64
    decalin 192.66
    glycerin 394.34
    diglyme 1464.17
    acrylic acid 513.35
    isopropyl myristate 347.29
    n-butyric acid 1108.37
    acetyl acetate 542.17
    di(2-ethylhexyl) phthalate 214.5
    ethyl propionate 772.71
    nitromethane 1799.74
    1,2-diethoxyethane 1454.37
    benzonitrile 669.99
    trioctyl phosphate 224.03
    1-bromopropane 1400.98
    gamma-valerolactone 2090.45
    n-decanol 424.95
    triethyl phosphate 259.73
    4-methyl-2-pentanol 582.51
    propionitrile 1628.82
    vinylene carbonate 798.3
    1,1,2-trichlorotrifluoroethane 778.0
    DMS 450.11
    cumene 289.34
    2-octanol 542.45
    2-hexanone 1084.37
    octyl acetate 450.78
    limonene 383.05
    1,2-dimethoxyethane 2382.77
    ethyl orthosilicate 281.01
    tributyl phosphate 241.81
    diacetone alcohol 804.96
    N,N-dimethylaniline 456.15
    acrylonitrile 1378.92
    aniline 555.35
    1,3-propanediol 1068.69
    bromobenzene 707.39
    dibromomethane 1857.79
    1,1,2,2-tetrachloroethane 1585.27
    2-methyl-cyclohexyl acetate 449.37
    tetrabutyl urea 271.13
    diisobutyl methanol 440.96
    2-phenylethanol 638.25
    styrene 450.68
    dioctyl adipate 322.82
    dimethyl sulfate 436.02
    ethyl butyrate 726.81
    methyl lactate 346.22
    butyl lactate 370.48
    diethyl carbonate 398.34
    propanediol butyl ether 578.96
    triethyl orthoformate 452.27
    p-tert-butyltoluene 277.58
    methyl 4-tert-butylbenzoate 439.61
    morpholine 3404.05
    tert-butylamine 1249.61
    n-dodecanol 314.19
    dimethoxymethane 2024.96
    ethylene carbonate 834.06
    cyrene 401.76
    2-ethoxyethyl acetate 816.91
    2-ethylhexyl acetate 788.35
    1,2,4-trichlorobenzene 490.33
    4-methylpyridine 1215.82
    dibutyl ether 814.94
    2,6-dimethyl-4-heptanol 440.96
    DEF 1037.45
    dimethyl isosorbide 799.99
    tetrachloroethylene 1215.64
    eugenol 438.66
    triacetin 376.56
    span 80 439.67
    1,4-butanediol 486.1
    1,1-dichloroethane 1785.32
    2-methyl-1-pentanol 787.39
    methyl formate 1146.82
    2-methyl-1-butanol 981.51
    n-decane 185.2
    butyronitrile 1860.57
    3,7-dimethyl-1-octanol 518.71
    1-chlorooctane 519.18
    1-chlorotetradecane 194.4
    n-nonane 202.83
    undecane 131.66
    tert-butylcyclohexane 234.5
    cyclooctane 175.94
    cyclopentanol 1001.32
    tetrahydropyran 3164.79
    tert-amyl methyl ether 1074.62
    2,5,8-trioxanonane 797.46
    1-hexene 1126.07
    2-isopropoxyethanol 1021.83
    2,2,2-trifluoroethanol 322.31
    methyl butyrate 921.64

    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