3,5-Dimethylphenol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    108-68-9

    Molecular formula
    C8H10O

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

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

  • Odor profile

    Woody 73.88%
    Phenolic 69.35%
    Spicy 46.81%
    Leathery 46.7%
    Medicinal 43.83%
    Dry 42.87%
    Animal 42.55%
    Smoky 37.74%
    Burnt 31.12%
    Tobacco 27.97%

    Scent© AI

    Odor threshold

    • Odor threshold = 4.10E-5 mg/m3 (detection in air)
    • 4.10 X 10-5 mg/cu m (detection in air)
    • 5 mg/l (detection in water)

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    10.26 (weak base)

    Molecular weight
    122.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • 147 °F (NTP, 1992)
    • 64 °C

    Boiling point

    • 427.1 °F at 760 mmHg (NTP, 1992)
    • 219.5 °C
    • 219 °C

    Flash point est.
    89.96 ˚C

    Flash point expt.

    • [HSDB] 80 °C
    • 80 °C c.c.

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • Sol in ethyl alcohol, carbon tetrachloride
    • Very sol in benzene, chloroform, ether
    • In water, 4.88X10+3 mg/l @ 25 °C.
    • 4.0 x 10 (-2) mol/l, at pH 5.1 and 25 °C.
    • Solubility in water, g/100ml at 25 °C: 0.5

  • Synonyms

    • 3,5-DIMETHYLPHENOL
    • 108-68-9
    • 3,5-Xylenol
    • Sym-m-xylenol
    • Phenol, 3,5-dimethyl-
    • 1,3,5-Xylenol
    • 3,5-Dmp
    • 1-Hydroxy-3,5-dimethylbenzene
    • 5-Hydroxy-m-xylene
    • Xylenol 200
    • 3,5-Dimethyl phenol
    • NSC 9268
    • CCRIS 724
    • HSDB 5385
    • UNII-ONA760G0WA
    • Benzene, 1,3-dimethyl-5-hydroxy-
    • EINECS 203-606-5
    • DTXSID1025148
    • CHEBI:38572
    • 3,5-Dimethyl-Phenol
    • AI3-01553
    • 3,5-Xylen-1-ol
    • NSC-9268
    • MFCD00002307
    • ONA760G0WA
    • XYLENOL, 3,5-
    • DTXCID105148
    • 1,3-Dimethyl-5-hydroxybenzene
    • 1,5-Dimethyl-3-hydroxybenzene
    • 1,5-Dimethyl-3-hyperoxybenzene
    • EC 203-606-5
    • XYLENOL 3,5-DIMETHYLPHENOL
    • 3,5-DIMETHYLPHENOL [HSDB]
    • 3,5-Dimethylphenol-2,4,6-d3
    • 3,?5-?Dimethylphenol
    • XYLENOL 3,5-DIMETHYLPHENOL [MI]
    • 3,5-DIMETHYLPHENOL [USP IMPURITY]
    • METACRESOL IMPURITY J [EP IMPURITY]
    • CAS-108-68-9
    • 3,5-DIMETHYLPHENOL (USP IMPURITY)
    • METACRESOL IMPURITY J (EP IMPURITY)
    • symmXylenol
    • sym.-m-Xylenol
    • 3.5-dimethylphenol
    • 3, 5-dimethylphenol
    • 1,3,5Xylenol
    • Phenol, 3,5dimethyl
    • M-5-XYLENOL
    • 1Hydroxy3,5dimethylbenzene
    • SCHEMBL28714
    • 3,5-Dimethylphenol, 98%
    • Benzene, 1,3dimethyl5hydroxy
    • WLN: QR C1 E1
    • 3,5DMP
    • CHEMBL191740
    • 3,5-Dimethylphenol, >=99%
    • NSC9268
    • Tox21_202181
    • Tox21_303372
    • STL194292
    • 3,5-Dimethylphenol(1,3,5-Xylenol)
    • AKOS000119350
    • AC-7353
    • NCGC00091574-01
    • NCGC00091574-02
    • NCGC00257396-01
    • NCGC00259730-01
    • AS-13592
    • ERH
    • DB-030898
    • D0778
    • D1829
    • NS00008233
    • EN300-20196
    • 3,5-Dimethylphenol 100 microg/mL in Methanol
    • D89931
    • 3,5-Dimethylphenol, PESTANAL(R), analytical standard
    • Q26841188
    • F0001-0176
    • Z104477220
    • 203-606-5

  • Applications

    3,5-Dimethylphenol (m-xylenol, CAS 108-68-9) is a dimethylated phenol used mainly as a chemical intermediate and versatile building block across industries: a feedstock/modifier for making and tailoring phenolic, epoxy, and other high-performance resins; a precursor to antioxidants, corrosion inhibitors, and UV stabilizers for polymers, rubber, fuels, and lubricants; an active ingredient or precursor in certain xylenol-based disinfectant formulations, as well as in agrochemical, dye, and pharmaceutical intermediates; a derivatization handle to prepare ethers, esters, carbamates, and sulfonates used as plasticizers, surfactants, and property modifiers; and a platform for advanced synthesis (ligands, coupling units, functional materials) and analytical derivatization, offering rich phenolic reactivity while requiring strict safety management due to its toxicity, corrosivity, flammability, and environmental hazards.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4221.29
    methanol 5160.07
    isopropanol 2848.56
    water 11.77
    ethyl acetate 1829.08
    n-propanol 2962.92
    acetone 3342.06
    n-butanol 2389.01
    acetonitrile 3435.11
    DMF 1515.63
    toluene 426.76
    isobutanol 1694.28
    1,4-dioxane 4146.44
    methyl acetate 1589.7
    THF 6449.14
    2-butanone 1671.27
    n-pentanol 1475.3
    sec-butanol 1729.85
    n-hexane 737.76
    ethylene glycol 580.32
    NMP 1034.58
    cyclohexane 557.33
    DMSO 1834.86
    n-butyl acetate 970.2
    n-octanol 547.73
    chloroform 1228.87
    n-propyl acetate 756.56
    acetic acid 1762.26
    dichloromethane 1162.21
    cyclohexanone 1610.72
    propylene glycol 608.97
    isopropyl acetate 854.86
    DMAc 525.94
    2-ethoxyethanol 1284.77
    isopentanol 1339.6
    n-heptane 376.72
    ethyl formate 1051.34
    1,2-dichloroethane 988.28
    n-hexanol 2107.45
    2-methoxyethanol 2477.99
    isobutyl acetate 414.58
    tetrachloromethane 278.55
    n-pentyl acetate 452.74
    transcutol 1690.31
    n-heptanol 557.84
    ethylbenzene 192.22
    MIBK 842.41
    2-propoxyethanol 2198.1
    tert-butanol 2252.39
    MTBE 1660.67
    2-butoxyethanol 722.61
    propionic acid 1283.09
    o-xylene 176.98
    formic acid 734.76
    diethyl ether 3828.02
    m-xylene 324.39
    p-xylene 213.81
    chlorobenzene 385.55
    dimethyl carbonate 405.48
    n-octane 114.92
    formamide 898.19
    cyclopentanone 2117.21
    2-pentanone 1793.56
    anisole 425.41
    cyclopentyl methyl ether 2349.68
    gamma-butyrolactone 2315.9
    1-methoxy-2-propanol 1756.63
    pyridine 922.89
    3-pentanone 957.37
    furfural 894.49
    n-dodecane 75.66
    diethylene glycol 1181.51
    diisopropyl ether 733.01
    tert-amyl alcohol 1189.79
    acetylacetone 1115.49
    n-hexadecane 84.31
    acetophenone 239.96
    methyl propionate 1190.85
    isopentyl acetate 665.49
    trichloroethylene 1015.09
    n-nonanol 426.25
    cyclohexanol 1310.33
    benzyl alcohol 321.0
    2-ethylhexanol 737.83
    isooctanol 380.86
    dipropyl ether 1171.15
    1,2-dichlorobenzene 228.78
    ethyl lactate 237.64
    propylene carbonate 882.69
    n-methylformamide 1467.35
    2-pentanol 1487.06
    n-pentane 702.41
    1-propoxy-2-propanol 1208.0
    1-methoxy-2-propyl acetate 717.84
    2-(2-methoxypropoxy) propanol 370.73
    mesitylene 184.1
    ε-caprolactone 1201.86
    p-cymene 129.45
    epichlorohydrin 2189.91
    1,1,1-trichloroethane 836.25
    2-aminoethanol 1066.48
    morpholine-4-carbaldehyde 1207.15
    sulfolane 1411.48
    2,2,4-trimethylpentane 136.73
    2-methyltetrahydrofuran 3658.21
    n-hexyl acetate 724.71
    isooctane 166.34
    2-(2-butoxyethoxy)ethanol 661.94
    sec-butyl acetate 397.19
    tert-butyl acetate 832.7
    decalin 141.57
    glycerin 549.57
    diglyme 1016.29
    acrylic acid 819.11
    isopropyl myristate 236.05
    n-butyric acid 1452.53
    acetyl acetate 664.32
    di(2-ethylhexyl) phthalate 155.97
    ethyl propionate 596.92
    nitromethane 2321.04
    1,2-diethoxyethane 1006.61
    benzonitrile 420.75
    trioctyl phosphate 164.25
    1-bromopropane 1078.89
    gamma-valerolactone 1994.4
    n-decanol 315.45
    triethyl phosphate 156.38
    4-methyl-2-pentanol 623.04
    propionitrile 1777.14
    vinylene carbonate 635.07
    1,1,2-trichlorotrifluoroethane 578.72
    DMS 340.21
    cumene 121.92
    2-octanol 369.03
    2-hexanone 941.74
    octyl acetate 311.31
    limonene 266.31
    1,2-dimethoxyethane 1837.33
    ethyl orthosilicate 172.69
    tributyl phosphate 186.35
    diacetone alcohol 823.27
    N,N-dimethylaniline 206.91
    acrylonitrile 1327.81
    aniline 501.99
    1,3-propanediol 1446.98
    bromobenzene 323.9
    dibromomethane 1001.09
    1,1,2,2-tetrachloroethane 753.24
    2-methyl-cyclohexyl acetate 322.49
    tetrabutyl urea 205.1
    diisobutyl methanol 349.66
    2-phenylethanol 460.81
    styrene 215.31
    dioctyl adipate 248.08
    dimethyl sulfate 386.28
    ethyl butyrate 500.48
    methyl lactate 376.39
    butyl lactate 261.46
    diethyl carbonate 253.76
    propanediol butyl ether 487.33
    triethyl orthoformate 299.6
    p-tert-butyltoluene 149.19
    methyl 4-tert-butylbenzoate 276.84
    morpholine 4065.79
    tert-butylamine 1525.78
    n-dodecanol 240.57
    dimethoxymethane 2056.04
    ethylene carbonate 686.48
    cyrene 286.93
    2-ethoxyethyl acetate 536.39
    2-ethylhexyl acetate 477.68
    1,2,4-trichlorobenzene 241.14
    4-methylpyridine 858.77
    dibutyl ether 641.86
    2,6-dimethyl-4-heptanol 349.66
    DEF 952.63
    dimethyl isosorbide 596.07
    tetrachloroethylene 508.88
    eugenol 256.22
    triacetin 292.61
    span 80 401.72
    1,4-butanediol 534.64
    1,1-dichloroethane 1174.31
    2-methyl-1-pentanol 767.29
    methyl formate 1194.76
    2-methyl-1-butanol 1191.99
    n-decane 134.81
    butyronitrile 1952.02
    3,7-dimethyl-1-octanol 425.66
    1-chlorooctane 338.45
    1-chlorotetradecane 131.55
    n-nonane 154.19
    undecane 97.18
    tert-butylcyclohexane 157.97
    cyclooctane 200.44
    cyclopentanol 1633.24
    tetrahydropyran 4249.03
    tert-amyl methyl ether 938.47
    2,5,8-trioxanonane 590.08
    1-hexene 1302.57
    2-isopropoxyethanol 801.69
    2,2,2-trifluoroethanol 420.14
    methyl butyrate 698.67

    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
Tamarind 1 dried fruit Tamarindus indica L., fam. Leguminosae 0.05%