3,4-Dimethylphenol

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  • Identifiers

    CAS number
    95-65-8

    Molecular formula
    C8H10O

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

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Environmental Hazard
    Environmental

  • Odor profile

    Phenolic 79.63%
    Medicinal 53.58%
    Leathery 51.4%
    Woody 49.03%
    Smoky 48.97%
    Animal 46.23%
    Spicy 41.74%
    Dry 35.6%
    Burnt 34.29%
    Musty 31.96%

    Scent© AI

    Odor threshold>

    • Odor threshold = 0.003 mg/m3 (detection in air)
    • 0.003 mg/cu m (detection in air)
    • 1.2 mg/l (detection in water)

  • Properties

    XLogP3-AA
    2.2

    Molecular weight
    122.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 144.5 °F (NTP, 1992)
    • 62.5 °C
    • 62 - 64 °C

    Boiling point

    • 437 °F at 760 mmHg (NTP, 1992)
    • 225 °C
    • 227.00 °C. @ 760.00 mm Hg

    Flash point est.
    91.1 ˚C

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • Sol in ethyl alcohol, carbon tetrachloride, miscible in ethyl ether
    • Very sol in benzene, chloroform
    • Soluble in aromatic solvents
    • In water, 4.76X10+3 mg/l @ 25 °C.
    • 4.76 mg/mL at 25 °C
    • slightly soluble in water; soluble in fat
    • moderately soluble (in ethanol)

  • Synonyms

    • 3,4-DIMETHYLPHENOL
    • 95-65-8
    • 3,4-Xylenol
    • Phenol, 3,4-dimethyl-
    • 4,5-Dimethylphenol
    • 1,3,4-Xylenol
    • 3,4-Dimethyl phenol
    • 1-Hydroxy-3,4-dimethylbenzene
    • 4-Hydroxy-1,2-dimethylbenzene
    • 3,4-DMP
    • 3,4-dimethyl-phenol
    • FEMA No. 3596
    • 4-Hydroxy-o-xylene
    • NSC 1549
    • CCRIS 723
    • 1,2-Dimethyl-4-hydroxybenzene
    • HSDB 5294
    • EINECS 202-439-5
    • BRN 1099267
    • DTXSID4024062
    • 3, 4-Xylenol
    • CHEBI:39839
    • AI3-01552
    • 1,2,4-Xylenol
    • 4L479F5JU6
    • NSC-1549
    • 3,4-Xylenol, 8CI
    • 3,4-XYLENOL [FHFI]
    • DTXCID004062
    • FEMA 3596
    • 1-Hydroxy-3, 4-dimethylbenzene
    • EC 202-439-5
    • XYLENOL 3,4-DIMETHYLPHENOL
    • 3,4-DIMETHYLPHENOL [HSDB]
    • 4-06-00-03099 (Beilstein Handbook Reference)
    • XYLENOL 3,4-DIMETHYLPHENOL [MI]
    • METACRESOL IMPURITY L [EP IMPURITY]
    • CAS-95-65-8
    • 2MP
    • METACRESOL IMPURITY L (EP IMPURITY)
    • UNII-4L479F5JU6
    • 4,5Dimethylphenol
    • MFCD00002304
    • 1,4-Xylenol
    • 1,3,4Xylenol
    • 3,4--Xylenol
    • Phenol, 3,4dimethyl
    • AS-O-XYLENOL
    • O-4-XYLENOL
    • 1Hydroxy3,4dimethylbenzene
    • 4Hydroxy1,2dimethylbenzene
    • 3,4-Dimethylphenol (1)
    • 3,4-Dimethylphenol, 98%
    • SCHEMBL125704
    • WLN: QR C1 D1
    • 3,4DMP
    • CHEMBL192008
    • NSC1549
    • BDBM238309
    • 3,4-Xylenol, >=98%, FG
    • STR06236
    • Tox21_201523
    • Tox21_300185
    • STL570694
    • AKOS000119349
    • DB04052
    • NCGC00091845-01
    • NCGC00091845-02
    • NCGC00091845-03
    • NCGC00253983-01
    • NCGC00259073-01
    • AC-10834
    • PD006522
    • DB-003356
    • D0777
    • NS00003137
    • EN300-20195
    • 3,4-Dimethylphenol 100 microg/mL in Methanol
    • E78877
    • Q4634081
    • 3,4-Dimethylphenol, PESTANAL(R), analytical standard
    • F0001-2276
    • Z104477218
    • 202-439-5

  • Applications

    3,4-Xylenol (3,4-dimethylphenol, CAS 95-65-8) is a versatile phenolic compound exploited across numerous industries thanks to its strong disinfectant power, micro-bial inhibition and high chemical reactivity; in pharmaceuticals and personal care it serves as a bactericidal ingredient for skin antiseptics, mouthwashes, antifungal creams and as a preservative against spoilage; in chemical manufacture it functions as a feedstock for heat-resistant phenolic resins, epoxy curing agents, intermediates for rubber and plastic antioxidants, as well as a precursor for phenate-based pesticides and dyes; in oilfield and wastewater treatment 3,4-Xylenol is employed as a corrosion inhibitor and biocide to prevent biofilm formation; additionally it appears in lubricant additives, polymer stabilizers, printing inks, technical flavor formulations and a variety of other organic synthesis routes that require an activated aromatic ring bearing a hydroxyl group.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2101.54
    methanol 2098.44
    isopropanol 1629.49
    water 7.78
    ethyl acetate 1614.79
    n-propanol 1738.51
    acetone 1730.86
    n-butanol 1299.87
    acetonitrile 2260.03
    DMF 1448.14
    toluene 249.59
    isobutanol 964.13
    1,4-dioxane 3225.25
    methyl acetate 1574.02
    THF 3125.85
    2-butanone 1677.66
    n-pentanol 743.39
    sec-butanol 1206.12
    n-hexane 154.5
    ethylene glycol 271.51
    NMP 520.35
    cyclohexane 84.44
    DMSO 1313.21
    n-butyl acetate 579.34
    n-octanol 340.44
    chloroform 1248.3
    n-propyl acetate 524.22
    acetic acid 601.08
    dichloromethane 1047.68
    cyclohexanone 894.41
    propylene glycol 343.01
    isopropyl acetate 599.0
    DMAc 623.68
    2-ethoxyethanol 934.93
    isopentanol 692.48
    n-heptane 101.78
    ethyl formate 769.18
    1,2-dichloroethane 890.75
    n-hexanol 1154.48
    2-methoxyethanol 1605.24
    isobutyl acetate 265.17
    tetrachloromethane 273.75
    n-pentyl acetate 294.2
    transcutol 1089.36
    n-heptanol 386.85
    ethylbenzene 167.3
    MIBK 487.19
    2-propoxyethanol 1446.61
    tert-butanol 1372.58
    MTBE 1192.9
    2-butoxyethanol 577.08
    propionic acid 858.87
    o-xylene 143.79
    formic acid 267.79
    diethyl ether 1741.27
    m-xylene 181.53
    p-xylene 185.41
    chlorobenzene 292.57
    dimethyl carbonate 359.19
    n-octane 49.63
    formamide 579.71
    cyclopentanone 1306.56
    2-pentanone 1102.63
    anisole 425.65
    cyclopentyl methyl ether 963.75
    gamma-butyrolactone 1363.22
    1-methoxy-2-propanol 1257.14
    pyridine 856.13
    3-pentanone 744.9
    furfural 656.62
    n-dodecane 33.46
    diethylene glycol 739.42
    diisopropyl ether 301.52
    tert-amyl alcohol 857.78
    acetylacetone 764.11
    n-hexadecane 37.0
    acetophenone 235.7
    methyl propionate 1027.37
    isopentyl acetate 383.64
    trichloroethylene 1033.27
    n-nonanol 283.3
    cyclohexanol 527.34
    benzyl alcohol 263.12
    2-ethylhexanol 384.47
    isooctanol 264.21
    dipropyl ether 532.55
    1,2-dichlorobenzene 199.88
    ethyl lactate 174.79
    propylene carbonate 449.97
    n-methylformamide 1294.27
    2-pentanol 760.6
    n-pentane 116.49
    1-propoxy-2-propanol 741.07
    1-methoxy-2-propyl acetate 486.04
    2-(2-methoxypropoxy) propanol 270.8
    mesitylene 113.83
    ε-caprolactone 718.72
    p-cymene 90.2
    epichlorohydrin 1696.16
    1,1,1-trichloroethane 774.78
    2-aminoethanol 677.72
    morpholine-4-carbaldehyde 924.04
    sulfolane 841.81
    2,2,4-trimethylpentane 44.71
    2-methyltetrahydrofuran 1741.7
    n-hexyl acetate 432.25
    isooctane 51.16
    2-(2-butoxyethoxy)ethanol 492.84
    sec-butyl acetate 287.17
    tert-butyl acetate 523.56
    decalin 52.32
    glycerin 365.4
    diglyme 859.27
    acrylic acid 484.44
    isopropyl myristate 147.93
    n-butyric acid 980.15
    acetyl acetate 442.89
    di(2-ethylhexyl) phthalate 96.43
    ethyl propionate 461.6
    nitromethane 1639.6
    1,2-diethoxyethane 623.41
    benzonitrile 290.56
    trioctyl phosphate 97.31
    1-bromopropane 658.16
    gamma-valerolactone 1450.63
    n-decanol 210.44
    triethyl phosphate 116.73
    4-methyl-2-pentanol 331.07
    propionitrile 1448.18
    vinylene carbonate 433.25
    1,1,2-trichlorotrifluoroethane 521.78
    DMS 246.26
    cumene 114.42
    2-octanol 255.55
    2-hexanone 600.39
    octyl acetate 211.76
    limonene 141.76
    1,2-dimethoxyethane 1296.56
    ethyl orthosilicate 116.69
    tributyl phosphate 101.83
    diacetone alcohol 575.58
    N,N-dimethylaniline 217.83
    acrylonitrile 1291.84
    aniline 397.73
    1,3-propanediol 916.03
    bromobenzene 251.04
    dibromomethane 757.11
    1,1,2,2-tetrachloroethane 729.06
    2-methyl-cyclohexyl acetate 189.72
    tetrabutyl urea 121.9
    diisobutyl methanol 185.63
    2-phenylethanol 380.67
    styrene 178.79
    dioctyl adipate 144.03
    dimethyl sulfate 377.04
    ethyl butyrate 331.58
    methyl lactate 325.38
    butyl lactate 179.53
    diethyl carbonate 190.63
    propanediol butyl ether 314.5
    triethyl orthoformate 189.88
    p-tert-butyltoluene 98.7
    methyl 4-tert-butylbenzoate 218.69
    morpholine 2861.2
    tert-butylamine 753.63
    n-dodecanol 156.04
    dimethoxymethane 1321.3
    ethylene carbonate 433.17
    cyrene 216.83
    2-ethoxyethyl acetate 395.17
    2-ethylhexyl acetate 273.79
    1,2,4-trichlorobenzene 208.33
    4-methylpyridine 713.69
    dibutyl ether 352.4
    2,6-dimethyl-4-heptanol 185.63
    DEF 723.47
    dimethyl isosorbide 411.01
    tetrachloroethylene 469.71
    eugenol 234.55
    triacetin 207.27
    span 80 263.58
    1,4-butanediol 317.57
    1,1-dichloroethane 1098.1
    2-methyl-1-pentanol 420.96
    methyl formate 805.98
    2-methyl-1-butanol 680.05
    n-decane 61.41
    butyronitrile 1150.21
    3,7-dimethyl-1-octanol 250.16
    1-chlorooctane 203.81
    1-chlorotetradecane 73.69
    n-nonane 63.35
    undecane 43.74
    tert-butylcyclohexane 65.43
    cyclooctane 36.82
    cyclopentanol 744.6
    tetrahydropyran 2174.38
    tert-amyl methyl ether 595.41
    2,5,8-trioxanonane 475.82
    1-hexene 481.85
    2-isopropoxyethanol 597.68
    2,2,2-trifluoroethanol 247.21
    methyl butyrate 535.94

    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