2,5-Dimethylphenol

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  • Identifiers

    CAS number
    95-87-4

    Molecular formula
    C8H10O

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

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 87.33%
    Medicinal 66.28%
    Smoky 61.71%
    Woody 56.18%
    Sweet 55.8%
    Leathery 52.59%
    Spicy 52.59%
    Animal 39.95%
    Musty 39.78%
    Burnt 39.35%

     

    Flavor
    Phenolic 77.5%
    Medicinal 59.66%
    Sweet 54.35%
    Smoke 43.53%
    Phenol 42.3%
    Smoky 41.57%
    Bacon 37.31%
    Woody 34.7%
    Medicine 34.13%
    Medical 33.28%

     

    Odor impact est.
    High

    Odor threshold

    • 2.0-2.3 mg/cu m (recognition in air)
    • 0.0005 mg/cu m (detection in air)
    • 0.4 mg/l (detection in water)

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    9.88 (weak base)

    Molecular weight
    122.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 160 to 163 °F (NTP, 1992)
    • 74.5 °C
    • 71 - 73 °C

    Boiling point

    • 414 °F at 760 mmHg (NTP, 1992)
    • 211.5 °C @ 762 mm Hg
    • 211.00 to 212.00 °C. @ 760.00 mm Hg

    Flash point

    • 86.26 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 68 °F (NTP, 1992)
    • Sol in ethyl alcohol; very sol in ethyl ether; sl sol in chloroform
    • Very sol in benzene
    • In water, 3.54X10+3 mg/l @ 25 °C.
    • 2.6 x 10 (-2) mol/l, at pH 5.1 and 25 °C.
    • 3.54 mg/mL at 25 °C
    • slightly soluble to soluble in water; soluble in fat
    • moderately soluble (in ethanol)

  • Synonyms

    • 2,5-DIMETHYLPHENOL
    • 95-87-4
    • 2,5-Xylenol
    • p-Xylenol
    • Phenol, 2,5-dimethyl-
    • 3,6-Dimethylphenol
    • 6-Methyl-m-cresol
    • 3,6-Xylenol
    • 1-Hydroxy-2,5-dimethylbenzene
    • 2,5-Dmp
    • 2,5-Dimethyl phenol
    • 1,2,5-Xylenol
    • 2-Hydroxy-p-xylene
    • 1,4-Dimethyl-2-hydroxybenzene
    • 2,5-Dimethyl-phenol
    • NSC 2599
    • CCRIS 722
    • FEMA No. 3595
    • HSDB 5296
    • Hydroxy-p-xylene
    • EINECS 202-461-5
    • UNII-XH3E3564KX
    • p-2-Xylenol
    • BRN 1099260
    • DTXSID6025145
    • 2,5'-Xylenol
    • AI3-01551
    • FEMA 3595
    • NSC-2599
    • 2,5-Xylenol, 8CI
    • MFCD00002237
    • 2,5-XYLENOL [FHFI]
    • DIMETHYLPHENOL, 2,5-
    • DTXCID905145
    • XH3E3564KX
    • CHEBI:191381
    • EC 202-461-5
    • XYLENOL 2,5-DIMETHYLPHENOL
    • 2,5-DIMETHYLPHENOL [HSDB]
    • 4-06-00-03164 (Beilstein Handbook Reference)
    • XYLENOL 2,5-DIMETHYLPHENOL [MI]
    • METACRESOL IMPURITY G [EP IMPURITY]
    • GEMFIBROZIL IMPURITY A [EP IMPURITY]
    • 2,5-Dimethylphenol (p-Xylenol)
    • CAS-95-87-4
    • 25498-21-9
    • METACRESOL IMPURITY G (EP IMPURITY)
    • GEMFIBROZIL IMPURITY A (EP IMPURITY)
    • pXylenol
    • 6Methylmcresol
    • 2,5xylenol
    • 25-Dimethylphenol
    • 3,6Dimethylphenol
    • 3,6Xylenol
    • 25-Dimethyl-phenol
    • 1,2,5Xylenol
    • Phenol, 2,5dimethyl
    • 1,4Dimethyl2hydroxybenzene
    • 1Hydroxy2,5dimethylbenzene
    • SCHEMBL92202
    • WLN: QR B1 E1
    • 2,5DMP
    • CHEMBL192591
    • 2,5-Dimethylphenol, >=99%
    • NSC2599
    • 2,5-Xylenol, >=99%, FG
    • BCP25858
    • Tox21_201275
    • Tox21_300326
    • STK358774
    • AKOS000119348
    • AC-2517
    • CCG-302495
    • FX02136
    • NCGC00091587-01
    • NCGC00091587-02
    • NCGC00091587-03
    • NCGC00254281-01
    • NCGC00258827-01
    • BS-42340
    • DB-027652
    • D0775
    • NS00001298
    • EN300-20194
    • 2,5-Dimethylphenol 100 microg/mL in Methanol
    • A25190
    • E89326
    • 2,5-Dimethylphenol, PESTANAL(R), analytical standard
    • Q26840762
    • F0001-2283
    • Z104477216
    • 202-461-5
    • XYLENOL(2,5-) 1,2,5-Xylenol 1,4-Dimethyl-2-hydroxybenzene 1-Hydroxy-2,5-dimethylbenzene 2,5-dimethyl-pheno

  • Applications

    2,5-Xylenol (CAS 95-87-4) is a phenolic compound broadly employed as an intermediate for manufacturing heat-resistant polycarbonate, epoxy and polyetherimide resins; a starting material for antioxidant additives used in lubricants, rubber and plastics; a constituent of fuel additives that raise octane rating and suppress knocking; a stabilizer in pesticide and disinfectant formulations; a precursor in pharmaceuticals, metal corrosion inhibitors, dyes and specialty plasticizers; it is also utilized in organic synthesis research to prepare tailored dimethylphenyl derivatives owing to the hydroxyl group’s ortho-para directing effect and its readiness for alkylation, acylation and sulfonation reactions, thereby expanding the portfolio of advanced materials and industrial additives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1612.79
    methanol 1233.24
    isopropanol 1491.05
    water 5.56
    ethyl acetate 1292.51
    n-propanol 1337.27
    acetone 1814.71
    n-butanol 988.51
    acetonitrile 2223.6
    DMF 1095.93
    toluene 233.13
    isobutanol 970.64
    1,4-dioxane 2436.75
    methyl acetate 1455.17
    THF 2705.61
    2-butanone 1554.78
    n-pentanol 749.69
    sec-butanol 1198.77
    n-hexane 318.05
    ethylene glycol 184.02
    NMP 645.45
    cyclohexane 139.59
    DMSO 1118.38
    n-butyl acetate 727.22
    n-octanol 452.57
    chloroform 1615.35
    n-propyl acetate 791.06
    acetic acid 697.27
    dichloromethane 1374.7
    cyclohexanone 1013.93
    propylene glycol 330.33
    isopropyl acetate 651.99
    DMAc 581.02
    2-ethoxyethanol 841.21
    isopentanol 745.04
    n-heptane 142.52
    ethyl formate 742.32
    1,2-dichloroethane 949.1
    n-hexanol 881.75
    2-methoxyethanol 1064.65
    isobutyl acetate 478.18
    tetrachloromethane 315.0
    n-pentyl acetate 388.09
    transcutol 1280.41
    n-heptanol 460.37
    ethylbenzene 214.61
    MIBK 613.12
    2-propoxyethanol 1075.98
    tert-butanol 1479.77
    MTBE 1515.7
    2-butoxyethanol 625.17
    propionic acid 872.9
    o-xylene 172.34
    formic acid 197.98
    diethyl ether 1613.08
    m-xylene 203.33
    p-xylene 271.46
    chlorobenzene 321.28
    dimethyl carbonate 309.83
    n-octane 79.74
    formamide 442.32
    cyclopentanone 1292.63
    2-pentanone 1094.77
    anisole 469.51
    cyclopentyl methyl ether 920.58
    gamma-butyrolactone 1428.26
    1-methoxy-2-propanol 968.12
    pyridine 724.81
    3-pentanone 702.22
    furfural 677.77
    n-dodecane 58.76
    diethylene glycol 558.94
    diisopropyl ether 411.52
    tert-amyl alcohol 1121.75
    acetylacetone 735.26
    n-hexadecane 63.36
    acetophenone 310.26
    methyl propionate 822.08
    isopentyl acetate 583.94
    trichloroethylene 1300.76
    n-nonanol 369.08
    cyclohexanol 563.28
    benzyl alcohol 297.71
    2-ethylhexanol 450.2
    isooctanol 371.74
    dipropyl ether 642.39
    1,2-dichlorobenzene 263.42
    ethyl lactate 259.83
    propylene carbonate 648.54
    n-methylformamide 866.83
    2-pentanol 821.66
    n-pentane 201.73
    1-propoxy-2-propanol 738.36
    1-methoxy-2-propyl acetate 522.85
    2-(2-methoxypropoxy) propanol 378.62
    mesitylene 146.98
    ε-caprolactone 796.82
    p-cymene 127.43
    epichlorohydrin 1603.66
    1,1,1-trichloroethane 1034.93
    2-aminoethanol 470.86
    morpholine-4-carbaldehyde 844.41
    sulfolane 1064.87
    2,2,4-trimethylpentane 93.5
    2-methyltetrahydrofuran 1754.99
    n-hexyl acetate 601.59
    isooctane 103.42
    2-(2-butoxyethoxy)ethanol 621.61
    sec-butyl acetate 464.88
    tert-butyl acetate 677.6
    decalin 96.6
    glycerin 312.25
    diglyme 993.82
    acrylic acid 508.36
    isopropyl myristate 240.77
    n-butyric acid 976.79
    acetyl acetate 462.44
    di(2-ethylhexyl) phthalate 147.13
    ethyl propionate 582.09
    nitromethane 1607.09
    1,2-diethoxyethane 792.59
    benzonitrile 332.8
    trioctyl phosphate 145.86
    1-bromopropane 748.37
    gamma-valerolactone 1308.62
    n-decanol 286.13
    triethyl phosphate 167.75
    4-methyl-2-pentanol 447.65
    propionitrile 1295.58
    vinylene carbonate 539.35
    1,1,2-trichlorotrifluoroethane 534.49
    DMS 319.29
    cumene 178.1
    2-octanol 349.09
    2-hexanone 848.69
    octyl acetate 307.06
    limonene 199.13
    1,2-dimethoxyethane 1392.43
    ethyl orthosilicate 172.35
    tributyl phosphate 163.45
    diacetone alcohol 649.03
    N,N-dimethylaniline 303.57
    acrylonitrile 1125.27
    aniline 334.04
    1,3-propanediol 693.02
    bromobenzene 307.43
    dibromomethane 957.87
    1,1,2,2-tetrachloroethane 972.69
    2-methyl-cyclohexyl acetate 305.99
    tetrabutyl urea 183.26
    diisobutyl methanol 262.26
    2-phenylethanol 370.52
    styrene 229.39
    dioctyl adipate 240.52
    dimethyl sulfate 341.05
    ethyl butyrate 488.33
    methyl lactate 302.93
    butyl lactate 250.57
    diethyl carbonate 271.51
    propanediol butyl ether 414.22
    triethyl orthoformate 281.59
    p-tert-butyltoluene 139.2
    methyl 4-tert-butylbenzoate 309.0
    morpholine 2116.66
    tert-butylamine 968.76
    n-dodecanol 223.11
    dimethoxymethane 934.32
    ethylene carbonate 498.85
    cyrene 310.73
    2-ethoxyethyl acetate 439.34
    2-ethylhexyl acetate 421.48
    1,2,4-trichlorobenzene 280.68
    4-methylpyridine 663.19
    dibutyl ether 530.05
    2,6-dimethyl-4-heptanol 262.26
    DEF 731.3
    dimethyl isosorbide 534.19
    tetrachloroethylene 585.87
    eugenol 321.77
    triacetin 316.93
    span 80 364.17
    1,4-butanediol 313.57
    1,1-dichloroethane 1304.49
    2-methyl-1-pentanol 561.49
    methyl formate 657.39
    2-methyl-1-butanol 752.65
    n-decane 100.0
    butyronitrile 1141.98
    3,7-dimethyl-1-octanol 353.84
    1-chlorooctane 295.97
    1-chlorotetradecane 115.36
    n-nonane 108.1
    undecane 74.02
    tert-butylcyclohexane 127.54
    cyclooctane 63.81
    cyclopentanol 760.46
    tetrahydropyran 1884.26
    tert-amyl methyl ether 746.37
    2,5,8-trioxanonane 589.55
    1-hexene 769.27
    2-isopropoxyethanol 672.92
    2,2,2-trifluoroethanol 261.84
    methyl butyrate 755.62

    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
Mullilam leaf (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.1%