2,3-Dimethylphenol

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  • Identifiers

    CAS number
    526-75-0

    Molecular formula
    C8H10O

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

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 88.93%
    Medicinal 67.62%
    Smoky 66.87%
    Spicy 60.66%
    Leathery 55.75%
    Woody 52.49%
    Burnt 43.79%
    Musty 40.01%
    Animal 39.07%
    Sweet 36.89%

     

    Flavor
    Phenolic 76.22%
    Medicinal 59.48%
    Smoke 43.01%
    Phenol 40.98%
    Smoky 39.21%
    Bacon 33.41%
    Sweet 33.1%
    Leather 31.77%
    Medicine 30.71%
    Naphthyl 29.87%

     

    Odor impact est.
    High

    Odor threshold

    • 0.5 mg/l (detection in water)

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    9.99 (weak base)

    Molecular weight
    122.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • 167 °F (NTP, 1992)
    • 20-76 °C
    • 75 °C (also reported as 72.57 °C)
    • 75 °C
    • 25-75 °C

    Boiling point

    • 424 °F at 760 mmHg (NTP, 1992)
    • 203-225 °C
    • 218 °C
    • 216.00 to 218.00 °C. @ 760.00 mm Hg

    Flash point

    • 85.63 ˚C est.
    • 186 °F (CLOSED CUP)
    • 61-95 °C c.c.

    Solubility expt.

    • less than 1 mg/mL at 73 °F (NTP, 1992)
    • Freely sol in alcohol, chloroform, ether, benzene; sol in sodium hydroxide soln; slightly sol in water.
    • Sol in ethyl alcohol, ethyl ether
    • In water, 4.57X10+3 mg/l @ 25 °C.
    • Very sol in benzene, chloroform
    • 4.57 mg/mL at 25 °C
    • Solubility in water, g/100ml at 25 °C: 4-8

  • Synonyms

    • 2,3-DIMETHYLPHENOL
    • 526-75-0
    • 2,3-Xylenol
    • 1-Hydroxy-2,3-dimethylbenzene
    • Dimethylphenol
    • 1300-71-6
    • Phenol, 2,3-dimethyl-
    • o-Xylenol
    • Vic-o-Xylenol
    • Phenol, dimethyl-
    • o-3-Xylenol
    • Xyellenol 100
    • 3-Hydroxyl-o-xylene
    • 2,3-Dimethyl phenol
    • NSC 62011
    • HSDB 5676
    • Benzene, 1,2-dimethyl-3-hydroxy-
    • EINECS 208-395-3
    • UNII-RLF9YS3586
    • BRN 1906267
    • CCRIS 8897
    • RLF9YS3586
    • DTXSID6025143
    • 1,2,3-Xylenol
    • MFCD00002227
    • NSC-62011
    • UN 2261 (Salt/Mix)
    • DIMETHYLPHENOL, 2,3-
    • DTXCID105143
    • 1,2-Dimethyl-3-hydroxybenzene
    • CHEMBL1490403
    • XYLENOL 2,3-DIMETHYLPHENOL
    • 2,3-DIMETHYLPHENOL [HSDB]
    • 4-06-00-03096 (Beilstein Handbook Reference)
    • XYLENOL 2,3-DIMETHYLPHENOL [MI]
    • METACRESOL IMPURITY I [EP IMPURITY]
    • CAS-526-75-0
    • METACRESOL IMPURITY I (EP IMPURITY)
    • oXylenol
    • VicoXylenol
    • o3Xylenol
    • 2,3Xylenol
    • 2,3-Dicresol
    • 3-Hydroxy-O-xylene
    • 2,3-dimethyl-phenol
    • Phenol, 2,3dimethyl
    • 1Hydroxy2,3dimethylbenzene
    • SCHEMBL3498
    • 2,3-Dimethylphenol, 99%
    • MLS002415685
    • Benzene, 1,2dimethyl3hydroxy
    • WLN: QR B1 C1
    • CHEBI:228969
    • HMS2267B21
    • NSC62011
    • STR02184
    • Tox21_201831
    • Tox21_303513
    • BDBM50548722
    • STL194290
    • AKOS000120730
    • FH29135
    • 2,3-Dimethylphenol, analytical standard
    • 2,3-Dimethylphenol;3-Hydroxy-2-xylene
    • NCGC00090804-01
    • NCGC00090804-02
    • NCGC00257319-01
    • NCGC00259380-01
    • AC-10665
    • SMR000112054
    • D0773
    • NS00002360
    • EN300-18054
    • A829199
    • 2,3-Dimethylphenol, PESTANAL(R), analytical standard
    • Q26841194
    • Z57127552
    • F0001-1358

  • Applications

    2,3-Dimethylphenol (CAS 526-75-0) is used as an intermediate in the production of dyes and pigments, and as a precursor for polymer and coating formulations. It also serves as a fragrance/odorant component in perfumery, and is a building block for pharmaceutical and agrochemical intermediates.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 584.44
    methanol 738.29
    isopropanol 377.7
    water 5.93
    ethyl acetate 409.22
    n-propanol 519.73
    acetone 212.7
    n-butanol 426.2
    acetonitrile 498.62
    DMF 253.45
    toluene 80.06
    isobutanol 275.71
    1,4-dioxane 1198.59
    methyl acetate 351.32
    THF 948.32
    2-butanone 316.75
    n-pentanol 313.76
    sec-butanol 325.34
    n-hexane 87.55
    ethylene glycol 65.94
    NMP 172.43
    cyclohexane 52.53
    DMSO 344.59
    n-butyl acetate 281.91
    n-octanol 129.88
    chloroform 621.79
    n-propyl acetate 221.63
    acetic acid 275.35
    dichloromethane 555.43
    cyclohexanone 315.22
    propylene glycol 62.63
    isopropyl acetate 187.73
    DMAc 149.16
    2-ethoxyethanol 376.24
    isopentanol 298.8
    n-heptane 61.12
    ethyl formate 228.68
    1,2-dichloroethane 402.05
    n-hexanol 367.13
    2-methoxyethanol 491.7
    isobutyl acetate 119.42
    tetrachloromethane 157.57
    n-pentyl acetate 148.51
    transcutol 918.69
    n-heptanol 171.42
    ethylbenzene 60.8
    MIBK 170.03
    2-propoxyethanol 458.37
    tert-butanol 484.66
    MTBE 466.79
    2-butoxyethanol 265.54
    propionic acid 283.22
    o-xylene 62.2
    formic acid 174.06
    diethyl ether 755.26
    m-xylene 68.71
    p-xylene 74.13
    chlorobenzene 130.86
    dimethyl carbonate 90.9
    n-octane 24.17
    formamide 351.83
    cyclopentanone 353.6
    2-pentanone 254.59
    anisole 174.15
    cyclopentyl methyl ether 330.36
    gamma-butyrolactone 477.7
    1-methoxy-2-propanol 313.98
    pyridine 326.39
    3-pentanone 202.22
    furfural 312.32
    n-dodecane 13.76
    diethylene glycol 249.72
    diisopropyl ether 158.68
    tert-amyl alcohol 362.23
    acetylacetone 165.83
    n-hexadecane 15.29
    acetophenone 114.8
    methyl propionate 251.56
    isopentyl acetate 228.34
    trichloroethylene 491.25
    n-nonanol 120.32
    cyclohexanol 193.93
    benzyl alcohol 115.95
    2-ethylhexanol 172.25
    isooctanol 136.81
    dipropyl ether 282.3
    1,2-dichlorobenzene 116.35
    ethyl lactate 72.42
    propylene carbonate 193.83
    n-methylformamide 292.12
    2-pentanol 278.37
    n-pentane 72.56
    1-propoxy-2-propanol 293.68
    1-methoxy-2-propyl acetate 227.55
    2-(2-methoxypropoxy) propanol 186.3
    mesitylene 52.55
    ε-caprolactone 289.38
    p-cymene 52.52
    epichlorohydrin 566.15
    1,1,1-trichloroethane 338.95
    2-aminoethanol 184.21
    morpholine-4-carbaldehyde 360.0
    sulfolane 334.15
    2,2,4-trimethylpentane 31.86
    2-methyltetrahydrofuran 573.47
    n-hexyl acetate 184.08
    isooctane 34.04
    2-(2-butoxyethoxy)ethanol 306.38
    sec-butyl acetate 135.84
    tert-butyl acetate 221.9
    decalin 32.36
    glycerin 100.52
    diglyme 521.11
    acrylic acid 180.18
    isopropyl myristate 81.28
    n-butyric acid 363.04
    acetyl acetate 141.82
    di(2-ethylhexyl) phthalate 62.96
    ethyl propionate 186.34
    nitromethane 442.12
    1,2-diethoxyethane 438.08
    benzonitrile 126.77
    trioctyl phosphate 53.23
    1-bromopropane 297.36
    gamma-valerolactone 490.74
    n-decanol 87.7
    triethyl phosphate 78.94
    4-methyl-2-pentanol 151.77
    propionitrile 399.08
    vinylene carbonate 188.68
    1,1,2-trichlorotrifluoroethane 209.32
    DMS 120.01
    cumene 55.21
    2-octanol 103.6
    2-hexanone 234.12
    octyl acetate 97.24
    limonene 80.62
    1,2-dimethoxyethane 550.08
    ethyl orthosilicate 87.33
    tributyl phosphate 67.61
    diacetone alcohol 220.42
    N,N-dimethylaniline 105.41
    acrylonitrile 349.75
    aniline 144.76
    1,3-propanediol 291.26
    bromobenzene 116.05
    dibromomethane 401.1
    1,1,2,2-tetrachloroethane 359.94
    2-methyl-cyclohexyl acetate 127.28
    tetrabutyl urea 71.74
    diisobutyl methanol 104.77
    2-phenylethanol 159.77
    styrene 71.21
    dioctyl adipate 94.66
    dimethyl sulfate 105.36
    ethyl butyrate 195.79
    methyl lactate 83.44
    butyl lactate 100.44
    diethyl carbonate 124.73
    propanediol butyl ether 141.69
    triethyl orthoformate 139.62
    p-tert-butyltoluene 56.22
    methyl 4-tert-butylbenzoate 130.26
    morpholine 1029.14
    tert-butylamine 357.69
    n-dodecanol 66.83
    dimethoxymethane 354.07
    ethylene carbonate 186.23
    cyrene 124.59
    2-ethoxyethyl acetate 208.48
    2-ethylhexyl acetate 171.29
    1,2,4-trichlorobenzene 122.94
    4-methylpyridine 229.14
    dibutyl ether 183.79
    2,6-dimethyl-4-heptanol 104.77
    DEF 229.44
    dimethyl isosorbide 294.84
    tetrachloroethylene 273.86
    eugenol 140.77
    triacetin 123.5
    span 80 150.63
    1,4-butanediol 98.33
    1,1-dichloroethane 380.33
    2-methyl-1-pentanol 236.32
    methyl formate 174.95
    2-methyl-1-butanol 278.46
    n-decane 25.55
    butyronitrile 344.05
    3,7-dimethyl-1-octanol 120.03
    1-chlorooctane 83.87
    1-chlorotetradecane 33.07
    n-nonane 25.79
    undecane 17.91
    tert-butylcyclohexane 40.37
    cyclooctane 22.73
    cyclopentanol 212.06
    tetrahydropyran 789.0
    tert-amyl methyl ether 272.93
    2,5,8-trioxanonane 334.72
    1-hexene 222.52
    2-isopropoxyethanol 242.75
    2,2,2-trifluoroethanol 115.04
    methyl butyrate 218.6

    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
Chicory root, roasted 1b 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.01%