6-Chloro-2,3-dimethylphenol

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  • Identifiers

    CAS number
    56961-15-0

    Molecular formula
    C8H9ClO

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

  • Odor profile

    Fragrance
    Phenolic 79.87%
    Smoky 61.8%
    Spicy 54.74%
    Medicinal 51.33%
    Burnt 48.59%
    Woody 42.02%
    Leathery 39.23%
    Sweet 33.49%
    Dry 29.91%
    Musty 26.69%

     

    Flavor
    Phenolic 49.83%
    Medicinal 35.92%
    Bitter 34.67%
    Meaty 29.75%
    Smoke 28.87%
    Mild 28.51%
    Smoky 26.21%
    Flat 24.33%
    Roasted 23.77%
    Sweet 23.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.73 (weak base)

    Molecular weight
    156.61 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    236°C

    Flash point

    • 104.1 ˚C est.

  • Synonyms

    • 6-Chloro-2,3-dimethylphenol
    • 56961-15-0
    • Phenol, 6-chloro-2,3-dimethyl-
    • SCHEMBL34164
    • DB-327193

  • Applications

    6-Chloro-2,3-dimethylphenol (CAS 56961-15-0) is primarily used as a chemical building block in industrial manufacturing, typically as an intermediate for the synthesis of dyes and pigments, and as a precursor for agrochemical/pharmaceutical intermediates and specialty polymers. It also serves as a processing intermediate in coatings and inks, enabling its incorporation into resin systems or further functionalization of polymer formulations. These applications reflect its role as a reactive phenolic building block suitable for targeted derivatization under controlled processing conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 156.33
    methanol 129.05
    isopropanol 113.97
    water 1.21
    ethyl acetate 205.76
    n-propanol 154.64
    acetone 157.49
    n-butanol 126.52
    acetonitrile 127.21
    DMF 246.57
    toluene 63.3
    isobutanol 93.43
    1,4-dioxane 555.58
    methyl acetate 203.85
    THF 576.69
    2-butanone 208.89
    n-pentanol 114.57
    sec-butanol 112.64
    n-hexane 20.44
    ethylene glycol 24.7
    NMP 130.96
    cyclohexane 14.95
    DMSO 182.34
    n-butyl acetate 176.25
    n-octanol 70.96
    chloroform 331.96
    n-propyl acetate 145.24
    acetic acid 105.92
    dichloromethane 280.22
    cyclohexanone 208.18
    propylene glycol 25.48
    isopropyl acetate 112.53
    DMAc 156.39
    2-ethoxyethanol 195.39
    isopentanol 102.49
    n-heptane 24.71
    ethyl formate 114.79
    1,2-dichloroethane 225.04
    n-hexanol 150.87
    2-methoxyethanol 236.15
    isobutyl acetate 88.31
    tetrachloromethane 89.09
    n-pentyl acetate 114.9
    transcutol 518.17
    n-heptanol 97.66
    ethylbenzene 56.8
    MIBK 109.3
    2-propoxyethanol 238.94
    tert-butanol 196.38
    MTBE 216.87
    2-butoxyethanol 171.25
    propionic acid 99.62
    o-xylene 57.76
    formic acid 52.22
    diethyl ether 255.2
    m-xylene 55.28
    p-xylene 76.05
    chlorobenzene 90.61
    dimethyl carbonate 71.45
    n-octane 12.52
    formamide 151.58
    cyclopentanone 270.31
    2-pentanone 160.48
    anisole 146.38
    cyclopentyl methyl ether 181.68
    gamma-butyrolactone 325.35
    1-methoxy-2-propanol 170.41
    pyridine 194.62
    3-pentanone 122.91
    furfural 237.89
    n-dodecane 7.87
    diethylene glycol 149.69
    diisopropyl ether 69.87
    tert-amyl alcohol 158.61
    acetylacetone 152.79
    n-hexadecane 9.05
    acetophenone 107.51
    methyl propionate 150.27
    isopentyl acetate 153.75
    trichloroethylene 409.36
    n-nonanol 69.77
    cyclohexanol 85.88
    benzyl alcohol 89.32
    2-ethylhexanol 90.39
    isooctanol 81.22
    dipropyl ether 125.83
    1,2-dichlorobenzene 91.6
    ethyl lactate 53.94
    propylene carbonate 134.4
    n-methylformamide 146.04
    2-pentanol 92.46
    n-pentane 15.98
    1-propoxy-2-propanol 167.81
    1-methoxy-2-propyl acetate 168.53
    2-(2-methoxypropoxy) propanol 129.99
    mesitylene 42.21
    ε-caprolactone 197.0
    p-cymene 48.99
    epichlorohydrin 418.37
    1,1,1-trichloroethane 230.76
    2-aminoethanol 66.08
    morpholine-4-carbaldehyde 259.18
    sulfolane 248.53
    2,2,4-trimethylpentane 13.29
    2-methyltetrahydrofuran 311.47
    n-hexyl acetate 134.08
    isooctane 14.07
    2-(2-butoxyethoxy)ethanol 203.42
    sec-butyl acetate 93.68
    tert-butyl acetate 156.52
    decalin 16.33
    glycerin 46.18
    diglyme 381.0
    acrylic acid 75.53
    isopropyl myristate 58.78
    n-butyric acid 134.06
    acetyl acetate 99.24
    di(2-ethylhexyl) phthalate 51.43
    ethyl propionate 117.12
    nitromethane 225.43
    1,2-diethoxyethane 235.18
    benzonitrile 87.96
    trioctyl phosphate 42.03
    1-bromopropane 120.85
    gamma-valerolactone 349.24
    n-decanol 52.59
    triethyl phosphate 60.66
    4-methyl-2-pentanol 66.11
    propionitrile 116.03
    vinylene carbonate 135.71
    1,1,2-trichlorotrifluoroethane 175.47
    DMS 94.58
    cumene 47.84
    2-octanol 66.96
    2-hexanone 144.23
    octyl acetate 71.7
    limonene 61.38
    1,2-dimethoxyethane 357.14
    ethyl orthosilicate 66.81
    tributyl phosphate 47.98
    diacetone alcohol 160.18
    N,N-dimethylaniline 103.22
    acrylonitrile 131.6
    aniline 83.78
    1,3-propanediol 113.05
    bromobenzene 90.66
    dibromomethane 190.94
    1,1,2,2-tetrachloroethane 279.01
    2-methyl-cyclohexyl acetate 96.73
    tetrabutyl urea 60.32
    diisobutyl methanol 61.81
    2-phenylethanol 122.4
    styrene 61.3
    dioctyl adipate 74.69
    dimethyl sulfate 99.46
    ethyl butyrate 125.38
    methyl lactate 55.98
    butyl lactate 76.53
    diethyl carbonate 85.71
    propanediol butyl ether 105.86
    triethyl orthoformate 94.24
    p-tert-butyltoluene 53.24
    methyl 4-tert-butylbenzoate 118.11
    morpholine 481.31
    tert-butylamine 117.81
    n-dodecanol 40.01
    dimethoxymethane 235.16
    ethylene carbonate 115.21
    cyrene 113.62
    2-ethoxyethyl acetate 165.5
    2-ethylhexyl acetate 121.19
    1,2,4-trichlorobenzene 101.86
    4-methylpyridine 157.09
    dibutyl ether 94.34
    2,6-dimethyl-4-heptanol 61.81
    DEF 148.2
    dimethyl isosorbide 219.47
    tetrachloroethylene 216.31
    eugenol 126.34
    triacetin 111.73
    span 80 103.57
    1,4-butanediol 47.43
    1,1-dichloroethane 200.46
    2-methyl-1-pentanol 101.26
    methyl formate 111.07
    2-methyl-1-butanol 95.71
    n-decane 13.86
    butyronitrile 108.56
    3,7-dimethyl-1-octanol 69.84
    1-chlorooctane 52.14
    1-chlorotetradecane 21.7
    n-nonane 13.26
    undecane 10.07
    tert-butylcyclohexane 21.04
    cyclooctane 8.37
    cyclopentanol 103.58
    tetrahydropyran 356.63
    tert-amyl methyl ether 138.81
    2,5,8-trioxanonane 239.87
    1-hexene 73.01
    2-isopropoxyethanol 154.09
    2,2,2-trifluoroethanol 66.13
    methyl butyrate 144.21

    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