Potassium phenoxide

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  • Identifiers

    CAS number
    100-67-4

    Molecular formula
    C6H5KO

    SMILES
    C1=CC=C(C=C1)[O-].[K+]

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 71.19%
    Medicinal 49.79%
    Sweet 45.4%
    Animal 43.1%
    Floral 38.48%
    Woody 32.33%
    Leathery 32.26%
    Smoky 31.75%
    Musty 31.63%
    Rose 26.77%

     

    Flavor
    Phenolic 57.7%
    Medicinal 39.81%
    Plastic 34.29%
    Phenol 32.92%
    Sweet 26.26%
    Rubber 25.4%
    Chemical 24.74%
    Naphthyl 24.69%
    Guaiacol 24.4%
    Penetrating 23.98%

     

    Odor impact est.
    High

  • Properties

    pKa est.
    6.5 (neutral)

    Molecular weight
    132.2 g/mol

    Flash point

    • 24.87 ˚C est.

  • Synonyms

    • Potassium phenoxide
    • 100-67-4
    • potassium phenate
    • UNII-9CQ00ODF3U
    • EINECS 202-877-7
    • 9CQ00ODF3U
    • POTASSIUM CARBOLATE
    • POTASSIUM PHENOXIDE [MI]
    • DTXSID30881405
    • RefChem:175576
    • DTXCID801022661
    • POTASSIUM PHENOXIDE [INCI]
    • 202-877-7
    • Potassium phenolate
    • potassium benzenolate
    • potassium;phenoxide
    • MFCD00036027
    • Phenol, potassium salt
    • Potassiumphenolate
    • KOPh
    • SCHEMBL21731
    • SCHEMBL5852511
    • AAA10067
    • SB40767
    • AC-37335
    • SY099113
    • CS-0048749
    • NS00079073
    • P16744
    • Q27272365
    • Phenoxypotassium; Potassium Carbolate; Potassium Phenate; Potassium Phenylate
    • 100-67-4

  • Applications

    Potassium phenoxide (CAS 100-67-4) is the potassium salt of phenoxide used primarily as a base and nucleophile in organic synthesis and as an industrial intermediate. It participates in forming aryl ethers via Williamson-type alkylation (for example producing anisole and related aryl-alkyl ethers used as fragrance ingredients and in coatings and inks); it serves as an intermediate in phenolic resin production and related polymers under alkaline conditions, supporting coatings and adhesives; it is used to generate reactive phenoxide species for coupling, alkylation, or acylation steps in polymer and dye chemistry; and, owing to its base/nucleophile character, it can deprotonate phenols and other weak acids to form phenoxide species for subsequent transformations in complex organic syntheses, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 331.66
    methanol 333.48
    isopropanol 262.87
    water 6.0
    ethyl acetate 412.32
    n-propanol 270.03
    acetone 566.38
    n-butanol 228.32
    acetonitrile 687.0
    DMF 662.45
    toluene 51.09
    isobutanol 200.67
    1,4-dioxane 605.38
    methyl acetate 576.07
    THF 441.52
    2-butanone 496.98
    n-pentanol 191.94
    sec-butanol 264.17
    n-hexane 40.05
    ethylene glycol 118.0
    NMP 513.79
    cyclohexane 31.34
    DMSO 696.23
    n-butyl acetate 273.31
    n-octanol 170.41
    chloroform 739.21
    n-propyl acetate 323.76
    acetic acid 832.05
    dichloromethane 650.36
    cyclohexanone 408.92
    propylene glycol 145.86
    isopropyl acetate 194.01
    DMAc 475.24
    2-ethoxyethanol 301.61
    isopentanol 201.87
    n-heptane 28.2
    ethyl formate 269.78
    1,2-dichloroethane 400.98
    n-hexanol 184.81
    2-methoxyethanol 438.38
    isobutyl acetate 177.26
    tetrachloromethane 67.53
    n-pentyl acetate 198.37
    transcutol 2235.86
    n-heptanol 118.37
    ethylbenzene 72.69
    MIBK 173.9
    2-propoxyethanol 295.61
    tert-butanol 322.66
    MTBE 235.3
    2-butoxyethanol 235.18
    propionic acid 551.5
    o-xylene 57.5
    formic acid 214.51
    diethyl ether 286.17
    m-xylene 46.5
    p-xylene 108.06
    chlorobenzene 179.9
    dimethyl carbonate 155.39
    n-octane 14.32
    formamide 453.13
    cyclopentanone 466.02
    2-pentanone 285.42
    anisole 242.66
    cyclopentyl methyl ether 172.05
    gamma-butyrolactone 705.22
    1-methoxy-2-propanol 330.71
    pyridine 469.86
    3-pentanone 236.24
    furfural 575.31
    n-dodecane 15.45
    diethylene glycol 248.87
    diisopropyl ether 82.04
    tert-amyl alcohol 282.86
    acetylacetone 387.28
    n-hexadecane 16.52
    acetophenone 253.35
    methyl propionate 310.06
    isopentyl acetate 221.74
    trichloroethylene 776.83
    n-nonanol 145.64
    cyclohexanol 166.25
    benzyl alcohol 169.28
    2-ethylhexanol 134.69
    isooctanol 106.03
    dipropyl ether 153.5
    1,2-dichlorobenzene 185.68
    ethyl lactate 155.0
    propylene carbonate 387.03
    n-methylformamide 450.58
    2-pentanol 180.8
    n-pentane 25.66
    1-propoxy-2-propanol 247.07
    1-methoxy-2-propyl acetate 234.94
    2-(2-methoxypropoxy) propanol 343.13
    mesitylene 38.21
    ε-caprolactone 412.16
    p-cymene 52.9
    epichlorohydrin 583.76
    1,1,1-trichloroethane 321.93
    2-aminoethanol 215.12
    morpholine-4-carbaldehyde 581.58
    sulfolane 657.85
    2,2,4-trimethylpentane 18.55
    2-methyltetrahydrofuran 352.65
    n-hexyl acetate 339.67
    isooctane 15.58
    2-(2-butoxyethoxy)ethanol 517.59
    sec-butyl acetate 186.34
    tert-butyl acetate 211.35
    decalin 25.71
    glycerin 207.84
    diglyme 861.29
    acrylic acid 538.26
    isopropyl myristate 131.37
    n-butyric acid 453.93
    acetyl acetate 275.27
    di(2-ethylhexyl) phthalate 103.98
    ethyl propionate 239.45
    nitromethane 1411.13
    1,2-diethoxyethane 452.93
    benzonitrile 260.9
    trioctyl phosphate 80.06
    1-bromopropane 186.96
    gamma-valerolactone 588.76
    n-decanol 108.15
    triethyl phosphate 97.85
    4-methyl-2-pentanol 113.25
    propionitrile 363.38
    vinylene carbonate 365.18
    1,1,2-trichlorotrifluoroethane 468.52
    DMS 306.35
    cumene 63.74
    2-octanol 96.9
    2-hexanone 324.34
    octyl acetate 162.09
    limonene 73.62
    1,2-dimethoxyethane 509.0
    ethyl orthosilicate 89.54
    tributyl phosphate 112.93
    diacetone alcohol 276.11
    N,N-dimethylaniline 146.16
    acrylonitrile 518.87
    aniline 141.01
    1,3-propanediol 272.83
    bromobenzene 152.42
    dibromomethane 381.38
    1,1,2,2-tetrachloroethane 548.7
    2-methyl-cyclohexyl acetate 159.43
    tetrabutyl urea 143.49
    diisobutyl methanol 86.86
    2-phenylethanol 158.71
    styrene 100.53
    dioctyl adipate 202.91
    dimethyl sulfate 238.87
    ethyl butyrate 221.64
    methyl lactate 191.88
    butyl lactate 181.51
    diethyl carbonate 170.92
    propanediol butyl ether 307.17
    triethyl orthoformate 142.95
    p-tert-butyltoluene 46.61
    methyl 4-tert-butylbenzoate 223.88
    morpholine 586.74
    tert-butylamine 183.5
    n-dodecanol 82.91
    dimethoxymethane 277.4
    ethylene carbonate 282.41
    cyrene 203.9
    2-ethoxyethyl acetate 315.92
    2-ethylhexyl acetate 171.47
    1,2,4-trichlorobenzene 215.33
    4-methylpyridine 298.73
    dibutyl ether 227.17
    2,6-dimethyl-4-heptanol 86.86
    DEF 346.05
    dimethyl isosorbide 396.43
    tetrachloroethylene 331.69
    eugenol 248.88
    triacetin 369.41
    span 80 266.78
    1,4-butanediol 115.68
    1,1-dichloroethane 361.3
    2-methyl-1-pentanol 178.11
    methyl formate 325.64
    2-methyl-1-butanol 201.44
    n-decane 23.85
    butyronitrile 275.06
    3,7-dimethyl-1-octanol 159.65
    1-chlorooctane 98.93
    1-chlorotetradecane 41.21
    n-nonane 23.6
    undecane 18.58
    tert-butylcyclohexane 27.03
    cyclooctane 10.63
    cyclopentanol 201.0
    tetrahydropyran 367.47
    tert-amyl methyl ether 176.08
    2,5,8-trioxanonane 593.47
    1-hexene 131.8
    2-isopropoxyethanol 223.4
    2,2,2-trifluoroethanol 248.35
    methyl butyrate 333.73

    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