2',4',6'-Trihydroxyacetophenone

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  • Identifiers

    CAS number
    480-66-0

    Molecular formula
    C8H8O4

    SMILES
    CC(=O)C1=C(C=C(C=C1O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 55.78%
    Odorless 54.07%
    Burnt 32.32%
    Woody 26.51%
    Medicinal 25.74%
    Spicy 25.49%
    Nutty 25.09%
    Balsamic 24.75%
    Bitter 24.52%
    Smoky 23.77%

     

    Flavor
    Bitter 47.95%
    Phenolic 42.38%
    Mild 33.26%
    Odorless 33.24%
    Nutty 30.01%
    Musty 25.96%
    Flat 22.27%
    Bread crust 21.82%
    Eugenol 21.76%
    Soybean 21.73%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    8.92 (weak base)

    Molecular weight
    168.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    352°C

    Melting point expt.

    • 219 °C

    Flash point

    • 193.64 ˚C est.

  • Synonyms

    • 480-66-0
    • 1-(2,4,6-Trihydroxyphenyl)ethanone
    • 2',4',6'-Trihydroxyacetophenone
    • PHLOROACETOPHENONE
    • 2,4,6-Trihydroxyacetophenone
    • Acetophloroglucine
    • Acetylphloroglucinol
    • 2-Acetylphloroglucinol
    • Ethanone, 1-(2,4,6-trihydroxyphenyl)-
    • 1-(2,4,6-Trihydroxyphenyl)ethan-1-one
    • 2,4,6-trihydroxy-acetophenone
    • 8L7XD8830T
    • NSC-54927
    • DTXSID5060061
    • CHEBI:64344
    • 1-(2,4,6-trihydroxyphenyl]ethanone
    • 2,4,6-THA
    • RefChem:861870
    • DTXCID5040598
    • 207-556-5
    • Phloracetophenone
    • monoacetylphloroglucinol
    • THAP
    • MFCD00002287
    • Phloracetophene
    • NSC 54927
    • Acetophenone, 2',4',6'-trihydroxy-
    • 1-(2,4,6-trihydroxy-phenyl)-ethanone
    • 2-ACETYLPHLOROGLUCINOL MONOHYDRATE
    • CHEMBL452477
    • 2',4',6'-Trihydroxy-Acetophenone
    • 1-[2,4,6-tris(oxidanyl)phenyl]ethanone
    • 1-(2,4,6-Trihydroxyphenyl)-ethanone
    • 1-acetyl-2,4,6-trihydroxybenzene
    • 2,4,6-trihydroxy acetophenone
    • Acetophloroglucinol
    • EINECS 207-556-5
    • 4-mono-hydroxy-acetophenone
    • 2,4,-dihydroxy-acetophenone
    • UNII-8L7XD8830T
    • 2,4,6-TRIHYDROXYACETOPHENONE MONOHYDRATE
    • NSC54927
    • PHLOROACETOPHENONE MONOHYDRATE
    • 2\',4\',6\'-Trihydroxyacetophenone
    • Spectrum2_001989
    • SPECTRUM300604
    • 2',6'-Trihydroxyacetophenone
    • SCHEMBL105416
    • SPBio_002177
    • 2-Acetyl-1,3,5-benzenetriol
    • orb1304951
    • 2, 4, 6-trihydroxyacetophenone
    • Acetophenone,4',6'-trihydroxy-
    • ACon1_001026
    • Ethanone,4,6-trihydroxyphenyl)-
    • 1-(2,6-Trihydroxyphenyl)ethanone
    • ALBB-015674
    • BDBM50249070
    • CCG-39527
    • CK2566
    • EBC-04091
    • s4784
    • SBB056557
    • STL194090
    • AKOS005175228
    • 1-(2,4, 6-Trihydroxyphenyl)ethanone
    • CS-W008226
    • FT10622
    • HY-W008226
    • PS-5270
    • SDCCGMLS-0066935.P001
    • NCGC00095604-01
    • NCGC00095604-02
    • AC-12835
    • SY031234
    • 1-(2,4,6-Trihydroxyphenyl)ethanone, 9CI
    • DB-051513
    • 2`,4`,6`-Trihydroxyacetophenone Monohydrate
    • NS00015208
    • ST50307942
    • T1888
    • Acetophenone, 2',4',6'-trihydroxy- (8CI)
    • EN300-51759
    • C21895
    • AK-087/42007301
    • F237175
    • SR-05000002401
    • Q4596772
    • SR-05000002401-1
    • BRD-K64824948-001-02-2
    • BRD-K64824948-001-03-0
    • InChI=1/C8H8O4/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3,10-12H,1H
    • 2 inverted exclamation mark ,4 inverted exclamation mark ,6 inverted exclamation mark -Trihydroxyacetophenone
    • 83X
    • 480-66-0

  • Applications

    2',4',6'-Trihydroxyacetophenone (CAS 480-66-0) can be used as an organic synthesis intermediate with applications as a building block for polyphenolic antioxidants and stabilizers in polymers, coatings, and cosmetics; it can serve as a precursor for metal-chelating agents or complexes used in coatings and inks; it is a starting material in fragrance chemistry for the synthesis of aroma compounds; it is a precursor for phenolic dyes and pigments used in textiles and paper; and it is evaluated as a synthetic intermediate for polyphenol-based materials in research settings. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 213.57
    methanol 280.02
    isopropanol 168.23
    water 13.08
    ethyl acetate 217.32
    n-propanol 158.36
    acetone 386.97
    n-butanol 136.01
    acetonitrile 281.62
    DMF 708.88
    toluene 4.03
    isobutanol 100.45
    1,4-dioxane 311.94
    methyl acetate 216.96
    THF 877.8
    2-butanone 139.59
    n-pentanol 99.74
    sec-butanol 91.77
    n-hexane 2.24
    ethylene glycol 213.84
    NMP 453.56
    cyclohexane 0.8
    DMSO 919.35
    n-butyl acetate 80.81
    n-octanol 67.42
    chloroform 10.03
    n-propyl acetate 150.14
    acetic acid 365.74
    dichloromethane 22.67
    cyclohexanone 131.18
    propylene glycol 223.92
    isopropyl acetate 131.74
    DMAc 342.16
    2-ethoxyethanol 370.53
    isopentanol 101.91
    n-heptane 3.77
    ethyl formate 238.47
    1,2-dichloroethane 30.11
    n-hexanol 84.92
    2-methoxyethanol 755.03
    isobutyl acetate 74.84
    tetrachloromethane 2.5
    n-pentyl acetate 63.4
    transcutol 549.66
    n-heptanol 42.72
    ethylbenzene 4.26
    MIBK 114.72
    2-propoxyethanol 357.76
    tert-butanol 194.41
    MTBE 64.88
    2-butoxyethanol 137.02
    propionic acid 186.42
    o-xylene 4.88
    formic acid 284.53
    diethyl ether 87.13
    m-xylene 7.51
    p-xylene 5.51
    chlorobenzene 7.91
    dimethyl carbonate 228.83
    n-octane 1.93
    formamide 446.93
    cyclopentanone 354.17
    2-pentanone 182.08
    anisole 41.46
    cyclopentyl methyl ether 160.63
    gamma-butyrolactone 664.53
    1-methoxy-2-propanol 615.07
    pyridine 41.45
    3-pentanone 76.33
    furfural 324.74
    n-dodecane 2.99
    diethylene glycol 448.37
    diisopropyl ether 27.34
    tert-amyl alcohol 92.15
    acetylacetone 335.67
    n-hexadecane 3.3
    acetophenone 50.06
    methyl propionate 214.89
    isopentyl acetate 57.98
    trichloroethylene 36.24
    n-nonanol 60.48
    cyclohexanol 63.18
    benzyl alcohol 48.1
    2-ethylhexanol 39.42
    isooctanol 34.24
    dipropyl ether 65.68
    1,2-dichlorobenzene 9.94
    ethyl lactate 150.27
    propylene carbonate 328.52
    n-methylformamide 500.7
    2-pentanol 90.52
    n-pentane 2.32
    1-propoxy-2-propanol 225.94
    1-methoxy-2-propyl acetate 180.88
    2-(2-methoxypropoxy) propanol 170.08
    mesitylene 6.16
    ε-caprolactone 180.83
    p-cymene 7.85
    epichlorohydrin 434.3
    1,1,1-trichloroethane 17.68
    2-aminoethanol 250.53
    morpholine-4-carbaldehyde 517.92
    sulfolane 630.28
    2,2,4-trimethylpentane 1.96
    2-methyltetrahydrofuran 251.43
    n-hexyl acetate 108.27
    isooctane 2.64
    2-(2-butoxyethoxy)ethanol 272.58
    sec-butyl acetate 74.22
    tert-butyl acetate 140.38
    decalin 1.81
    glycerin 391.24
    diglyme 396.42
    acrylic acid 200.42
    isopropyl myristate 46.18
    n-butyric acid 219.69
    acetyl acetate 170.95
    di(2-ethylhexyl) phthalate 41.18
    ethyl propionate 146.35
    nitromethane 921.82
    1,2-diethoxyethane 129.32
    benzonitrile 43.71
    trioctyl phosphate 44.19
    1-bromopropane 13.63
    gamma-valerolactone 562.71
    n-decanol 47.45
    triethyl phosphate 48.05
    4-methyl-2-pentanol 57.18
    propionitrile 116.73
    vinylene carbonate 218.35
    1,1,2-trichlorotrifluoroethane 233.5
    DMS 104.56
    cumene 5.46
    2-octanol 35.95
    2-hexanone 108.39
    octyl acetate 62.57
    limonene 12.4
    1,2-dimethoxyethane 451.56
    ethyl orthosilicate 42.11
    tributyl phosphate 50.83
    diacetone alcohol 259.64
    N,N-dimethylaniline 29.86
    acrylonitrile 164.58
    aniline 23.18
    1,3-propanediol 342.16
    bromobenzene 4.52
    dibromomethane 10.08
    1,1,2,2-tetrachloroethane 29.93
    2-methyl-cyclohexyl acetate 51.93
    tetrabutyl urea 62.53
    diisobutyl methanol 34.47
    2-phenylethanol 48.73
    styrene 4.0
    dioctyl adipate 70.94
    dimethyl sulfate 300.06
    ethyl butyrate 85.41
    methyl lactate 284.09
    butyl lactate 88.45
    diethyl carbonate 63.72
    propanediol butyl ether 199.74
    triethyl orthoformate 66.22
    p-tert-butyltoluene 8.77
    methyl 4-tert-butylbenzoate 88.53
    morpholine 379.94
    tert-butylamine 69.06
    n-dodecanol 36.27
    dimethoxymethane 621.7
    ethylene carbonate 195.53
    cyrene 202.56
    2-ethoxyethyl acetate 115.81
    2-ethylhexyl acetate 38.11
    1,2,4-trichlorobenzene 13.63
    4-methylpyridine 51.34
    dibutyl ether 55.84
    2,6-dimethyl-4-heptanol 34.47
    DEF 187.57
    dimethyl isosorbide 310.13
    tetrachloroethylene 13.47
    eugenol 100.31
    triacetin 127.5
    span 80 124.16
    1,4-butanediol 142.6
    1,1-dichloroethane 21.18
    2-methyl-1-pentanol 62.1
    methyl formate 536.46
    2-methyl-1-butanol 76.84
    n-decane 4.49
    butyronitrile 124.36
    3,7-dimethyl-1-octanol 55.05
    1-chlorooctane 19.1
    1-chlorotetradecane 9.29
    n-nonane 3.85
    undecane 3.67
    tert-butylcyclohexane 2.58
    cyclooctane 0.75
    cyclopentanol 141.47
    tetrahydropyran 122.09
    tert-amyl methyl ether 54.31
    2,5,8-trioxanonane 313.96
    1-hexene 9.24
    2-isopropoxyethanol 211.93
    2,2,2-trifluoroethanol 206.26
    methyl butyrate 165.46

    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