Tetroquinone

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  • Identifiers

    CAS number
    319-89-1

    Molecular formula
    C6H4O6

    SMILES
    C1(=C(C(=O)C(=C(C1=O)O)O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 51.19%
    Caramellic 50.91%
    Burnt 44.3%
    Sweet 28.66%
    Sharp 21.92%
    Roasted 19.79%
    Savory 18.86%
    Sulfurous 15.81%
    Clean 15.27%
    Sour 15.2%

     

    Flavor
    Odorless 30.98%
    Caramel 30.77%
    Maple 28.88%
    Very mild 27.92%
    Sugar 23.87%
    Maple syrup 23.48%
    Caramellic 23.28%
    Cotton candy 22.51%
    Seedy 22.38%
    Extremely sweet 22.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.6

    pKa est.
    6.79 (neutral)

    Molecular weight
    172.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    414°C

    Flash point

    • 184.99 ˚C est.

  • Synonyms

    • Tetrahydroxyquinone
    • tetroquinone
    • 319-89-1
    • 2,3,5,6-tetrahydroxycyclohexa-2,5-diene-1,4-dione
    • Tetrahydroxy-1,4-benzoquinone
    • Kelox
    • Tetrahydroxy-p-benzoquinone
    • Tetroquinona
    • Terasin
    • HPEK-1
    • Tetrahydroxy-p-quinone
    • Tetrahydroxyparabenzoquinone
    • Tetroquinonum
    • Tetrahydroxy-1,4-quinone
    • 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrahydroxy-
    • 2,3,5,6-Tetrahydroxy-p-benzoquinone
    • NSC-112931
    • 2,3,5,6-tetrahydroxy-1,4-benzoquinone
    • U7L4P6H0SU
    • DTXSID9045897
    • NSC112931
    • NCGC00095043-01
    • p-Benzoquinone, 2,3,5,6-tetrahydroxy-
    • Tetrahydroxy-1,4-benzoquinone;Tetrahydroxybenzoquinone
    • DTXCID7025897
    • Tetrochinone
    • Tetrochinone [DCIT]
    • CAS-319-89-1
    • Tetroquinone [USAN:INN]
    • UNII-U7L4P6H0SU
    • Tetroquinonum [INN-Latin]
    • Tetroquinona [INN-Spanish]
    • Tetraoxychinon
    • SR-05000002066
    • tetrahydroxy quinone
    • EINECS 206-275-5
    • MFCD00001597
    • NSC 112931
    • Spectrum_001691
    • Prestwick0_000835
    • Prestwick1_000835
    • Prestwick2_000835
    • Prestwick3_000835
    • Spectrum2_000866
    • Spectrum3_000750
    • Spectrum4_000847
    • Spectrum5_001627
    • TETROQUINONE [MI]
    • Tetroquinone (USAN/INN)
    • TETROQUINONE [INN]
    • TETROQUINONE [USAN]
    • BSPBio_000789
    • BSPBio_002340
    • KBioGR_001453
    • KBioSS_002171
    • DivK1c_000623
    • SCHEMBL167587
    • SPECTRUM1503330
    • SPBio_000911
    • SPBio_002710
    • 2,3,5,6-Tetrahydroxy-2,5-cyclohexadiene-1,4-dione
    • BPBio1_000869
    • SCHEMBL4657549
    • CHEMBL1329029
    • HMS501P05
    • KBio1_000623
    • KBio2_002171
    • KBio2_004739
    • KBio2_007307
    • KBio3_001560
    • Tetrahydroxy-1,4-quinone hydrate
    • CHEBI:137472
    • NINDS_000623
    • HMS1922A16
    • HMS2093E07
    • Pharmakon1600-01503330
    • 2,5,6-Tetrahydroxy-p-benzoquinone
    • HY-B1106
    • Tox21_111400
    • CCG-39742
    • NSC758457
    • p-Benzoquinone,3,5,6-tetrahydroxy-
    • STL453704
    • AKOS006228209
    • Tox21_111400_1
    • CS-4703
    • DS-3819
    • FT61735
    • NSC-758457
    • 2,4-dione, 2,3,5,6-tetrahydroxy-
    • IDI1_000623
    • NCGC00095043-02
    • NCGC00095043-03
    • NCGC00095043-04
    • NCGC00095043-07
    • 2,3,5,6-Tetrahydroxybenzo-1,4-quinone
    • AC-18203
    • 2,3,5,6-tetrahydroxy-[1,4]benzoquinone
    • SBI-0051815.P002
    • DB-068561
    • 1,4-Benzoquinone, 2,3,5,6-tetrahydroxy-
    • 2,3,5,6-Tetrahydroxybenzo-1,4-quinone #
    • NS00029202
    • T1090
    • D06096
    • F17741
    • AB00052347_04
    • Q3546866
    • SR-05000002066-1
    • 2,3,5,6-Tetrahydroxy-2,5-cyclohexadien-1,4-dione

  • Applications

    Tetroquinone (CAS 319-89-1) is used as an intermediate in organic synthesis, including development of pharmaceuticals and agrochemicals. It may serve as an oxidizing agent or redox mediator in industrial processing. It is a building block for quinone-containing polymers and related materials in plastics and coatings. In coatings and inks, it can act as a processing aid and stabilizer to improve performance. It is also of interest as a charge-transfer component in certain electronic materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.54
    methanol 19.28
    isopropanol 9.72
    water 13.32
    ethyl acetate 2.27
    n-propanol 8.58
    acetone 4.92
    n-butanol 7.0
    acetonitrile 1.58
    DMF 63.94
    toluene 0.35
    isobutanol 4.45
    1,4-dioxane 5.8
    methyl acetate 3.27
    THF 17.94
    2-butanone 4.56
    n-pentanol 4.34
    sec-butanol 7.54
    n-hexane 0.58
    ethylene glycol 26.14
    NMP 44.97
    cyclohexane 0.54
    DMSO 245.68
    n-butyl acetate 2.13
    n-octanol 5.44
    chloroform 0.71
    n-propyl acetate 0.97
    acetic acid 3.29
    dichloromethane 1.05
    cyclohexanone 3.61
    propylene glycol 13.34
    isopropyl acetate 1.79
    DMAc 62.55
    2-ethoxyethanol 17.99
    isopentanol 4.7
    n-heptane 1.57
    ethyl formate 2.48
    1,2-dichloroethane 1.6
    n-hexanol 6.13
    2-methoxyethanol 45.13
    isobutyl acetate 0.25
    tetrachloromethane 0.8
    n-pentyl acetate 2.01
    transcutol 11.68
    n-heptanol 5.83
    ethylbenzene 0.42
    MIBK 2.63
    2-propoxyethanol 18.52
    tert-butanol 10.88
    MTBE 3.73
    2-butoxyethanol 11.19
    propionic acid 3.85
    o-xylene 0.75
    formic acid 15.74
    diethyl ether 4.36
    m-xylene 0.54
    p-xylene 0.33
    chlorobenzene 0.14
    dimethyl carbonate 3.92
    n-octane 0.93
    formamide 31.2
    cyclopentanone 7.22
    2-pentanone 4.36
    anisole 0.92
    cyclopentyl methyl ether 5.76
    gamma-butyrolactone 9.18
    1-methoxy-2-propanol 30.27
    pyridine 1.9
    3-pentanone 3.5
    furfural 5.2
    n-dodecane 0.51
    diethylene glycol 26.96
    diisopropyl ether 1.49
    tert-amyl alcohol 9.17
    acetylacetone 3.43
    n-hexadecane 0.54
    acetophenone 1.31
    methyl propionate 5.02
    isopentyl acetate 1.27
    trichloroethylene 1.15
    n-nonanol 5.07
    cyclohexanol 4.56
    benzyl alcohol 1.67
    2-ethylhexanol 2.81
    isooctanol 3.42
    dipropyl ether 4.15
    1,2-dichlorobenzene 0.25
    ethyl lactate 3.01
    propylene carbonate 2.32
    n-methylformamide 24.5
    2-pentanol 6.04
    n-pentane 1.01
    1-propoxy-2-propanol 12.4
    1-methoxy-2-propyl acetate 4.24
    2-(2-methoxypropoxy) propanol 6.81
    mesitylene 0.57
    ε-caprolactone 3.66
    p-cymene 0.86
    epichlorohydrin 7.38
    1,1,1-trichloroethane 0.54
    2-aminoethanol 21.29
    morpholine-4-carbaldehyde 23.8
    sulfolane 35.96
    2,2,4-trimethylpentane 0.37
    2-methyltetrahydrofuran 6.5
    n-hexyl acetate 2.5
    isooctane 0.28
    2-(2-butoxyethoxy)ethanol 9.95
    sec-butyl acetate 0.64
    tert-butyl acetate 2.63
    decalin 0.29
    glycerin 28.54
    diglyme 15.04
    acrylic acid 3.75
    isopropyl myristate 1.32
    n-butyric acid 3.58
    acetyl acetate 0.78
    di(2-ethylhexyl) phthalate 1.07
    ethyl propionate 1.57
    nitromethane 7.98
    1,2-diethoxyethane 3.31
    benzonitrile 0.52
    trioctyl phosphate 1.87
    1-bromopropane 1.19
    gamma-valerolactone 9.49
    n-decanol 3.79
    triethyl phosphate 1.71
    4-methyl-2-pentanol 3.08
    propionitrile 1.79
    vinylene carbonate 1.36
    1,1,2-trichlorotrifluoroethane 11.31
    DMS 1.74
    cumene 0.41
    2-octanol 3.98
    2-hexanone 1.68
    octyl acetate 1.98
    limonene 1.4
    1,2-dimethoxyethane 15.66
    ethyl orthosilicate 1.7
    tributyl phosphate 1.21
    diacetone alcohol 9.8
    N,N-dimethylaniline 1.98
    acrylonitrile 2.54
    aniline 1.22
    1,3-propanediol 22.13
    bromobenzene 0.1
    dibromomethane 0.92
    1,1,2,2-tetrachloroethane 2.0
    2-methyl-cyclohexyl acetate 1.01
    tetrabutyl urea 3.15
    diisobutyl methanol 2.38
    2-phenylethanol 2.25
    styrene 0.28
    dioctyl adipate 1.35
    dimethyl sulfate 15.02
    ethyl butyrate 1.76
    methyl lactate 10.6
    butyl lactate 3.23
    diethyl carbonate 1.01
    propanediol butyl ether 8.84
    triethyl orthoformate 1.84
    p-tert-butyltoluene 0.99
    methyl 4-tert-butylbenzoate 3.77
    morpholine 11.1
    tert-butylamine 5.3
    n-dodecanol 2.76
    dimethoxymethane 26.18
    ethylene carbonate 1.25
    cyrene 6.73
    2-ethoxyethyl acetate 2.55
    2-ethylhexyl acetate 1.03
    1,2,4-trichlorobenzene 0.36
    4-methylpyridine 1.49
    dibutyl ether 2.14
    2,6-dimethyl-4-heptanol 2.38
    DEF 13.66
    dimethyl isosorbide 8.59
    tetrachloroethylene 1.88
    eugenol 3.93
    triacetin 1.87
    span 80 5.17
    1,4-butanediol 9.91
    1,1-dichloroethane 0.6
    2-methyl-1-pentanol 2.54
    methyl formate 10.69
    2-methyl-1-butanol 4.5
    n-decane 0.9
    butyronitrile 1.67
    3,7-dimethyl-1-octanol 2.66
    1-chlorooctane 1.64
    1-chlorotetradecane 0.72
    n-nonane 0.92
    undecane 0.68
    tert-butylcyclohexane 0.24
    cyclooctane 0.49
    cyclopentanol 7.25
    tetrahydropyran 3.22
    tert-amyl methyl ether 4.98
    2,5,8-trioxanonane 11.82
    1-hexene 0.83
    2-isopropoxyethanol 7.23
    2,2,2-trifluoroethanol 5.42
    methyl butyrate 1.96

    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