Maclurin

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  • Identifiers

    CAS number
    519-34-6

    Molecular formula
    C13H10O6

    SMILES
    C1=CC(=C(C=C1C(=O)C2=C(C=C(C=C2O)O)O)O)O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 69.17%
    Phenolic 57.27%
    Burnt 32.88%
    Medicinal 24.73%
    Smoky 24.22%
    Balsamic 22.99%
    Spicy 22.81%
    Bitter 20.86%
    Savory 19.43%
    Vanilla 18.92%

     

    Flavor
    Bitter 91.98%
    Odorless 33.71%
    Bland 23.95%
    Mild 23.91%
    Sweet-like 21.97%
    Cedarleaf 20.8%
    Nitrile 20.7%
    Very strong 20.59%
    Indole 20.25%
    Rotten 20.03%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    10.13 (weak base)

    Molecular weight
    262.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    517°C

    Melting point expt.

    • 222 - 222.5 °C

    Flash point

    • 253.94 ˚C est.

    Solubility expt.

    • 5 mg/mL at 14 °C

  • Synonyms

    • Maclurin
    • 519-34-6
    • Laguncurin
    • 2,3',4,4',6-Pentahydroxybenzophenone
    • Moritannic acid
    • Kino-yellow
    • Morintannic acid
    • (3,4-Dihydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone
    • (3,4-dihydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
    • 27KFF3PMTU
    • C.I. 75240
    • Methanone, (3,4-dihydroxyphenyl)(2,4,6-trihydroxyphenyl)-
    • NSC-83240
    • DTXSID8060163
    • 2-((3,4-dihydroxyphenyl)carbonyl)benzene-1,3,5-triol
    • 2-[(3,4-dihydroxyphenyl)carbonyl]benzene-1,3,5-triol
    • RefChem:154955
    • DTXCID7041097
    • 208-268-2
    • maclura pomifera lectin
    • Macurin
    • Maklurin
    • Patent Fustin
    • 2-(3,4-dihydroxybenzoyl)benzene-1,3,5-triol
    • Moritannic acid; NSC 83240; Patent Fustin
    • UNII-27KFF3PMTU
    • Moringerbic acid
    • EINECS 208-268-2
    • NSC 83240
    • MACLURIN [MI]
    • SCHEMBL758337
    • CHEBI:6624
    • CHEMBL506731
    • orb1306605
    • SCHEMBL29523046
    • XNWPXDGRBWJIES-UHFFFAOYSA-N
    • BP_29
    • (3,4,6-trihydroxyphenyl)methanone
    • HY-N3347
    • NSC83240
    • 2,4,4',6-Pentahydroxybenzophenone
    • MFCD00016438
    • AKOS032948339
    • EBC-616782
    • FP66805
    • FS-9959
    • Benzophenone,3',4,4',6-pentahydroxy-
    • 2,3',4,4', 6-Pentahydroxybenzophenone
    • 2,3',4,4',6-Pentahydroxy-Benzophenone
    • DB-052049
    • Benzophenone, 2,3',4,4',6-pentahydroxy-
    • CS-0023954
    • NS00019379
    • C09951
    • G76850
    • 2,3',4,4',6-Pentahydroxybenzophenone - 85%
    • 519M346
    • F554503
    • Benzophenone, 2,3',4,4',6-pentahydroxy- (8CI)
    • Q27107278
    • Methanone,4-dihydroxyphenyl)(2,4,6-trihydroxyphenyl)-
    • (3,4-dihydroxyphenyl)(2,4,6-trihydroxyphenyl)-Methanone
    • (3,4-Dihydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone, 9CI
    • 519-34-6

  • Applications

    Maclurin (CAS 519-34-6) is a natural polyphenolic compound that may serve as an intermediate or building block in organic synthesis, with potential applications in cosmetics and coatings. It is often evaluated as an antioxidant additive in personal care formulations and as a pigment/dye precursor for colorants used in coatings and inks. Additionally, its phenolic structure supports use as a stabilizer or chelating component in polymer formulations and it is sometimes explored for UV-screening or polymer-protective roles, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 170.61
    methanol 224.67
    isopropanol 164.78
    water 0.14
    ethyl acetate 67.92
    n-propanol 149.15
    acetone 52.91
    n-butanol 125.92
    acetonitrile 18.83
    DMF 307.23
    toluene 0.68
    isobutanol 52.05
    1,4-dioxane 21.86
    methyl acetate 36.26
    THF 565.99
    2-butanone 85.51
    n-pentanol 51.6
    sec-butanol 113.71
    n-hexane 0.17
    ethylene glycol 101.86
    NMP 143.75
    cyclohexane 0.07
    DMSO 1605.58
    n-butyl acetate 22.12
    n-octanol 13.59
    chloroform 0.04
    n-propyl acetate 28.18
    acetic acid 35.17
    dichloromethane 0.03
    cyclohexanone 41.89
    propylene glycol 155.28
    isopropyl acetate 48.69
    DMAc 298.96
    2-ethoxyethanol 239.68
    isopentanol 74.15
    n-heptane 0.31
    ethyl formate 29.68
    1,2-dichloroethane 0.25
    n-hexanol 40.48
    2-methoxyethanol 598.8
    isobutyl acetate 5.66
    tetrachloromethane 0.06
    n-pentyl acetate 11.68
    transcutol 102.5
    n-heptanol 18.45
    ethylbenzene 0.84
    MIBK 49.82
    2-propoxyethanol 210.56
    tert-butanol 158.65
    MTBE 23.15
    2-butoxyethanol 54.44
    propionic acid 44.41
    o-xylene 0.93
    formic acid 57.96
    diethyl ether 24.64
    m-xylene 1.13
    p-xylene 0.62
    chlorobenzene 0.15
    dimethyl carbonate 33.07
    n-octane 0.15
    formamide 170.12
    cyclopentanone 148.06
    2-pentanone 116.62
    anisole 7.36
    cyclopentyl methyl ether 54.8
    gamma-butyrolactone 146.77
    1-methoxy-2-propanol 579.06
    pyridine 7.1
    3-pentanone 36.42
    furfural 38.87
    n-dodecane 0.24
    diethylene glycol 207.34
    diisopropyl ether 6.01
    tert-amyl alcohol 103.73
    acetylacetone 87.86
    n-hexadecane 0.26
    acetophenone 11.35
    methyl propionate 94.07
    isopentyl acetate 15.57
    trichloroethylene 0.36
    n-nonanol 13.36
    cyclohexanol 29.91
    benzyl alcohol 12.01
    2-ethylhexanol 12.78
    isooctanol 12.79
    dipropyl ether 19.7
    1,2-dichlorobenzene 0.22
    ethyl lactate 53.18
    propylene carbonate 30.87
    n-methylformamide 197.9
    2-pentanol 82.79
    n-pentane 0.22
    1-propoxy-2-propanol 126.93
    1-methoxy-2-propyl acetate 62.85
    2-(2-methoxypropoxy) propanol 50.56
    mesitylene 0.85
    ε-caprolactone 45.11
    p-cymene 1.34
    epichlorohydrin 65.35
    1,1,1-trichloroethane 0.19
    2-aminoethanol 200.78
    morpholine-4-carbaldehyde 106.65
    sulfolane 256.15
    2,2,4-trimethylpentane 0.24
    2-methyltetrahydrofuran 88.6
    n-hexyl acetate 16.31
    isooctane 0.22
    2-(2-butoxyethoxy)ethanol 69.54
    sec-butyl acetate 17.91
    tert-butyl acetate 48.65
    decalin 0.15
    glycerin 248.77
    diglyme 86.14
    acrylic acid 29.21
    isopropyl myristate 8.2
    n-butyric acid 73.09
    acetyl acetate 12.73
    di(2-ethylhexyl) phthalate 6.22
    ethyl propionate 40.01
    nitromethane 110.54
    1,2-diethoxyethane 21.1
    benzonitrile 3.3
    trioctyl phosphate 7.35
    1-bromopropane 0.48
    gamma-valerolactone 135.8
    n-decanol 10.16
    triethyl phosphate 9.78
    4-methyl-2-pentanol 32.52
    propionitrile 25.78
    vinylene carbonate 12.07
    1,1,2-trichlorotrifluoroethane 53.18
    DMS 11.73
    cumene 0.75
    2-octanol 10.77
    2-hexanone 33.69
    octyl acetate 11.0
    limonene 2.46
    1,2-dimethoxyethane 157.13
    ethyl orthosilicate 8.62
    tributyl phosphate 7.52
    diacetone alcohol 180.51
    N,N-dimethylaniline 6.41
    acrylonitrile 29.29
    aniline 4.59
    1,3-propanediol 282.34
    bromobenzene 0.07
    dibromomethane 0.03
    1,1,2,2-tetrachloroethane 0.74
    2-methyl-cyclohexyl acetate 10.08
    tetrabutyl urea 13.75
    diisobutyl methanol 11.22
    2-phenylethanol 13.86
    styrene 0.58
    dioctyl adipate 10.71
    dimethyl sulfate 61.71
    ethyl butyrate 24.47
    methyl lactate 145.16
    butyl lactate 24.39
    diethyl carbonate 10.21
    propanediol butyl ether 55.8
    triethyl orthoformate 15.41
    p-tert-butyltoluene 1.64
    methyl 4-tert-butylbenzoate 18.32
    morpholine 101.43
    tert-butylamine 26.24
    n-dodecanol 7.05
    dimethoxymethane 261.43
    ethylene carbonate 12.77
    cyrene 55.29
    2-ethoxyethyl acetate 17.61
    2-ethylhexyl acetate 8.68
    1,2,4-trichlorobenzene 0.39
    4-methylpyridine 7.56
    dibutyl ether 8.33
    2,6-dimethyl-4-heptanol 11.22
    DEF 106.54
    dimethyl isosorbide 73.81
    tetrachloroethylene 0.44
    eugenol 21.41
    triacetin 16.0
    span 80 29.88
    1,4-butanediol 70.73
    1,1-dichloroethane 0.16
    2-methyl-1-pentanol 29.15
    methyl formate 76.19
    2-methyl-1-butanol 59.87
    n-decane 0.38
    butyronitrile 27.78
    3,7-dimethyl-1-octanol 11.97
    1-chlorooctane 1.64
    1-chlorotetradecane 0.73
    n-nonane 0.28
    undecane 0.3
    tert-butylcyclohexane 0.17
    cyclooctane 0.08
    cyclopentanol 63.57
    tetrahydropyran 23.98
    tert-amyl methyl ether 29.52
    2,5,8-trioxanonane 69.71
    1-hexene 1.13
    2-isopropoxyethanol 99.07
    2,2,2-trifluoroethanol 14.2
    methyl butyrate 48.0

    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