Lecanoric Acid

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  • Identifiers

    CAS number
    480-56-8

    Molecular formula
    C16H14O7

    SMILES
    CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 52.5%
    Phenolic 50.19%
    Woody 28.19%
    Balsamic 27.79%
    Dry 26.44%
    Animal 24.21%
    Burnt 21.93%
    Fruity 21.91%
    Sweet 21.41%
    Powdery 20.19%

     

    Flavor
    Bitter 66.73%
    Odorless 44.77%
    Mild 31.48%
    Bland 27.93%
    Phenolic 25.03%
    Sweet-like 21.53%
    Very mild 21.05%
    Nitrile 20.98%
    Cedarleaf 20.91%
    Parsley 20.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.2 (weak base)

    Molecular weight
    318.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    599°C

    Flash point

    • 265.39 ˚C est.

  • Synonyms

    • Lecanoric acid
    • 480-56-8
    • Orsellinate depside
    • D0M65TKS0F
    • 4-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-6-methylbenzoic acid
    • NSC-249981
    • DTXSID60197384
    • 2,4-Dihydroxy-6-methylbenzoic acid 4-carboxy-3-hydroxy-5-methylphenyl ester
    • Benzoic acid, 2,4-dihydroxy-6-methyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester
    • beta-Resorcylic acid, 6-methyl-, 4-(6-methyl-beta-resorcylate)
    • RefChem:152684
    • DTXCID70119875
    • Lecanoricacid
    • o-orsellinate depside
    • 4-[(2,4-dihydroxy-6-methylbenzoyl)oxy]-2-hydroxy-6-methylbenzoic acid
    • 4-((2,4-Dihydroxy-6-methylbenzoyl)oxy)-2-hydroxy-6-methylbenzoic acid
    • NSC 249981
    • BRN 2172778
    • beta-Resorcylic acid, 6-methyl-, 4-(6-methyl-beta-resorcylate) (7CI,8CI); NSC 249981
    • alpha-Orsellinic acid
    • Spectrum_000499
    • starbld0009608
    • SpecPlus_000150
    • Spectrum2_000211
    • Spectrum3_000162
    • Spectrum4_001485
    • Spectrum5_000189
    • UNII-D0M65TKS0F
    • BSPBio_001623
    • KBioGR_002089
    • KBioSS_000979
    • SPECTRUM200070
    • 4-10-00-01527 (Beilstein Handbook Reference)
    • MLS000563107
    • DivK1c_006246
    • SPBio_000221
    • orb1682224
    • SCHEMBL3797774
    • CHEMBL1451874
    • SCHEMBL29393660
    • CHEBI:15871
    • KBio1_001190
    • KBio2_000979
    • KBio2_003547
    • KBio2_006115
    • KBio3_001123
    • GLXC-19080
    • HY-N3394
    • 4-(2,4-dihydroxy-6-methylbenzoyloxy)-2-hydroxy-6-methylbenzoic acid
    • CCG-38414
    • LMPK13080001
    • MSK179361
    • NSC249981
    • AKOS015916261
    • FL65772
    • SDCCGMLS-0066390.P001
    • NCGC00095468-01
    • NCGC00095468-02
    • NCGC00095468-03
    • NCGC00095468-05
    • AC-20266
    • DA-74939
    • SMR001215955
    • CS-0024095
    • NS00134214
    • C02868
    • H58596
    • SR-01000841840
    • SR-01000841840-2
    • BRD-K77578964-001-02-8
    • Q27098274
    • 4-(6-Methyl-ss-resorcylate)-6-methyl-ss-resorcylic acid
    • .beta.-Resorcylic acid, 4-(6-methyl-.beta.-resorcylate)
    • 4-Carboxy-3-hydroxy-5-methylphenyl 2,4-dihydroxy-5-methylbenzoate
    • .beta.-Resorcylic acid, 6-methyl-, 4-(6-methyl-.beta.-resorcylate)
    • 4-(2,4-dihydroxy-6-methyl-benzoyl)oxy-2-hydroxy-6-methyl-benzoic acid
    • -Resorcylic acid, 6-methyl-, 4-(6-methyl--resorcylate) (7CI,8CI); NSC 249981
    • Benzoic acid,4-dihydroxy-6-methyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester
    • 480-56-8

  • Applications

    Lecanoric Acid (CAS 480-56-8) is primarily encountered as a natural product and building block in organic synthesis; in industrial contexts it is commonly evaluated as an intermediate for further chemical elaboration. Its polyfunctional structure enables it to function as a functional additive in polymers/plastics, coatings/inks, and adhesive formulations, where it can contribute to cross-linking or formulation compatibility. Additionally, as a multifunctional acid, it may act as a stabilizer or co-formant in formulated products, and it is used as a reference material in analytical workflows.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27.66
    methanol 39.63
    isopropanol 24.63
    water 0.05
    ethyl acetate 38.05
    n-propanol 28.95
    acetone 66.03
    n-butanol 24.02
    acetonitrile 22.62
    DMF 524.44
    toluene 1.42
    isobutanol 16.12
    1,4-dioxane 50.88
    methyl acetate 39.92
    THF 386.34
    2-butanone 48.34
    n-pentanol 19.29
    sec-butanol 17.98
    n-hexane 0.21
    ethylene glycol 53.56
    NMP 329.78
    cyclohexane 0.05
    DMSO 1338.61
    n-butyl acetate 24.49
    n-octanol 8.37
    chloroform 2.41
    n-propyl acetate 34.55
    acetic acid 75.5
    dichloromethane 3.26
    cyclohexanone 38.88
    propylene glycol 119.75
    isopropyl acetate 28.2
    DMAc 269.21
    2-ethoxyethanol 188.59
    isopentanol 18.35
    n-heptane 0.26
    ethyl formate 31.72
    1,2-dichloroethane 5.28
    n-hexanol 11.44
    2-methoxyethanol 445.55
    isobutyl acetate 15.04
    tetrachloromethane 0.24
    n-pentyl acetate 17.2
    transcutol 416.21
    n-heptanol 7.96
    ethylbenzene 0.91
    MIBK 30.83
    2-propoxyethanol 240.49
    tert-butanol 37.59
    MTBE 10.7
    2-butoxyethanol 70.6
    propionic acid 48.67
    o-xylene 0.95
    formic acid 69.2
    diethyl ether 12.12
    m-xylene 1.78
    p-xylene 1.03
    chlorobenzene 1.44
    dimethyl carbonate 66.94
    n-octane 0.12
    formamide 139.94
    cyclopentanone 161.91
    2-pentanone 50.61
    anisole 10.57
    cyclopentyl methyl ether 38.71
    gamma-butyrolactone 295.64
    1-methoxy-2-propanol 444.31
    pyridine 17.28
    3-pentanone 21.63
    furfural 129.84
    n-dodecane 0.16
    diethylene glycol 272.13
    diisopropyl ether 3.06
    tert-amyl alcohol 22.5
    acetylacetone 109.13
    n-hexadecane 0.19
    acetophenone 17.08
    methyl propionate 72.62
    isopentyl acetate 20.51
    trichloroethylene 10.42
    n-nonanol 8.89
    cyclohexanol 9.88
    benzyl alcohol 14.3
    2-ethylhexanol 6.28
    isooctanol 6.52
    dipropyl ether 13.97
    1,2-dichlorobenzene 1.79
    ethyl lactate 59.82
    propylene carbonate 78.49
    n-methylformamide 195.65
    2-pentanol 15.48
    n-pentane 0.17
    1-propoxy-2-propanol 159.28
    1-methoxy-2-propyl acetate 102.25
    2-(2-methoxypropoxy) propanol 99.43
    mesitylene 1.01
    ε-caprolactone 58.53
    p-cymene 1.13
    epichlorohydrin 198.03
    1,1,1-trichloroethane 2.38
    2-aminoethanol 94.88
    morpholine-4-carbaldehyde 321.75
    sulfolane 611.6
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 54.68
    n-hexyl acetate 24.01
    isooctane 0.17
    2-(2-butoxyethoxy)ethanol 149.57
    sec-butyl acetate 16.95
    tert-butyl acetate 41.51
    decalin 0.12
    glycerin 305.1
    diglyme 200.68
    acrylic acid 59.65
    isopropyl myristate 11.28
    n-butyric acid 55.8
    acetyl acetate 21.22
    di(2-ethylhexyl) phthalate 12.9
    ethyl propionate 35.49
    nitromethane 277.06
    1,2-diethoxyethane 48.5
    benzonitrile 7.61
    trioctyl phosphate 11.95
    1-bromopropane 2.18
    gamma-valerolactone 327.61
    n-decanol 6.84
    triethyl phosphate 14.23
    4-methyl-2-pentanol 10.47
    propionitrile 16.96
    vinylene carbonate 47.3
    1,1,2-trichlorotrifluoroethane 131.81
    DMS 33.18
    cumene 0.74
    2-octanol 5.62
    2-hexanone 30.24
    octyl acetate 14.84
    limonene 1.75
    1,2-dimethoxyethane 178.66
    ethyl orthosilicate 12.42
    tributyl phosphate 15.36
    diacetone alcohol 144.37
    N,N-dimethylaniline 7.78
    acrylonitrile 33.8
    aniline 6.62
    1,3-propanediol 127.88
    bromobenzene 1.01
    dibromomethane 1.64
    1,1,2,2-tetrachloroethane 9.76
    2-methyl-cyclohexyl acetate 16.21
    tetrabutyl urea 24.1
    diisobutyl methanol 6.58
    2-phenylethanol 14.75
    styrene 0.95
    dioctyl adipate 21.41
    dimethyl sulfate 163.97
    ethyl butyrate 25.78
    methyl lactate 169.9
    butyl lactate 40.77
    diethyl carbonate 15.11
    propanediol butyl ether 95.94
    triethyl orthoformate 22.63
    p-tert-butyltoluene 1.51
    methyl 4-tert-butylbenzoate 32.94
    morpholine 111.24
    tert-butylamine 7.81
    n-dodecanol 4.68
    dimethoxymethane 307.87
    ethylene carbonate 35.6
    cyrene 116.34
    2-ethoxyethyl acetate 47.15
    2-ethylhexyl acetate 11.79
    1,2,4-trichlorobenzene 2.92
    4-methylpyridine 15.84
    dibutyl ether 9.71
    2,6-dimethyl-4-heptanol 6.58
    DEF 77.2
    dimethyl isosorbide 220.96
    tetrachloroethylene 2.94
    eugenol 41.46
    triacetin 48.22
    span 80 65.06
    1,4-butanediol 39.84
    1,1-dichloroethane 2.82
    2-methyl-1-pentanol 12.27
    methyl formate 125.55
    2-methyl-1-butanol 15.06
    n-decane 0.27
    butyronitrile 14.51
    3,7-dimethyl-1-octanol 8.75
    1-chlorooctane 1.61
    1-chlorotetradecane 0.76
    n-nonane 0.22
    undecane 0.21
    tert-butylcyclohexane 0.17
    cyclooctane 0.05
    cyclopentanol 28.09
    tetrahydropyran 17.56
    tert-amyl methyl ether 12.51
    2,5,8-trioxanonane 163.33
    1-hexene 1.18
    2-isopropoxyethanol 94.6
    2,2,2-trifluoroethanol 32.96
    methyl butyrate 44.23

    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