Diffractaic Acid

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  • Identifiers

    CAS number
    436-32-8

    Molecular formula
    C20H22O7

    SMILES
    CC1=CC(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C=C2C)OC)C)OC

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 48.94%
    Sweet 45.82%
    Woody 43.57%
    Dry 35.44%
    Spicy 34.96%
    Powdery 34.71%
    Floral 33.45%
    Balsamic 33.06%
    Odorless 32.17%
    Smoky 27.5%

     

    Flavor
    Bitter 57.69%
    Odorless 35.75%
    Bland 29.01%
    Mild 23.02%
    Parsley 21.89%
    Eugenol 21.11%
    Sweet-like 20.48%
    Cedarleaf 20.25%
    Red fruit 20.06%
    Ripe apricot 20.06%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    5.66 (weak acid)

    Molecular weight
    374.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1113°C

    Flash point

    • 227.75 ˚C est.

  • Synonyms

    • Diffractaic acid
    • 436-32-8
    • 4-(2,4-dimethoxy-3,6-dimethylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoic acid
    • PD86RC383X
    • DTXSID40195883
    • NSC-5901
    • NSC-685595
    • Benzoic acid, 2,4-dimethoxy-3,6-dimethyl-, 4-carboxy-3-hydroxy-2,5-dimethylphenyl ester
    • beta-Resorcylic acid, 3,6-dimethyl-, 4-(2,4-dimethoxy-3,6-dimethylbenzoate)
    • RefChem:920174
    • DTXCID80118374
    • Diffractic acid
    • Dirbizomic acid
    • Dirhizomic acid
    • DIFFRACTOIC ACID
    • DIFFRACTANIC ACID
    • Difractaic acid
    • NSC5901
    • 4-((2,4-dimethoxy-3,6-dimethylbenzoyl)oxy)-2-hydroxy-3,6-dimethylbenzoic acid
    • NSC685595
    • NSC 5901; NSC 685595
    • 4-[(2,4-dimethoxy-3,6-dimethylbenzoyl)oxy]-2-hydroxy-3,6-dimethylbenzoic acid
    • DiffracticAcid
    • Dirhizonic acid
    • 4-(2,4-dimethoxy-3,6-dimethyl-benzoyl)oxy-2-hydroxy-3,6-dimethyl-benzoic acid
    • NSC 5901
    • NSC 685595
    • BRN 2915070
    • Diffractasaure
    • Barbatic acid;
    • Diffractic acid;
    • DIFFRATIC ACID
    • Spectrum_000043
    • SpecPlus_000832
    • Spectrum2_000730
    • Spectrum3_001103
    • Spectrum4_001934
    • Spectrum5_000723
    • 4-(2,4-DIMETHOXY-3,6-DIMETHYLBENZOYLOXY)-2-HYDROXY-3,6-DIMETHYLBENZOIC ACID
    • UNII-PD86RC383X
    • BSPBio_002806
    • KBioGR_002309
    • KBioSS_000423
    • 3-10-00-01544 (Beilstein Handbook Reference)
    • MLS001049104
    • DivK1c_006928
    • SPECTRUM1504118
    • SPBio_000660
    • CHEMBL367741
    • orb1303148
    • SCHEMBL3459615
    • KBio1_001872
    • KBio2_000423
    • KBio2_002991
    • KBio2_005559
    • KBio3_002026
    • CHEBI:107634
    • HY-N2399
    • CCG-39676
    • MFCD01684770
    • STL564827
    • AKOS015969704
    • EBC-615433
    • NCGC00095683-01
    • NCGC00095683-02
    • NCGC00095683-03
    • AC-34168
    • DA-72757
    • MS-26050
    • SMR000386936
    • XD165792
    • CS-0022601
    • SR-01000758212
    • SR-01000758212-2
    • BRD-K51370144-001-02-3
    • BRD-K51370144-001-06-4
    • Q27185958
    • 4-(2,4-Dimethoxy-3,6-dimethylphenylcarbonyloxy)-2-hydroxy-3,6-dimethylbenzoic acid
    • 4-[(2,4-dimethoxy-3,6-dimethylphenyl)-oxomethoxy]-2-hydroxy-3,6-dimethylbenzoic acid
    • 4-{[(2,4-dimethoxy-3,6-dimethylphenyl)carbonyl]oxy}-2-hydroxy-3,6-dimethylbenzoic acid
    • 436-32-8

  • Applications

    Diffractaic acid (CAS 436-32-8) is a lichen-derived natural product of the depsidone class, primarily of interest in natural product chemistry and synthesis. In industry, it may be used as a synthetic intermediate for the preparation of depsidone derivatives and related compounds; it also serves as an analytical reference standard and a research reagent for the chemical characterization of natural products. It has been evaluated in academic and industrial screening for biological activities such as antimicrobial and antioxidant effects and as a scaffold for lead optimization. Additionally, it may be explored as a potential functional additive in coatings or polymer formulations based on polyphenols, subject to regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.94
    methanol 11.04
    isopropanol 11.48
    water 0.01
    ethyl acetate 30.47
    n-propanol 15.03
    acetone 52.82
    n-butanol 13.04
    acetonitrile 15.37
    DMF 140.63
    toluene 7.83
    isobutanol 10.98
    1,4-dioxane 60.54
    methyl acetate 30.88
    THF 269.79
    2-butanone 43.74
    n-pentanol 14.11
    sec-butanol 12.36
    n-hexane 1.4
    ethylene glycol 3.99
    NMP 128.75
    cyclohexane 0.9
    DMSO 197.5
    n-butyl acetate 21.91
    n-octanol 5.95
    chloroform 64.2
    n-propyl acetate 21.06
    acetic acid 21.57
    dichloromethane 62.08
    cyclohexanone 60.96
    propylene glycol 6.26
    isopropyl acetate 21.14
    DMAc 122.54
    2-ethoxyethanol 31.92
    isopentanol 12.45
    n-heptane 0.95
    ethyl formate 16.05
    1,2-dichloroethane 52.01
    n-hexanol 12.91
    2-methoxyethanol 54.37
    isobutyl acetate 13.89
    tetrachloromethane 7.39
    n-pentyl acetate 16.32
    transcutol 28.36
    n-heptanol 7.76
    ethylbenzene 5.53
    MIBK 27.21
    2-propoxyethanol 52.16
    tert-butanol 19.92
    MTBE 18.84
    2-butoxyethanol 20.8
    propionic acid 15.69
    o-xylene 5.6
    formic acid 9.38
    diethyl ether 23.51
    m-xylene 6.54
    p-xylene 7.21
    chlorobenzene 15.4
    dimethyl carbonate 31.89
    n-octane 0.59
    formamide 19.49
    cyclopentanone 131.12
    2-pentanone 41.59
    anisole 17.62
    cyclopentyl methyl ether 48.59
    gamma-butyrolactone 133.96
    1-methoxy-2-propanol 47.5
    pyridine 32.9
    3-pentanone 32.49
    furfural 62.58
    n-dodecane 0.53
    diethylene glycol 35.53
    diisopropyl ether 6.51
    tert-amyl alcohol 17.31
    acetylacetone 53.48
    n-hexadecane 0.66
    acetophenone 19.88
    methyl propionate 39.36
    isopentyl acetate 21.85
    trichloroethylene 90.46
    n-nonanol 6.62
    cyclohexanol 12.4
    benzyl alcohol 14.56
    2-ethylhexanol 9.03
    isooctanol 7.09
    dipropyl ether 15.25
    1,2-dichlorobenzene 16.42
    ethyl lactate 14.51
    propylene carbonate 40.13
    n-methylformamide 39.87
    2-pentanol 9.64
    n-pentane 0.96
    1-propoxy-2-propanol 32.98
    1-methoxy-2-propyl acetate 37.01
    2-(2-methoxypropoxy) propanol 23.06
    mesitylene 4.34
    ε-caprolactone 45.88
    p-cymene 4.69
    epichlorohydrin 163.12
    1,1,1-trichloroethane 38.58
    2-aminoethanol 8.49
    morpholine-4-carbaldehyde 89.63
    sulfolane 208.32
    2,2,4-trimethylpentane 0.89
    2-methyltetrahydrofuran 74.31
    n-hexyl acetate 17.95
    isooctane 0.66
    2-(2-butoxyethoxy)ethanol 22.63
    sec-butyl acetate 14.23
    tert-butyl acetate 29.75
    decalin 1.21
    glycerin 15.32
    diglyme 46.72
    acrylic acid 16.13
    isopropyl myristate 8.53
    n-butyric acid 20.46
    acetyl acetate 19.34
    di(2-ethylhexyl) phthalate 10.82
    ethyl propionate 23.66
    nitromethane 66.01
    1,2-diethoxyethane 20.0
    benzonitrile 13.33
    trioctyl phosphate 8.47
    1-bromopropane 22.1
    gamma-valerolactone 111.07
    n-decanol 5.0
    triethyl phosphate 13.95
    4-methyl-2-pentanol 7.56
    propionitrile 17.15
    vinylene carbonate 31.35
    1,1,2-trichlorotrifluoroethane 66.05
    DMS 23.89
    cumene 4.37
    2-octanol 5.8
    2-hexanone 28.98
    octyl acetate 10.78
    limonene 6.76
    1,2-dimethoxyethane 66.58
    ethyl orthosilicate 12.9
    tributyl phosphate 9.59
    diacetone alcohol 40.89
    N,N-dimethylaniline 13.33
    acrylonitrile 23.98
    aniline 12.92
    1,3-propanediol 16.62
    bromobenzene 14.73
    dibromomethane 39.65
    1,1,2,2-tetrachloroethane 73.82
    2-methyl-cyclohexyl acetate 18.12
    tetrabutyl urea 15.52
    diisobutyl methanol 6.65
    2-phenylethanol 17.63
    styrene 6.0
    dioctyl adipate 13.88
    dimethyl sulfate 74.89
    ethyl butyrate 17.91
    methyl lactate 25.33
    butyl lactate 13.31
    diethyl carbonate 11.79
    propanediol butyl ether 12.65
    triethyl orthoformate 15.52
    p-tert-butyltoluene 5.03
    methyl 4-tert-butylbenzoate 25.18
    morpholine 71.66
    tert-butylamine 8.32
    n-dodecanol 3.78
    dimethoxymethane 103.15
    ethylene carbonate 25.74
    cyrene 36.29
    2-ethoxyethyl acetate 23.69
    2-ethylhexyl acetate 17.05
    1,2,4-trichlorobenzene 20.06
    4-methylpyridine 31.1
    dibutyl ether 8.25
    2,6-dimethyl-4-heptanol 6.65
    DEF 49.05
    dimethyl isosorbide 55.74
    tetrachloroethylene 39.66
    eugenol 21.08
    triacetin 20.35
    span 80 16.2
    1,4-butanediol 7.61
    1,1-dichloroethane 35.34
    2-methyl-1-pentanol 13.07
    methyl formate 33.9
    2-methyl-1-butanol 12.28
    n-decane 0.92
    butyronitrile 16.52
    3,7-dimethyl-1-octanol 6.41
    1-chlorooctane 5.01
    1-chlorotetradecane 2.25
    n-nonane 0.79
    undecane 0.7
    tert-butylcyclohexane 1.2
    cyclooctane 0.48
    cyclopentanol 23.14
    tetrahydropyran 39.71
    tert-amyl methyl ether 19.1
    2,5,8-trioxanonane 36.14
    1-hexene 5.77
    2-isopropoxyethanol 22.84
    2,2,2-trifluoroethanol 13.22
    methyl butyrate 26.31

    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