Psoromic Acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    7299-11-8

    Molecular formula
    C18H14O8

    SMILES
    CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=CC(=C3C)OC)C(=O)O)C=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 52.69%
    Phenolic 43.05%
    Sweet 34.08%
    Spicy 27.31%
    Vanilla 26.84%
    Burnt 25.22%
    Dry 23.92%
    Balsamic 23.89%
    Powdery 23.28%
    Milky 21.41%

     

    Flavor
    Bitter 74.35%
    Odorless 34.25%
    Bland 24.68%
    Parsley 20.94%
    Lovage 20.53%
    Sweet-like 20.43%
    Cedarleaf 20.14%
    Seedy 19.89%
    Ripe apricot 19.68%
    Red fruit 19.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.35 (neutral)

    Molecular weight
    358.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    795°C

    Flash point

    • 239.48 ˚C est.

  • Synonyms

    • Psoromic acid
    • Parellic acid
    • 7299-11-8
    • NSC-92186
    • 7SWA85EH4H
    • 4-Formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid
    • DTXSID70223264
    • 10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-1-carboxylic acid
    • 11H-Dibenzo(b,e)(1,4)dioxepin-6-carboxylic acid, 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-
    • 11H-Dibenzo[b,e][1,4]dioxepin-6-carboxylic acid, 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-
    • 10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxobenzo(b)(1,4)benzodioxepine-1-carboxylic acid
    • 4-Formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo(b,e)(1,4)dioxepine-6-carboxylic acid
    • RefChem:930212
    • DTXCID70145755
    • Psoromic acid (parellic acid)
    • CHEMBL176570
    • NSC92186
    • MFCD00046941
    • 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-6-carboxylic acid
    • 10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-benzo[b][1,4]benzodioxepine-1-carboxylic acid
    • PSOROMICACID
    • Parellic acid, 3
    • NSC 92186
    • Spectrum_000493
    • SpecPlus_000286
    • Spectrum2_000214
    • Spectrum3_000160
    • Spectrum4_001484
    • Spectrum5_000187
    • NCIOpen2_009926
    • BSPBio_001900
    • KBioGR_002087
    • KBioSS_000973
    • cid_23725
    • MLS000563148
    • DivK1c_006382
    • SPBio_000227
    • orb1681844
    • SCHEMBL2113679
    • SCHEMBL29934794
    • CHEBI:92074
    • KBio1_001326
    • KBio2_000973
    • KBio2_003541
    • KBio2_006109
    • KBio3_001120
    • HMS2268L13
    • BDBM50056939
    • CCG-38361
    • AKOS030632334
    • 4-Formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxodibenzo[b,f]1,4-dioxepin-6-carboxylic acid
    • NCGC00178916-01
    • SMR000470881
    • HY-130199
    • CS-0105660
    • Q27163869
    • 10-formyl-9-hydroxy-3-methoxy-4,7-dimethyl-6-oxo-1-benzo[b][1,4]benzodioxepincarboxylic acid
    • 10-formyl-9-hydroxy-6-keto-3-methoxy-4,7-dimethyl-benzo[b][1,4]benzodioxepin-1-carboxylic acid
    • 15-formyl-14-hydroxy-6-methoxy-7,12-dimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene-4-carboxylic acid
    • 7299-11-8

  • Applications

    Psoromic acid (CAS 7299-11-8) is a natural depsidone metabolite isolated from lichens, reported to exhibit antimicrobial and antifungal activities and antioxidant properties. In practice, it is commonly evaluated as a bioactive lead or intermediate in natural product synthesis and pharmaceutical research; as an active ingredient or scaffold in cosmetics/personal care formulations; as a potential antifungal/biocidal agent in agricultural applications; and as a building block for the synthesis of related polyketide compounds, with potential use as a bioactive additive in coatings or inks. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.34
    methanol 6.72
    isopropanol 4.81
    water 0.06
    ethyl acetate 19.97
    n-propanol 6.55
    acetone 32.52
    n-butanol 4.59
    acetonitrile 13.06
    DMF 165.49
    toluene 3.06
    isobutanol 4.57
    1,4-dioxane 44.1
    methyl acetate 32.04
    THF 139.82
    2-butanone 30.72
    n-pentanol 4.14
    sec-butanol 4.99
    n-hexane 0.16
    ethylene glycol 9.84
    NMP 277.16
    cyclohexane 0.21
    DMSO 306.59
    n-butyl acetate 15.23
    n-octanol 2.11
    chloroform 15.73
    n-propyl acetate 17.9
    acetic acid 49.47
    dichloromethane 18.63
    cyclohexanone 44.29
    propylene glycol 8.81
    isopropyl acetate 12.8
    DMAc 207.26
    2-ethoxyethanol 32.61
    isopentanol 4.92
    n-heptane 0.17
    ethyl formate 13.41
    1,2-dichloroethane 17.62
    n-hexanol 3.47
    2-methoxyethanol 65.4
    isobutyl acetate 9.71
    tetrachloromethane 1.91
    n-pentyl acetate 9.09
    transcutol 47.28
    n-heptanol 3.15
    ethylbenzene 2.15
    MIBK 11.99
    2-propoxyethanol 44.79
    tert-butanol 9.13
    MTBE 5.43
    2-butoxyethanol 19.55
    propionic acid 23.61
    o-xylene 2.89
    formic acid 38.23
    diethyl ether 5.74
    m-xylene 2.48
    p-xylene 3.24
    chlorobenzene 4.93
    dimethyl carbonate 47.34
    n-octane 0.11
    formamide 68.11
    cyclopentanone 103.99
    2-pentanone 17.41
    anisole 11.8
    cyclopentyl methyl ether 21.82
    gamma-butyrolactone 173.39
    1-methoxy-2-propanol 44.42
    pyridine 31.41
    3-pentanone 17.28
    furfural 72.1
    n-dodecane 0.14
    diethylene glycol 57.16
    diisopropyl ether 1.71
    tert-amyl alcohol 8.09
    acetylacetone 41.11
    n-hexadecane 0.17
    acetophenone 20.72
    methyl propionate 37.25
    isopentyl acetate 14.66
    trichloroethylene 42.02
    n-nonanol 2.62
    cyclohexanol 6.77
    benzyl alcohol 12.55
    2-ethylhexanol 3.1
    isooctanol 3.13
    dipropyl ether 5.82
    1,2-dichlorobenzene 6.87
    ethyl lactate 17.9
    propylene carbonate 48.04
    n-methylformamide 53.86
    2-pentanol 2.88
    n-pentane 0.11
    1-propoxy-2-propanol 25.01
    1-methoxy-2-propyl acetate 33.72
    2-(2-methoxypropoxy) propanol 26.46
    mesitylene 1.62
    ε-caprolactone 49.57
    p-cymene 2.18
    epichlorohydrin 121.61
    1,1,1-trichloroethane 12.35
    2-aminoethanol 12.45
    morpholine-4-carbaldehyde 152.33
    sulfolane 276.11
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 38.15
    n-hexyl acetate 8.76
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 26.31
    sec-butyl acetate 10.83
    tert-butyl acetate 18.89
    decalin 0.32
    glycerin 37.46
    diglyme 50.77
    acrylic acid 35.42
    isopropyl myristate 5.11
    n-butyric acid 16.58
    acetyl acetate 18.15
    di(2-ethylhexyl) phthalate 8.88
    ethyl propionate 18.59
    nitromethane 148.52
    1,2-diethoxyethane 13.3
    benzonitrile 11.31
    trioctyl phosphate 6.37
    1-bromopropane 4.44
    gamma-valerolactone 142.08
    n-decanol 2.16
    triethyl phosphate 13.3
    4-methyl-2-pentanol 2.6
    propionitrile 11.19
    vinylene carbonate 39.83
    1,1,2-trichlorotrifluoroethane 88.11
    DMS 25.63
    cumene 1.71
    2-octanol 1.97
    2-hexanone 16.33
    octyl acetate 6.82
    limonene 2.92
    1,2-dimethoxyethane 55.63
    ethyl orthosilicate 11.05
    tributyl phosphate 7.77
    diacetone alcohol 34.82
    N,N-dimethylaniline 9.57
    acrylonitrile 22.46
    aniline 9.67
    1,3-propanediol 16.41
    bromobenzene 4.34
    dibromomethane 8.9
    1,1,2,2-tetrachloroethane 30.61
    2-methyl-cyclohexyl acetate 14.88
    tetrabutyl urea 13.68
    diisobutyl methanol 2.78
    2-phenylethanol 13.16
    styrene 2.57
    dioctyl adipate 11.07
    dimethyl sulfate 119.91
    ethyl butyrate 13.62
    methyl lactate 39.23
    butyl lactate 12.09
    diethyl carbonate 12.44
    propanediol butyl ether 13.76
    triethyl orthoformate 13.61
    p-tert-butyltoluene 2.17
    methyl 4-tert-butylbenzoate 19.56
    morpholine 61.37
    tert-butylamine 2.57
    n-dodecanol 1.74
    dimethoxymethane 79.13
    ethylene carbonate 33.11
    cyrene 53.41
    2-ethoxyethyl acetate 19.18
    2-ethylhexyl acetate 11.38
    1,2,4-trichlorobenzene 12.43
    4-methylpyridine 22.86
    dibutyl ether 3.07
    2,6-dimethyl-4-heptanol 2.78
    DEF 39.69
    dimethyl isosorbide 62.57
    tetrachloroethylene 17.2
    eugenol 21.86
    triacetin 21.76
    span 80 17.03
    1,4-butanediol 7.17
    1,1-dichloroethane 9.31
    2-methyl-1-pentanol 4.75
    methyl formate 47.52
    2-methyl-1-butanol 4.88
    n-decane 0.2
    butyronitrile 7.06
    3,7-dimethyl-1-octanol 2.92
    1-chlorooctane 1.0
    1-chlorotetradecane 0.64
    n-nonane 0.15
    undecane 0.17
    tert-butylcyclohexane 0.25
    cyclooctane 0.11
    cyclopentanol 14.56
    tetrahydropyran 16.56
    tert-amyl methyl ether 6.75
    2,5,8-trioxanonane 43.15
    1-hexene 0.85
    2-isopropoxyethanol 20.13
    2,2,2-trifluoroethanol 32.95
    methyl butyrate 21.96

    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