Stictic Acid

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  • Identifiers

    CAS number
    549-06-4

    Molecular formula
    C19H14O9

    SMILES
    CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3C)O)C(=O)OC4O)C=O)OC

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Odorless 47.05%
    Phenolic 41.46%
    Sweet 38.93%
    Spicy 32.86%
    Vanilla 24.28%
    Burnt 23.37%
    Woody 22.26%
    Powdery 21.28%
    Creamy 20.53%
    Balsamic 20.31%

     

    Flavor
    Bitter 88.32%
    Odorless 25.91%
    Bland 24.98%
    Parsley 20.43%
    Cedarleaf 20.32%
    Sweet-like 20.29%
    Lovage 20.06%
    Ripe apricot 19.19%
    Red fruit 19.11%
    Seedy 18.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.25 (neutral)

    Molecular weight
    386.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1510°C

    Flash point

    • 246.37 ˚C est.

  • Synonyms

    • STICTIC ACID
    • 549-06-4
    • NSC-87511
    • NZR6AX77LP
    • 1,3-Dihydro-1,4-dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-7H-isobenzofuro(4,5-b)(1,4)benzodioxepin-11-carboxaldehyde
    • 13,17-Dihydroxy-5-methoxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde
    • DTXSID20972053
    • 1,3-Dihydro-1,4-dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-7H-isobenzofuro[4,5-b][1,4]benzodioxepin-11-carboxaldehyde
    • 7H-Isobenzofuro(4,5-b)(1,4)benzodioxepin-11-carboxaldehyde, 1,3-dihydro-1,4-dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-
    • 7H-Isobenzofuro[4,5-b][1,4]benzodioxepin-11-carboxaldehyde, 1,3-dihydro-1,4-dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-
    • 13,17-dihydroxy-5-methoxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo(9.7.0.03,8.014,18)octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde
    • RefChem:185743
    • DTXCID901399540
    • 633-383-3
    • NSC87511
    • CHEMBL173530
    • 1,4-Dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,3-dihydro-7H-2,6,12-trioxabenzo[5,6]cyclohepta[1,2-E]indene-11-carbaldehyde
    • SCOPULARIC ACID
    • C19H14O9
    • NSC 87511
    • STICTICACID
    • Spectrum_000600
    • Spectrum2_000307
    • Spectrum3_001185
    • Spectrum4_001446
    • Spectrum5_000031
    • UNII-NZR6AX77LP
    • Stictic acid (StA), 1
    • BSPBio_002829
    • KBioGR_001931
    • KBioSS_001080
    • SPECTRUM300006
    • 56614-93-8
    • cid_73677
    • MLS001049107
    • REGID_for_CID_73677
    • SPBio_000274
    • orb1694413
    • SCHEMBL13495711
    • SCHEMBL29394416
    • CHEBI:93839
    • KBio2_001080
    • KBio2_003648
    • KBio2_006216
    • KBio3_002329
    • SKCUFZLDTAYNBZ-UHFFFAOYSA-N
    • GLXC-22180
    • HMS2271H11
    • BDBM50056922
    • CCG-38584
    • MFCD00053529
    • STL564823
    • AKOS027326813
    • EBC-617122
    • SDCCGMLS-0066543.P001
    • NCGC00095566-01
    • NCGC00095566-02
    • NCGC00095566-03
    • NCGC00095566-04
    • 7H-Isobenzofuro[4,5-b][1,4]benzodioxepin-11-carboxaldehyde,1,3-dihydro-1,4-dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-
    • DA-78049
    • FS138501
    • NCI60_041935
    • SMR000386939
    • TS-08833
    • HY-126779
    • CS-0107316
    • NS00134218
    • dihydroxy-methoxy-dimethyl-dioxo-[?]carbaldehyde
    • SR-01000758942
    • Q3604558
    • SR-01000758942-2
    • BRD-A29578214-001-02-7
    • BRD-A29578214-001-08-4
    • 1,4-Dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,3-dihydro-7H-2,6,12-trioxabenzo[5,6]cyclohepta[1,2-E]indene-11-carbaldehyde #
    • 1,4-Dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,3-dihydro-7H-benzo[e]furo[3'',4'':3,4]benzo[b][1,4]dioxepine-11-carbaldehyde
    • 1,4-dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-3,7-dihydro-1H-benzo[6,7][1,4]dioxepino[2,3-e]isobenzofuran-11-carbaldehyde
    • 13,17-dihydroxy-5-methoxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0^{3,8}.0^{14,18}]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde
    • Isophthalaldehydic acid,.alpha.2,4,6-tetrahydroxy-2,5-xylyl)oxy]-4-methoxy-6-methyl-, .gamma.-lactone, .epsilon.-lactone
    • 549-06-4

  • Applications

    Stictic Acid (CAS 549-06-4) is a naturally occurring depsidone primarily encountered in natural product chemistry and analytical contexts. In industry-relevant applications, it is commonly used as a reference compound and building block for the isolation, characterization, and synthesis of related polyphenolic structures; it serves as an analytical standard for LC-MS and NMR methods in natural product laboratories. It has potential as a natural pigment/colorant for coatings and inks, reflecting its chromophoric properties. It is also investigated as a lead scaffold in pharmaceutical and agrochemical research, where derivatives of Stictic Acid are evaluated for bioactivity in early screening programs. In addition, it is sometimes explored in cosmetic/personal care formulation research as a natural polyphenol component, though any use depends on regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.74
    methanol 1.03
    isopropanol 0.76
    water 0.01
    ethyl acetate 6.28
    n-propanol 0.92
    acetone 9.82
    n-butanol 0.92
    acetonitrile 4.41
    DMF 34.03
    toluene 0.66
    isobutanol 0.75
    1,4-dioxane 11.11
    methyl acetate 8.54
    THF 28.98
    2-butanone 9.68
    n-pentanol 0.89
    sec-butanol 0.85
    n-hexane 0.05
    ethylene glycol 1.09
    NMP 67.41
    cyclohexane 0.08
    DMSO 87.67
    n-butyl acetate 6.77
    n-octanol 1.01
    chloroform 6.27
    n-propyl acetate 5.87
    acetic acid 9.34
    dichloromethane 6.17
    cyclohexanone 18.0
    propylene glycol 0.88
    isopropyl acetate 4.45
    DMAc 54.81
    2-ethoxyethanol 6.1
    isopentanol 1.15
    n-heptane 0.05
    ethyl formate 4.89
    1,2-dichloroethane 5.55
    n-hexanol 1.07
    2-methoxyethanol 11.67
    isobutyl acetate 3.67
    tetrachloromethane 0.8
    n-pentyl acetate 4.25
    transcutol 9.23
    n-heptanol 1.2
    ethylbenzene 0.6
    MIBK 4.24
    2-propoxyethanol 12.13
    tert-butanol 1.64
    MTBE 1.19
    2-butoxyethanol 6.9
    propionic acid 4.35
    o-xylene 0.74
    formic acid 6.17
    diethyl ether 1.52
    m-xylene 0.58
    p-xylene 0.98
    chlorobenzene 1.6
    dimethyl carbonate 10.99
    n-octane 0.04
    formamide 11.02
    cyclopentanone 30.82
    2-pentanone 6.17
    anisole 2.67
    cyclopentyl methyl ether 4.31
    gamma-butyrolactone 37.66
    1-methoxy-2-propanol 7.88
    pyridine 8.46
    3-pentanone 6.13
    furfural 22.57
    n-dodecane 0.07
    diethylene glycol 13.7
    diisopropyl ether 0.5
    tert-amyl alcohol 1.61
    acetylacetone 14.93
    n-hexadecane 0.09
    acetophenone 6.5
    methyl propionate 8.53
    isopentyl acetate 6.38
    trichloroethylene 13.73
    n-nonanol 1.25
    cyclohexanol 1.62
    benzyl alcohol 2.7
    2-ethylhexanol 1.25
    isooctanol 1.23
    dipropyl ether 1.89
    1,2-dichlorobenzene 2.51
    ethyl lactate 5.49
    propylene carbonate 14.51
    n-methylformamide 11.15
    2-pentanol 0.63
    n-pentane 0.03
    1-propoxy-2-propanol 7.54
    1-methoxy-2-propyl acetate 12.06
    2-(2-methoxypropoxy) propanol 9.41
    mesitylene 0.44
    ε-caprolactone 16.01
    p-cymene 0.84
    epichlorohydrin 31.11
    1,1,1-trichloroethane 4.48
    2-aminoethanol 1.39
    morpholine-4-carbaldehyde 37.65
    sulfolane 81.96
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 8.43
    n-hexyl acetate 4.34
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 8.63
    sec-butyl acetate 3.68
    tert-butyl acetate 5.66
    decalin 0.11
    glycerin 5.14
    diglyme 16.58
    acrylic acid 6.99
    isopropyl myristate 2.59
    n-butyric acid 4.65
    acetyl acetate 6.58
    di(2-ethylhexyl) phthalate 4.06
    ethyl propionate 6.19
    nitromethane 34.69
    1,2-diethoxyethane 4.17
    benzonitrile 4.3
    trioctyl phosphate 3.3
    1-bromopropane 1.4
    gamma-valerolactone 41.48
    n-decanol 1.03
    triethyl phosphate 5.94
    4-methyl-2-pentanol 0.67
    propionitrile 3.9
    vinylene carbonate 12.54
    1,1,2-trichlorotrifluoroethane 27.98
    DMS 8.52
    cumene 0.5
    2-octanol 0.77
    2-hexanone 6.31
    octyl acetate 3.36
    limonene 1.1
    1,2-dimethoxyethane 15.89
    ethyl orthosilicate 4.49
    tributyl phosphate 3.86
    diacetone alcohol 10.0
    N,N-dimethylaniline 2.27
    acrylonitrile 7.65
    aniline 1.94
    1,3-propanediol 2.89
    bromobenzene 1.41
    dibromomethane 3.08
    1,1,2,2-tetrachloroethane 10.91
    2-methyl-cyclohexyl acetate 6.36
    tetrabutyl urea 6.94
    diisobutyl methanol 0.98
    2-phenylethanol 4.11
    styrene 0.63
    dioctyl adipate 5.02
    dimethyl sulfate 30.87
    ethyl butyrate 5.86
    methyl lactate 8.98
    butyl lactate 4.71
    diethyl carbonate 5.45
    propanediol butyl ether 4.14
    triethyl orthoformate 5.26
    p-tert-butyltoluene 0.74
    methyl 4-tert-butylbenzoate 7.06
    morpholine 12.31
    tert-butylamine 0.48
    n-dodecanol 0.83
    dimethoxymethane 14.99
    ethylene carbonate 11.04
    cyrene 17.2
    2-ethoxyethyl acetate 7.32
    2-ethylhexyl acetate 5.14
    1,2,4-trichlorobenzene 4.07
    4-methylpyridine 6.34
    dibutyl ether 1.41
    2,6-dimethyl-4-heptanol 0.98
    DEF 11.46
    dimethyl isosorbide 21.46
    tetrachloroethylene 6.44
    eugenol 7.86
    triacetin 7.84
    span 80 6.51
    1,4-butanediol 1.26
    1,1-dichloroethane 2.96
    2-methyl-1-pentanol 1.18
    methyl formate 10.71
    2-methyl-1-butanol 1.06
    n-decane 0.09
    butyronitrile 2.82
    3,7-dimethyl-1-octanol 1.19
    1-chlorooctane 0.55
    1-chlorotetradecane 0.36
    n-nonane 0.07
    undecane 0.08
    tert-butylcyclohexane 0.07
    cyclooctane 0.04
    cyclopentanol 2.61
    tetrahydropyran 4.45
    tert-amyl methyl ether 1.6
    2,5,8-trioxanonane 14.67
    1-hexene 0.26
    2-isopropoxyethanol 4.39
    2,2,2-trifluoroethanol 9.17
    methyl butyrate 7.72

    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