Robustic Acid

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  • Identifiers

    CAS number
    5307-59-5

    Molecular formula
    C22H20O6

    SMILES
    CC1(C=CC2=C(O1)C=C3C(=C2OC)C(=C(C(=O)O3)C4=CC=C(C=C4)OC)O)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 49.76%
    Phenolic 45.75%
    Spicy 40.72%
    Powdery 32.09%
    Woody 30.89%
    Vanilla 28.84%
    Herbal 26.9%
    Floral 26.73%
    Animal 26.57%
    Balsamic 25.62%

     

    Flavor
    Bitter 91.1%
    Parsley 20.71%
    Cedarleaf 19.92%
    Lovage 19.45%
    Ripe apricot 19.22%
    Red fruit 18.98%
    Eugenol 18.3%
    Bland 18.07%
    Ethyl benzoate 18.06%
    Sweet-like 18.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    7.71 (neutral)

    Molecular weight
    380.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1180°C

    Flash point

    • 230.49 ˚C est.

  • Synonyms

    • Robustic acid
    • 5307-59-5
    • DTXSID30201149
    • 6-hydroxy-5-methoxy-7-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-8-one
    • 6-hydroxy-5-methoxy-7-(4-methoxyphenyl)-2,2-dimethylpyrano(3,2-g)chromen-8-one
    • RefChem:179738
    • DTXCID80123640
    • 2H,8H-Benzo[1,2-b:5,4-b']dipyran-2-one, 4-hydroxy-5-methoxy-3-(4-methoxyphenyl)-8,8-dimethyl-
    • 2H,8H-Benzo(1,2-b:5,4-b')dipyran-2-one, 4-hydroxy-5-methoxy-3-(4-methoxyphenyl)-8,8-dimethyl-
    • Spectrum_000556
    • SpecPlus_000613
    • Spectrum2_001165
    • Spectrum3_001802
    • Spectrum4_001592
    • Spectrum5_000304
    • BSPBio_003383
    • KBioGR_002204
    • KBioSS_001036
    • SPECTRUM240673
    • DivK1c_006709
    • SCHEMBL572212
    • SPBio_001149
    • CHEMBL400777
    • orb1695425
    • SCHEMBL15941305
    • CHEBI:92953
    • KBio1_001653
    • KBio2_001036
    • KBio2_003604
    • KBio2_006172
    • KBio3_002886
    • MBZKDBQDALOSRP-UHFFFAOYSA-N
    • CCG-39045
    • LMPK12160025
    • AKOS040753805
    • NCGC00095552-01
    • NCGC00095552-02
    • 2H,8H-Benzo[1,2-b:5,4-b']dipyran-2-one, 4-hydroxy-5-methoxy-3-(p-methoxyphenyl)-8,8-dimethyl-
    • AO-166/21204010
    • SR-05000002632
    • SR-05000002632-1
    • BRD-K54411430-001-02-5
    • Q27164688
    • 4-Hydroxy-5-methoxy-3-(4-methoxyphenyl)-8,8-dimethyl-2H,8H-pyrano[3,2-g]chromen-2-one #
    • 6-hydroxy-5-methoxy-7-(4-methoxyphenyl)-2,2-dimethyl-8-pyrano[3,2-g][1]benzopyranone
    • 4-Hydroxy-5-methoxy-3-(4-methoxyphenyl)-8,8-dimethyl-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one
    • 5307-59-5

  • Applications

    Robustic acid (CAS 5307-59-5) is used primarily as an intermediate in organic synthesis and as a chelating agent and processing aid in industrial formulations. In the field of polymers and coatings, it may act as a stabilizer or compatibility additive during polymer processing and film formation. It can serve as an additive in coating and ink systems to influence rheology and metal chelation. In cleaning formulations, it may function as a chelating agent or supporting additive to control metal ions. In cosmetics and personal care, it may be used as an acidulant or pH adjuster, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.01
    methanol 3.23
    isopropanol 2.96
    water 0.0
    ethyl acetate 20.21
    n-propanol 4.08
    acetone 29.75
    n-butanol 3.61
    acetonitrile 12.16
    DMF 72.4
    toluene 5.83
    isobutanol 3.82
    1,4-dioxane 28.53
    methyl acetate 25.8
    THF 82.39
    2-butanone 27.18
    n-pentanol 2.74
    sec-butanol 3.16
    n-hexane 0.18
    ethylene glycol 2.53
    NMP 113.83
    cyclohexane 0.49
    DMSO 102.77
    n-butyl acetate 13.69
    n-octanol 1.77
    chloroform 82.72
    n-propyl acetate 12.25
    acetic acid 28.8
    dichloromethane 69.56
    cyclohexanone 44.89
    propylene glycol 2.95
    isopropyl acetate 13.94
    DMAc 134.52
    2-ethoxyethanol 12.53
    isopentanol 4.29
    n-heptane 0.2
    ethyl formate 12.1
    1,2-dichloroethane 40.87
    n-hexanol 2.89
    2-methoxyethanol 24.23
    isobutyl acetate 10.18
    tetrachloromethane 4.55
    n-pentyl acetate 8.86
    transcutol 40.35
    n-heptanol 2.26
    ethylbenzene 2.68
    MIBK 13.55
    2-propoxyethanol 24.34
    tert-butanol 5.1
    MTBE 5.86
    2-butoxyethanol 11.59
    propionic acid 13.62
    o-xylene 3.95
    formic acid 8.15
    diethyl ether 6.27
    m-xylene 3.83
    p-xylene 4.07
    chlorobenzene 12.85
    dimethyl carbonate 29.11
    n-octane 0.11
    formamide 13.63
    cyclopentanone 74.6
    2-pentanone 19.47
    anisole 10.06
    cyclopentyl methyl ether 20.04
    gamma-butyrolactone 84.89
    1-methoxy-2-propanol 18.4
    pyridine 29.2
    3-pentanone 19.18
    furfural 54.38
    n-dodecane 0.18
    diethylene glycol 21.83
    diisopropyl ether 2.2
    tert-amyl alcohol 4.64
    acetylacetone 35.72
    n-hexadecane 0.22
    acetophenone 15.87
    methyl propionate 28.05
    isopentyl acetate 14.93
    trichloroethylene 112.35
    n-nonanol 2.16
    cyclohexanol 6.38
    benzyl alcohol 9.35
    2-ethylhexanol 3.15
    isooctanol 2.48
    dipropyl ether 5.46
    1,2-dichlorobenzene 15.02
    ethyl lactate 11.24
    propylene carbonate 35.87
    n-methylformamide 23.52
    2-pentanol 2.37
    n-pentane 0.18
    1-propoxy-2-propanol 16.33
    1-methoxy-2-propyl acetate 29.07
    2-(2-methoxypropoxy) propanol 21.09
    mesitylene 2.22
    ε-caprolactone 37.1
    p-cymene 2.86
    epichlorohydrin 97.93
    1,1,1-trichloroethane 28.62
    2-aminoethanol 3.84
    morpholine-4-carbaldehyde 79.42
    sulfolane 126.01
    2,2,4-trimethylpentane 0.26
    2-methyltetrahydrofuran 28.65
    n-hexyl acetate 9.48
    isooctane 0.17
    2-(2-butoxyethoxy)ethanol 19.13
    sec-butyl acetate 9.75
    tert-butyl acetate 15.5
    decalin 0.44
    glycerin 10.94
    diglyme 41.62
    acrylic acid 18.01
    isopropyl myristate 5.67
    n-butyric acid 16.12
    acetyl acetate 21.41
    di(2-ethylhexyl) phthalate 8.81
    ethyl propionate 14.58
    nitromethane 79.25
    1,2-diethoxyethane 13.24
    benzonitrile 12.92
    trioctyl phosphate 5.46
    1-bromopropane 10.63
    gamma-valerolactone 91.45
    n-decanol 1.76
    triethyl phosphate 11.54
    4-methyl-2-pentanol 2.41
    propionitrile 11.01
    vinylene carbonate 37.22
    1,1,2-trichlorotrifluoroethane 79.63
    DMS 25.86
    cumene 2.23
    2-octanol 1.41
    2-hexanone 12.7
    octyl acetate 6.83
    limonene 3.74
    1,2-dimethoxyethane 28.59
    ethyl orthosilicate 9.46
    tributyl phosphate 7.6
    diacetone alcohol 21.52
    N,N-dimethylaniline 7.85
    acrylonitrile 19.33
    aniline 11.93
    1,3-propanediol 6.8
    bromobenzene 13.2
    dibromomethane 32.69
    1,1,2,2-tetrachloroethane 75.87
    2-methyl-cyclohexyl acetate 13.84
    tetrabutyl urea 11.79
    diisobutyl methanol 2.74
    2-phenylethanol 10.4
    styrene 3.4
    dioctyl adipate 11.84
    dimethyl sulfate 62.55
    ethyl butyrate 12.54
    methyl lactate 21.76
    butyl lactate 9.78
    diethyl carbonate 11.14
    propanediol butyl ether 7.78
    triethyl orthoformate 12.01
    p-tert-butyltoluene 2.54
    methyl 4-tert-butylbenzoate 17.48
    morpholine 34.43
    tert-butylamine 2.15
    n-dodecanol 1.48
    dimethoxymethane 40.88
    ethylene carbonate 30.01
    cyrene 26.33
    2-ethoxyethyl acetate 19.18
    2-ethylhexyl acetate 11.81
    1,2,4-trichlorobenzene 22.44
    4-methylpyridine 26.51
    dibutyl ether 3.78
    2,6-dimethyl-4-heptanol 2.74
    DEF 30.08
    dimethyl isosorbide 42.89
    tetrachloroethylene 39.71
    eugenol 15.64
    triacetin 21.19
    span 80 12.27
    1,4-butanediol 2.59
    1,1-dichloroethane 26.18
    2-methyl-1-pentanol 3.63
    methyl formate 23.7
    2-methyl-1-butanol 4.11
    n-decane 0.25
    butyronitrile 8.57
    3,7-dimethyl-1-octanol 2.94
    1-chlorooctane 1.57
    1-chlorotetradecane 0.9
    n-nonane 0.18
    undecane 0.21
    tert-butylcyclohexane 0.33
    cyclooctane 0.18
    cyclopentanol 9.35
    tetrahydropyran 18.51
    tert-amyl methyl ether 6.28
    2,5,8-trioxanonane 34.46
    1-hexene 0.99
    2-isopropoxyethanol 9.82
    2,2,2-trifluoroethanol 14.25
    methyl butyrate 16.83

    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