Palmidin A

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  • Identifiers

    CAS number
    17062-55-4

    Molecular formula
    C30H22O8

    SMILES
    CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)CO)C=C(C=C3O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 53.75%
    Phenolic 47.01%
    Spicy 25.72%
    Balsamic 24.35%
    Sweet 23.95%
    Woody 23.71%
    Fruity 23.38%
    Dry 23.23%
    Bitter 22.04%
    Burnt 21.91%

     

    Flavor
    Bitter 96.96%
    Odorless 26.23%
    Bland 21.77%
    Sweet-like 20.17%
    Cedarleaf 19.7%
    Nitrile 19.01%
    Lovage 18.77%
    Very strong 18.65%
    Indole 18.51%
    Parsley 18.4%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    8.46 (weak base)

    Molecular weight
    510.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2355°C

    Flash point

    • 355.42 ˚C est.

  • Synonyms

    • Palmidin A
    • RF802M0XYX
    • 17062-55-4
    • (9,9'-Bianthracene)-10,10'(9H,9'H)-dione, 2,4,4',5,5'-pentahydroxy-2'-(hydroxymethyl)-7-methyl-
    • DTXSID101318495
    • RefChem:1094274
    • DTXCID501748303
    • UNII-RF802M0XYX
    • Aloeemodin-emodin bianthrone
    • SCHEMBL29659658
    • CHEBI:177506
    • 10-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-1,3,8-trihydroxy-6-methyl-10H-anthracen-9-one
    • Q27288091
    • 2,4,4',5,5'-Pentahydroxy-2'-(hydroxymethyl)-7-methyl[9,9'-bianthracene]-10,10'(9H,9'H)-dione
    • 17062-55-4

  • Applications

    Palmidin A is primarily used as an intermediate and building block in organic synthesis, supporting the preparation of more complex molecules in pharmaceutical and agrochemical research. It has been explored as a potential fragrance and aroma component in perfumery and flavor studies, and may find use in cosmetics as a fragrance ingredient or additive. In materials science, Palmidin A has been investigated as a small-molecule modifier or precursor for polymers and coatings, and as a functional precursor for cross-linking. It is also considered as a scaffold for exploratory pharmaceutical and agricultural chemistry research. Applications are typically at the research or exploratory stage and are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.93
    methanol 1.83
    isopropanol 0.44
    water 0.0
    ethyl acetate 0.99
    n-propanol 1.15
    acetone 0.88
    n-butanol 0.66
    acetonitrile 0.35
    DMF 21.07
    toluene 0.15
    isobutanol 0.46
    1,4-dioxane 2.61
    methyl acetate 1.21
    THF 6.95
    2-butanone 2.23
    n-pentanol 0.43
    sec-butanol 0.53
    n-hexane 0.01
    ethylene glycol 1.82
    NMP 21.28
    cyclohexane 0.01
    DMSO 16.93
    n-butyl acetate 0.9
    n-octanol 0.29
    chloroform 0.31
    n-propyl acetate 0.72
    acetic acid 3.56
    dichloromethane 0.24
    cyclohexanone 2.6
    propylene glycol 3.31
    isopropyl acetate 0.59
    DMAc 21.41
    2-ethoxyethanol 5.06
    isopentanol 0.34
    n-heptane 0.01
    ethyl formate 1.1
    1,2-dichloroethane 0.28
    n-hexanol 0.33
    2-methoxyethanol 14.43
    isobutyl acetate 0.32
    tetrachloromethane 0.03
    n-pentyl acetate 0.88
    transcutol 8.03
    n-heptanol 0.41
    ethylbenzene 0.08
    MIBK 0.51
    2-propoxyethanol 7.6
    tert-butanol 0.3
    MTBE 0.23
    2-butoxyethanol 3.89
    propionic acid 2.27
    o-xylene 0.1
    formic acid 4.04
    diethyl ether 0.4
    m-xylene 0.09
    p-xylene 0.07
    chlorobenzene 0.11
    dimethyl carbonate 2.45
    n-octane 0.01
    formamide 5.2
    cyclopentanone 5.9
    2-pentanone 1.3
    anisole 0.45
    cyclopentyl methyl ether 0.94
    gamma-butyrolactone 7.99
    1-methoxy-2-propanol 11.79
    pyridine 2.36
    3-pentanone 1.05
    furfural 6.1
    n-dodecane 0.01
    diethylene glycol 7.71
    diisopropyl ether 0.05
    tert-amyl alcohol 0.42
    acetylacetone 1.94
    n-hexadecane 0.01
    acetophenone 0.83
    methyl propionate 2.45
    isopentyl acetate 0.65
    trichloroethylene 0.86
    n-nonanol 0.36
    cyclohexanol 0.35
    benzyl alcohol 0.77
    2-ethylhexanol 0.21
    isooctanol 0.29
    dipropyl ether 0.49
    1,2-dichlorobenzene 0.12
    ethyl lactate 1.92
    propylene carbonate 1.89
    n-methylformamide 7.73
    2-pentanol 0.27
    n-pentane 0.01
    1-propoxy-2-propanol 5.26
    1-methoxy-2-propyl acetate 3.52
    2-(2-methoxypropoxy) propanol 3.57
    mesitylene 0.04
    ε-caprolactone 3.33
    p-cymene 0.07
    epichlorohydrin 5.39
    1,1,1-trichloroethane 0.09
    2-aminoethanol 3.14
    morpholine-4-carbaldehyde 18.34
    sulfolane 17.85
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.43
    n-hexyl acetate 0.84
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 4.28
    sec-butyl acetate 0.4
    tert-butyl acetate 0.61
    decalin 0.01
    glycerin 12.4
    diglyme 7.46
    acrylic acid 3.59
    isopropyl myristate 0.27
    n-butyric acid 1.96
    acetyl acetate 0.57
    di(2-ethylhexyl) phthalate 0.55
    ethyl propionate 0.86
    nitromethane 6.82
    1,2-diethoxyethane 1.27
    benzonitrile 0.43
    trioctyl phosphate 0.41
    1-bromopropane 0.13
    gamma-valerolactone 18.69
    n-decanol 0.22
    triethyl phosphate 0.56
    4-methyl-2-pentanol 0.13
    propionitrile 0.64
    vinylene carbonate 2.24
    1,1,2-trichlorotrifluoroethane 13.28
    DMS 1.46
    cumene 0.05
    2-octanol 0.22
    2-hexanone 0.77
    octyl acetate 0.47
    limonene 0.1
    1,2-dimethoxyethane 5.42
    ethyl orthosilicate 0.47
    tributyl phosphate 0.42
    diacetone alcohol 2.72
    N,N-dimethylaniline 0.36
    acrylonitrile 1.54
    aniline 0.53
    1,3-propanediol 3.33
    bromobenzene 0.07
    dibromomethane 0.12
    1,1,2,2-tetrachloroethane 0.83
    2-methyl-cyclohexyl acetate 0.6
    tetrabutyl urea 0.8
    diisobutyl methanol 0.13
    2-phenylethanol 0.73
    styrene 0.08
    dioctyl adipate 0.67
    dimethyl sulfate 5.68
    ethyl butyrate 0.8
    methyl lactate 7.14
    butyl lactate 2.1
    diethyl carbonate 0.48
    propanediol butyl ether 3.78
    triethyl orthoformate 0.88
    p-tert-butyltoluene 0.07
    methyl 4-tert-butylbenzoate 1.54
    morpholine 5.47
    tert-butylamine 0.07
    n-dodecanol 0.13
    dimethoxymethane 7.81
    ethylene carbonate 1.35
    cyrene 5.32
    2-ethoxyethyl acetate 2.25
    2-ethylhexyl acetate 0.5
    1,2,4-trichlorobenzene 0.26
    4-methylpyridine 1.17
    dibutyl ether 0.27
    2,6-dimethyl-4-heptanol 0.13
    DEF 3.19
    dimethyl isosorbide 5.3
    tetrachloroethylene 0.47
    eugenol 1.96
    triacetin 2.01
    span 80 2.89
    1,4-butanediol 0.92
    1,1-dichloroethane 0.11
    2-methyl-1-pentanol 0.29
    methyl formate 4.26
    2-methyl-1-butanol 0.47
    n-decane 0.01
    butyronitrile 0.42
    3,7-dimethyl-1-octanol 0.23
    1-chlorooctane 0.07
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.75
    tetrahydropyran 0.92
    tert-amyl methyl ether 0.35
    2,5,8-trioxanonane 4.71
    1-hexene 0.04
    2-isopropoxyethanol 2.12
    2,2,2-trifluoroethanol 1.23
    methyl butyrate 1.13

    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