Palmidin B

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  • Identifiers

    CAS number
    17062-56-5

    Molecular formula
    C30H22O7

    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=CC=C3O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 47.62%
    Odorless 47.48%
    Sweet 32.04%
    Spicy 28.19%
    Fruity 27.91%
    Balsamic 27.4%
    Woody 25.07%
    Dry 24.27%
    Bitter 23.95%
    Powdery 23.39%

     

    Flavor
    Bitter 97.16%
    Odorless 24.47%
    Bland 20.41%
    Sweet-like 19.8%
    Cedarleaf 19.53%
    Nitrile 18.93%
    Lovage 18.82%
    Very strong 18.61%
    Indole 18.45%
    Parsley 18.26%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    8.24 (weak base)

    Molecular weight
    494.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1741°C

    Flash point

    • 343.82 ˚C est.

  • Synonyms

    • Palmidin B
    • L6LD6C67BV
    • 17062-56-5
    • (9,9'-Bianthracene)-10,10'(9H,9'H)-dione, 4,4',5,5'-tetrahydroxy-2-(hydroxymethyl)-2'-methyl-
    • DTXSID201318529
    • 10-[4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-3-methyl-10H-anthracen-9-one
    • 10-(4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl)-1,8-dihydroxy-3-methyl-10H-anthracen-9-one
    • RefChem:1094275
    • DTXCID101748337
    • UNII-L6LD6C67BV
    • SCHEMBL31596744
    • Aloeemodin-chrysophanol bianthrone
    • CHEBI:175809
    • Q27282777
    • 4,4',5,5'-Tetrahydroxy-2-(hydroxymethyl)-2'-methyl-[9,9'-bianthracene]-10,10'(9H,9'H)-dione, 9CI
    • 4,4',5,5'-Tetrahydroxy-2-(hydroxymethyl)-2'-methyl[9,9'-bianthracene]-10,10'(9H,9'H)-dione
    • 17062-56-5

  • Applications

    Palmidin B, CAS 17062-56-5, is viewed as an intermediate in organic synthesis and can serve as a building block for more complex compounds; it is also evaluated for fragrance applications as an odorant or fixative in perfumery; in cosmetics and personal care formulations, Palmidin B may be used as a fragrance ingredient or as a precursor for derived cosmetic compounds; in coatings and inks and certain industrial applications, it may function as a specialty additive or processing aid, subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.32
    methanol 2.14
    isopropanol 0.77
    water 0.0
    ethyl acetate 1.68
    n-propanol 1.62
    acetone 2.09
    n-butanol 1.05
    acetonitrile 0.62
    DMF 23.58
    toluene 0.42
    isobutanol 0.75
    1,4-dioxane 4.54
    methyl acetate 1.98
    THF 12.72
    2-butanone 3.93
    n-pentanol 0.73
    sec-butanol 0.83
    n-hexane 0.01
    ethylene glycol 1.81
    NMP 22.6
    cyclohexane 0.01
    DMSO 19.03
    n-butyl acetate 1.54
    n-octanol 0.5
    chloroform 0.94
    n-propyl acetate 1.22
    acetic acid 4.86
    dichloromethane 0.71
    cyclohexanone 5.37
    propylene glycol 3.02
    isopropyl acetate 1.17
    DMAc 26.71
    2-ethoxyethanol 5.16
    isopentanol 0.64
    n-heptane 0.02
    ethyl formate 1.57
    1,2-dichloroethane 0.77
    n-hexanol 0.66
    2-methoxyethanol 13.82
    isobutyl acetate 0.62
    tetrachloromethane 0.09
    n-pentyl acetate 1.61
    transcutol 9.02
    n-heptanol 0.72
    ethylbenzene 0.19
    MIBK 1.11
    2-propoxyethanol 8.56
    tert-butanol 0.63
    MTBE 0.51
    2-butoxyethanol 4.83
    propionic acid 3.0
    o-xylene 0.25
    formic acid 4.22
    diethyl ether 0.78
    m-xylene 0.24
    p-xylene 0.19
    chlorobenzene 0.35
    dimethyl carbonate 3.89
    n-octane 0.01
    formamide 5.74
    cyclopentanone 10.09
    2-pentanone 2.52
    anisole 0.9
    cyclopentyl methyl ether 1.84
    gamma-butyrolactone 11.02
    1-methoxy-2-propanol 12.06
    pyridine 4.21
    3-pentanone 1.99
    furfural 7.9
    n-dodecane 0.01
    diethylene glycol 8.18
    diisopropyl ether 0.13
    tert-amyl alcohol 0.75
    acetylacetone 3.69
    n-hexadecane 0.02
    acetophenone 1.6
    methyl propionate 3.73
    isopentyl acetate 1.24
    trichloroethylene 2.25
    n-nonanol 0.61
    cyclohexanol 0.74
    benzyl alcohol 1.41
    2-ethylhexanol 0.43
    isooctanol 0.54
    dipropyl ether 0.87
    1,2-dichlorobenzene 0.33
    ethyl lactate 2.47
    propylene carbonate 2.95
    n-methylformamide 8.43
    2-pentanol 0.5
    n-pentane 0.01
    1-propoxy-2-propanol 6.23
    1-methoxy-2-propyl acetate 5.0
    2-(2-methoxypropoxy) propanol 4.36
    mesitylene 0.11
    ε-caprolactone 5.19
    p-cymene 0.17
    epichlorohydrin 8.36
    1,1,1-trichloroethane 0.29
    2-aminoethanol 3.12
    morpholine-4-carbaldehyde 20.22
    sulfolane 21.73
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.7
    n-hexyl acetate 1.48
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.26
    sec-butyl acetate 0.76
    tert-butyl acetate 1.26
    decalin 0.02
    glycerin 10.85
    diglyme 9.05
    acrylic acid 4.41
    isopropyl myristate 0.53
    n-butyric acid 3.01
    acetyl acetate 1.16
    di(2-ethylhexyl) phthalate 0.95
    ethyl propionate 1.38
    nitromethane 8.86
    1,2-diethoxyethane 1.95
    benzonitrile 0.9
    trioctyl phosphate 0.73
    1-bromopropane 0.31
    gamma-valerolactone 23.07
    n-decanol 0.39
    triethyl phosphate 0.95
    4-methyl-2-pentanol 0.28
    propionitrile 1.12
    vinylene carbonate 3.45
    1,1,2-trichlorotrifluoroethane 15.74
    DMS 2.45
    cumene 0.12
    2-octanol 0.41
    2-hexanone 1.52
    octyl acetate 0.86
    limonene 0.25
    1,2-dimethoxyethane 6.91
    ethyl orthosilicate 0.8
    tributyl phosphate 0.73
    diacetone alcohol 4.24
    N,N-dimethylaniline 0.72
    acrylonitrile 2.37
    aniline 1.17
    1,3-propanediol 3.95
    bromobenzene 0.24
    dibromomethane 0.35
    1,1,2,2-tetrachloroethane 2.1
    2-methyl-cyclohexyl acetate 1.09
    tetrabutyl urea 1.33
    diisobutyl methanol 0.28
    2-phenylethanol 1.44
    styrene 0.2
    dioctyl adipate 1.17
    dimethyl sulfate 8.15
    ethyl butyrate 1.28
    methyl lactate 8.07
    butyl lactate 2.9
    diethyl carbonate 0.83
    propanediol butyl ether 4.15
    triethyl orthoformate 1.37
    p-tert-butyltoluene 0.17
    methyl 4-tert-butylbenzoate 2.56
    morpholine 7.96
    tert-butylamine 0.17
    n-dodecanol 0.25
    dimethoxymethane 10.39
    ethylene carbonate 2.27
    cyrene 6.13
    2-ethoxyethyl acetate 3.51
    2-ethylhexyl acetate 0.95
    1,2,4-trichlorobenzene 0.67
    4-methylpyridine 2.36
    dibutyl ether 0.52
    2,6-dimethyl-4-heptanol 0.28
    DEF 4.84
    dimethyl isosorbide 6.7
    tetrachloroethylene 1.22
    eugenol 2.9
    triacetin 3.0
    span 80 3.79
    1,4-butanediol 1.13
    1,1-dichloroethane 0.36
    2-methyl-1-pentanol 0.56
    methyl formate 5.15
    2-methyl-1-butanol 0.78
    n-decane 0.03
    butyronitrile 0.81
    3,7-dimethyl-1-octanol 0.44
    1-chlorooctane 0.15
    1-chlorotetradecane 0.06
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 1.42
    tetrahydropyran 1.95
    tert-amyl methyl ether 0.67
    2,5,8-trioxanonane 6.08
    1-hexene 0.09
    2-isopropoxyethanol 2.59
    2,2,2-trifluoroethanol 1.72
    methyl butyrate 1.78

    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