Palmidin C

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  • Identifiers

    CAS number
    17177-86-5

    Molecular formula
    C30H22O7

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 51.54%
    Odorless 46.75%
    Woody 30.03%
    Spicy 29.07%
    Dry 25.28%
    Fruity 25.24%
    Burnt 23.59%
    Medicinal 23.38%
    Animal 22.98%
    Balsamic 21.45%

     

    Flavor
    Bitter 96.93%
    Odorless 23.1%
    Bland 19.49%
    Cedarleaf 19.45%
    Sweet-like 19.13%
    Nitrile 18.76%
    Very strong 18.61%
    Indole 18.38%
    Lovage 18.37%
    Parsley 18.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    8.63 (weak base)

    Molecular weight
    494.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1706°C

    Flash point

    • 331.72 ˚C est.

  • Synonyms

    • Palmidin C
    • 17177-86-5
    • Chrysophanol emodin dianthrone
    • UNII-N3SAI83M4B
    • N3SAI83M4B
    • 10-(4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl)-1,3,8-trihydroxy-6-methyl-10H-anthracen-9-one
    • Emodin-chrysophanol bianthrone
    • (9,9'-Bianthracene)-10,10'(9H,9'H)-dione, 2,4,4',5,5'-pentahydroxy-2',7-dimethyl-
    • RefChem:169709
    • CHEBI:169358
    • DTXSID301318558
    • FP165644
    • Q27284523
    • 2,4,4',5,5'-Pentahydroxy-2',7-dimethyl[9,9'-bianthracene]-10,10'(9H,9'H)-dione
    • 17177-86-5

  • Applications

    Palmidin C (CAS 17177-86-5) is a chemical evaluated as a potential fragrance component or fragrance intermediate, with real-world applications across several industries. In fragrance and cosmetics, it may serve as an odorant or specialized additive; in industrial manufacturing, it is considered as an organic-synthesis intermediate; in polymers/plastics, it can act as a precursor or additive for polymer materials; in coatings and inks, it may be used as an intermediate or processing aid; and in pharmaceuticals, it may function as a synthetic intermediate. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.98
    methanol 1.67
    isopropanol 0.52
    water 0.0
    ethyl acetate 1.48
    n-propanol 1.3
    acetone 1.16
    n-butanol 0.85
    acetonitrile 0.48
    DMF 22.57
    toluene 0.29
    isobutanol 0.63
    1,4-dioxane 3.54
    methyl acetate 1.8
    THF 10.85
    2-butanone 3.05
    n-pentanol 0.65
    sec-butanol 0.73
    n-hexane 0.01
    ethylene glycol 1.5
    NMP 27.28
    cyclohexane 0.01
    DMSO 17.81
    n-butyl acetate 1.54
    n-octanol 0.41
    chloroform 0.71
    n-propyl acetate 1.19
    acetic acid 3.79
    dichloromethane 0.51
    cyclohexanone 4.01
    propylene glycol 3.05
    isopropyl acetate 0.99
    DMAc 24.92
    2-ethoxyethanol 5.2
    isopentanol 0.53
    n-heptane 0.02
    ethyl formate 1.33
    1,2-dichloroethane 0.57
    n-hexanol 0.55
    2-methoxyethanol 14.36
    isobutyl acetate 0.65
    tetrachloromethane 0.07
    n-pentyl acetate 1.43
    transcutol 10.88
    n-heptanol 0.61
    ethylbenzene 0.15
    MIBK 0.95
    2-propoxyethanol 9.61
    tert-butanol 0.46
    MTBE 0.42
    2-butoxyethanol 4.91
    propionic acid 2.86
    o-xylene 0.19
    formic acid 3.48
    diethyl ether 0.58
    m-xylene 0.19
    p-xylene 0.15
    chlorobenzene 0.25
    dimethyl carbonate 3.34
    n-octane 0.01
    formamide 4.97
    cyclopentanone 8.81
    2-pentanone 1.93
    anisole 0.76
    cyclopentyl methyl ether 1.7
    gamma-butyrolactone 11.57
    1-methoxy-2-propanol 13.16
    pyridine 3.36
    3-pentanone 1.58
    furfural 8.44
    n-dodecane 0.01
    diethylene glycol 8.76
    diisopropyl ether 0.1
    tert-amyl alcohol 0.68
    acetylacetone 2.87
    n-hexadecane 0.01
    acetophenone 1.43
    methyl propionate 3.46
    isopentyl acetate 1.26
    trichloroethylene 1.72
    n-nonanol 0.5
    cyclohexanol 0.59
    benzyl alcohol 1.23
    2-ethylhexanol 0.4
    isooctanol 0.47
    dipropyl ether 0.8
    1,2-dichlorobenzene 0.26
    ethyl lactate 2.6
    propylene carbonate 3.09
    n-methylformamide 8.15
    2-pentanol 0.42
    n-pentane 0.01
    1-propoxy-2-propanol 7.13
    1-methoxy-2-propyl acetate 5.49
    2-(2-methoxypropoxy) propanol 4.93
    mesitylene 0.09
    ε-caprolactone 4.91
    p-cymene 0.15
    epichlorohydrin 8.56
    1,1,1-trichloroethane 0.23
    2-aminoethanol 2.89
    morpholine-4-carbaldehyde 22.37
    sulfolane 25.09
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.43
    n-hexyl acetate 1.34
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.52
    sec-butyl acetate 0.72
    tert-butyl acetate 1.16
    decalin 0.01
    glycerin 11.23
    diglyme 9.79
    acrylic acid 4.33
    isopropyl myristate 0.47
    n-butyric acid 2.64
    acetyl acetate 0.92
    di(2-ethylhexyl) phthalate 0.98
    ethyl propionate 1.35
    nitromethane 7.81
    1,2-diethoxyethane 1.95
    benzonitrile 0.77
    trioctyl phosphate 0.69
    1-bromopropane 0.26
    gamma-valerolactone 23.4
    n-decanol 0.32
    triethyl phosphate 1.01
    4-methyl-2-pentanol 0.24
    propionitrile 0.92
    vinylene carbonate 3.42
    1,1,2-trichlorotrifluoroethane 16.95
    DMS 2.49
    cumene 0.1
    2-octanol 0.34
    2-hexanone 1.32
    octyl acetate 0.76
    limonene 0.21
    1,2-dimethoxyethane 6.65
    ethyl orthosilicate 0.89
    tributyl phosphate 0.73
    diacetone alcohol 4.08
    N,N-dimethylaniline 0.65
    acrylonitrile 2.02
    aniline 0.91
    1,3-propanediol 3.3
    bromobenzene 0.18
    dibromomethane 0.25
    1,1,2,2-tetrachloroethane 1.78
    2-methyl-cyclohexyl acetate 1.15
    tetrabutyl urea 1.32
    diisobutyl methanol 0.26
    2-phenylethanol 1.27
    styrene 0.15
    dioctyl adipate 1.15
    dimethyl sulfate 8.55
    ethyl butyrate 1.34
    methyl lactate 8.61
    butyl lactate 3.03
    diethyl carbonate 0.85
    propanediol butyl ether 4.61
    triethyl orthoformate 1.51
    p-tert-butyltoluene 0.16
    methyl 4-tert-butylbenzoate 2.64
    morpholine 7.18
    tert-butylamine 0.12
    n-dodecanol 0.2
    dimethoxymethane 9.62
    ethylene carbonate 2.14
    cyrene 7.44
    2-ethoxyethyl acetate 3.44
    2-ethylhexyl acetate 1.01
    1,2,4-trichlorobenzene 0.57
    4-methylpyridine 1.9
    dibutyl ether 0.45
    2,6-dimethyl-4-heptanol 0.26
    DEF 4.42
    dimethyl isosorbide 8.34
    tetrachloroethylene 0.92
    eugenol 3.07
    triacetin 3.15
    span 80 4.05
    1,4-butanediol 1.02
    1,1-dichloroethane 0.26
    2-methyl-1-pentanol 0.49
    methyl formate 4.64
    2-methyl-1-butanol 0.71
    n-decane 0.02
    butyronitrile 0.65
    3,7-dimethyl-1-octanol 0.41
    1-chlorooctane 0.12
    1-chlorotetradecane 0.04
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 1.17
    tetrahydropyran 1.42
    tert-amyl methyl ether 0.67
    2,5,8-trioxanonane 6.51
    1-hexene 0.08
    2-isopropoxyethanol 2.62
    2,2,2-trifluoroethanol 1.43
    methyl butyrate 1.72

    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