Chrysanthellin A

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  • Identifiers

    CAS number
    73039-13-1

    Molecular formula
    C58H94O25

    SMILES
    CC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(OC(C(C3O)O)OC4C(C(COC4OC(=O)C56CCC(CC5C7=CCC8C9(CCC(C(C9CCC8(C7(CC6O)C)C)(C)C)OC1C(C(C(C(O1)CO)O)O)O)C)(C)C)O)O)C)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 58.46%
    Woody 37.33%
    Sweet 33.57%
    Spicy 28.29%
    Cooling 24.14%
    Balsamic 21.52%
    Mint 20.7%
    Dry 20.69%
    Amber 20.26%
    Warm 19.97%

     

    Flavor
    Bitter 55.51%
    Sweet 34.46%
    Fatty 32.51%
    Odorless 31.19%
    Sweet-like 28.06%
    Bland 24.26%
    Cedarleaf 21.52%
    Metallic 21.02%
    Patchouli 20.73%
    Mentholic 20.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -0.2

    pKa est.
    2.04 (strong acid)

    Molecular weight
    1191.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    3341°C

    Flash point

    • 179.29 ˚C est.

  • Synonyms

    • CHRYSANTHELLIN A
    • [3-[5-[3,5-dihydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] 5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
    • (3-(5-(3,5-dihydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-3,4-dihydroxy-6-methyloxan-2-yl)oxy-4,5-dihydroxyoxan-2-yl) 5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
    • RefChem:1081551
    • 73039-13-1
    • Chrysantellin A
    • MFCD00075717
    • EINECS 277-245-7
    • C58H94O25
    • orb1942045
    • orb1992303
    • SCHEMBL29558957
    • IBEZGTWSSFFKNB-UHFFFAOYSA-N
    • DTXSID801098866
    • AKOS040734448
    • FC65735
    • DA-62304
    • O-6-Deoxy-alpha-L-mannopyranosyl-(1a3)-O-beta-D-xylopyranosyl-(1a4)-O-6-deoxy-alpha-L-mannopyranosyl-(1a2)-alpha-D-xylopyranosyl (3beta,16alpha)-3-(beta-D-glucopyranosyloxy)-16-hydroxyolean-12-en-28-oate
    • Olean-12-en-28-oic acid, 3-(beta-D-glucopyranosyloxy)-16-hydroxy-, O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-O-beta-D-xylopyranosyl-(1-4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-D-xylopyranosyl ester, (3beta,16alpha)-
    • Olean-12-en-28-oic acid, 3-(beta-D-glucopyranosyloxy)-16-hydroxy-,O-6-deoxy-alpha-l-mannopyranosyl-(1.3)-O-beta-D-xylopyranosyl-(1. 4)-O-6-deoxy-alpha-l-mannopyranosyl-(1.2)-alpha-D-xylopyranosyl ester, (3beta,16alpha)-
    • 73039-13-1

  • Applications

    Chrysanthellin A (CAS 73039-13-1) is a natural flavonoid pigment explored primarily as a colorant for cosmetics and personal care products, as well as a pigment additive for coatings and inks; it is also evaluated as an intermediate in pigment synthesis for polymer and plastics applications, and its antioxidant-like properties are studied for formulation stabilization, with potential use as a functional additive in certain materials and packaging, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.14
    methanol 30.89
    isopropanol 0.72
    water 0.12
    ethyl acetate 2.59
    n-propanol 1.46
    acetone 3.7
    n-butanol 0.64
    acetonitrile 1.69
    DMF 63.7
    toluene 0.83
    isobutanol 0.57
    1,4-dioxane 10.56
    methyl acetate 3.41
    THF 19.54
    2-butanone 2.8
    n-pentanol 0.57
    sec-butanol 0.55
    n-hexane 0.02
    ethylene glycol 6.17
    NMP 73.63
    cyclohexane 0.06
    DMSO 47.31
    n-butyl acetate 1.12
    n-octanol 0.75
    chloroform 5.46
    n-propyl acetate 1.21
    acetic acid 36.85
    dichloromethane 5.07
    cyclohexanone 4.25
    propylene glycol 5.86
    isopropyl acetate 1.49
    DMAc 49.68
    2-ethoxyethanol 9.69
    isopentanol 0.4
    n-heptane 0.05
    ethyl formate 2.99
    1,2-dichloroethane 2.15
    n-hexanol 0.55
    2-methoxyethanol 25.25
    isobutyl acetate 0.63
    tetrachloromethane 0.56
    n-pentyl acetate 2.05
    transcutol 19.0
    n-heptanol 0.96
    ethylbenzene 0.28
    MIBK 0.98
    2-propoxyethanol 10.98
    tert-butanol 0.59
    MTBE 0.55
    2-butoxyethanol 7.5
    propionic acid 4.81
    o-xylene 0.57
    formic acid 56.54
    diethyl ether 0.96
    m-xylene 0.58
    p-xylene 0.34
    chlorobenzene 0.88
    dimethyl carbonate 10.18
    n-octane 0.03
    formamide 36.76
    cyclopentanone 11.7
    2-pentanone 1.84
    anisole 1.64
    cyclopentyl methyl ether 3.32
    gamma-butyrolactone 22.46
    1-methoxy-2-propanol 12.42
    pyridine 7.01
    3-pentanone 1.92
    furfural 25.66
    n-dodecane 0.02
    diethylene glycol 16.6
    diisopropyl ether 0.2
    tert-amyl alcohol 0.52
    acetylacetone 7.51
    n-hexadecane 0.02
    acetophenone 2.73
    methyl propionate 4.94
    isopentyl acetate 0.94
    trichloroethylene 8.31
    n-nonanol 0.8
    cyclohexanol 0.67
    benzyl alcohol 2.31
    2-ethylhexanol 0.3
    isooctanol 0.6
    dipropyl ether 0.8
    1,2-dichlorobenzene 1.13
    ethyl lactate 3.1
    propylene carbonate 8.05
    n-methylformamide 26.27
    2-pentanol 0.33
    n-pentane 0.03
    1-propoxy-2-propanol 5.48
    1-methoxy-2-propyl acetate 5.9
    2-(2-methoxypropoxy) propanol 6.28
    mesitylene 0.3
    ε-caprolactone 5.94
    p-cymene 0.26
    epichlorohydrin 16.39
    1,1,1-trichloroethane 1.18
    2-aminoethanol 7.31
    morpholine-4-carbaldehyde 67.91
    sulfolane 53.09
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 3.15
    n-hexyl acetate 2.07
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 8.35
    sec-butyl acetate 0.69
    tert-butyl acetate 1.72
    decalin 0.03
    glycerin 22.22
    diglyme 18.95
    acrylic acid 12.64
    isopropyl myristate 0.45
    n-butyric acid 3.54
    acetyl acetate 3.95
    di(2-ethylhexyl) phthalate 1.26
    ethyl propionate 1.34
    nitromethane 53.16
    1,2-diethoxyethane 2.46
    benzonitrile 1.43
    trioctyl phosphate 0.76
    1-bromopropane 0.44
    gamma-valerolactone 42.21
    n-decanol 0.44
    triethyl phosphate 1.09
    4-methyl-2-pentanol 0.23
    propionitrile 0.98
    vinylene carbonate 10.61
    1,1,2-trichlorotrifluoroethane 45.8
    DMS 3.91
    cumene 0.19
    2-octanol 0.41
    2-hexanone 1.03
    octyl acetate 0.95
    limonene 0.31
    1,2-dimethoxyethane 10.79
    ethyl orthosilicate 0.93
    tributyl phosphate 0.64
    diacetone alcohol 4.36
    N,N-dimethylaniline 1.57
    acrylonitrile 3.18
    aniline 1.63
    1,3-propanediol 4.61
    bromobenzene 0.78
    dibromomethane 1.73
    1,1,2,2-tetrachloroethane 5.45
    2-methyl-cyclohexyl acetate 1.22
    tetrabutyl urea 1.23
    diisobutyl methanol 0.2
    2-phenylethanol 2.08
    styrene 0.34
    dioctyl adipate 1.33
    dimethyl sulfate 25.87
    ethyl butyrate 1.15
    methyl lactate 12.86
    butyl lactate 3.36
    diethyl carbonate 0.87
    propanediol butyl ether 8.52
    triethyl orthoformate 1.54
    p-tert-butyltoluene 0.29
    methyl 4-tert-butylbenzoate 5.14
    morpholine 12.46
    tert-butylamine 0.17
    n-dodecanol 0.24
    dimethoxymethane 28.26
    ethylene carbonate 5.67
    cyrene 15.37
    2-ethoxyethyl acetate 6.19
    2-ethylhexyl acetate 0.73
    1,2,4-trichlorobenzene 1.97
    4-methylpyridine 3.38
    dibutyl ether 0.4
    2,6-dimethyl-4-heptanol 0.2
    DEF 5.81
    dimethyl isosorbide 13.48
    tetrachloroethylene 4.4
    eugenol 5.39
    triacetin 6.89
    span 80 6.04
    1,4-butanediol 2.04
    1,1-dichloroethane 1.01
    2-methyl-1-pentanol 0.36
    methyl formate 23.84
    2-methyl-1-butanol 0.44
    n-decane 0.05
    butyronitrile 0.57
    3,7-dimethyl-1-octanol 0.4
    1-chlorooctane 0.23
    1-chlorotetradecane 0.06
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.04
    cyclopentanol 1.55
    tetrahydropyran 2.32
    tert-amyl methyl ether 0.64
    2,5,8-trioxanonane 11.42
    1-hexene 0.09
    2-isopropoxyethanol 3.79
    2,2,2-trifluoroethanol 14.48
    methyl butyrate 1.67

    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