Cupressuflavone

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  • Identifiers

    CAS number
    3952-18-9

    Molecular formula
    C30H18O10

    SMILES
    C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 60.08%
    Odorless 52.31%
    Burnt 33.7%
    Medicinal 27.9%
    Smoky 23.3%
    Spicy 22.17%
    Bitter 21.76%
    Animal 20.69%
    Balsamic 19.74%
    Nutty 19.34%

     

    Flavor
    Bitter 97.02%
    Odorless 23.19%
    Sweet-like 19.74%
    Very strong 19.69%
    Cedarleaf 19.5%
    Indole 19.39%
    Nitrile 19.38%
    Lovage 18.69%
    Rotten 18.6%
    Parsley 18.52%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    9.08 (weak base)

    Molecular weight
    538.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3011°C

    Flash point

    • 323.54 ˚C est.

  • Synonyms

    • Cupressuflavone
    • 3952-18-9
    • 8,8''-Biapigenin
    • CHEBI:3960
    • 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • DTXSID80415153
    • 8-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • RefChem:128816
    • DTXCID70366004
    • CUPRESSUFLAVONE TRIHYDRATE
    • MFCD00210489
    • MLS002472961
    • CHEMBL1208973
    • SMR001397068
    • CUPRESSUFLAVONE 3-HYDRATE
    • SCHEMBL505213
    • orb1682876
    • SCHEMBL31670258
    • HMS2271A07
    • HY-N9173
    • BDBM50323213
    • LMPK12040010
    • AKOS040761546
    • FC74972
    • DA-52165
    • FS-10671
    • CS-0158904
    • E80550
    • SR-01000872418
    • SR-01000872418-2
    • Q27068159
    • 4',4''',5,5'',7,7''-hexahydroxy-8-8''-biflavone
    • 5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-4H,4'H-8,8'-bichromene-4,4'-dione
    • 5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-4H,4'H-[8,8'-bi-1-benzopyran]-4,4'-dione
    • 8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • 3952-18-9

  • Applications

    Cupressuflavone is a natural biflavonoid that is commonly evaluated for antioxidant activity and radical-scavenging potential. In cosmetics and personal care, it can serve as a natural antioxidant and formulation stabilizer to improve product shelf life. In polymer and plastics applications, it is explored as an antioxidant additive to enhance oxidative stability of materials. In coatings and inks, it is investigated as a natural stabilizer to extend durability and color retention. In pharmaceutical and natural product research, it is studied for potential pharmacological activity and as a scaffold in natural product discovery. In research and development contexts, it is used for isolation, characterization, and standardization of Cupressus-derived extracts.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.17
    methanol 1.9
    isopropanol 1.11
    water 0.0
    ethyl acetate 0.61
    n-propanol 2.2
    acetone 1.05
    n-butanol 1.13
    acetonitrile 0.2
    DMF 21.82
    toluene 0.05
    isobutanol 0.69
    1,4-dioxane 2.83
    methyl acetate 1.25
    THF 13.47
    2-butanone 3.18
    n-pentanol 0.49
    sec-butanol 1.32
    n-hexane 0.0
    ethylene glycol 1.72
    NMP 23.05
    cyclohexane 0.0
    DMSO 65.63
    n-butyl acetate 0.45
    n-octanol 0.14
    chloroform 0.1
    n-propyl acetate 0.44
    acetic acid 3.51
    dichloromethane 0.11
    cyclohexanone 2.39
    propylene glycol 3.52
    isopropyl acetate 0.31
    DMAc 26.32
    2-ethoxyethanol 5.87
    isopentanol 0.46
    n-heptane 0.0
    ethyl formate 0.92
    1,2-dichloroethane 0.16
    n-hexanol 0.17
    2-methoxyethanol 21.55
    isobutyl acetate 0.11
    tetrachloromethane 0.01
    n-pentyl acetate 0.31
    transcutol 5.47
    n-heptanol 0.16
    ethylbenzene 0.02
    MIBK 0.28
    2-propoxyethanol 4.79
    tert-butanol 0.47
    MTBE 0.24
    2-butoxyethanol 2.08
    propionic acid 2.35
    o-xylene 0.03
    formic acid 3.02
    diethyl ether 0.36
    m-xylene 0.02
    p-xylene 0.02
    chlorobenzene 0.02
    dimethyl carbonate 0.77
    n-octane 0.0
    formamide 5.39
    cyclopentanone 6.89
    2-pentanone 1.06
    anisole 0.16
    cyclopentyl methyl ether 0.68
    gamma-butyrolactone 8.26
    1-methoxy-2-propanol 11.73
    pyridine 2.04
    3-pentanone 0.62
    furfural 5.15
    n-dodecane 0.0
    diethylene glycol 4.41
    diisopropyl ether 0.03
    tert-amyl alcohol 0.71
    acetylacetone 1.11
    n-hexadecane 0.0
    acetophenone 0.29
    methyl propionate 1.29
    isopentyl acetate 0.29
    trichloroethylene 0.35
    n-nonanol 0.17
    cyclohexanol 0.5
    benzyl alcohol 0.39
    2-ethylhexanol 0.09
    isooctanol 0.1
    dipropyl ether 0.29
    1,2-dichlorobenzene 0.02
    ethyl lactate 0.84
    propylene carbonate 1.42
    n-methylformamide 7.33
    2-pentanol 0.4
    n-pentane 0.0
    1-propoxy-2-propanol 3.18
    1-methoxy-2-propyl acetate 1.45
    2-(2-methoxypropoxy) propanol 2.12
    mesitylene 0.01
    ε-caprolactone 3.03
    p-cymene 0.01
    epichlorohydrin 6.47
    1,1,1-trichloroethane 0.04
    2-aminoethanol 3.84
    morpholine-4-carbaldehyde 18.72
    sulfolane 24.32
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 2.34
    n-hexyl acetate 0.34
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.68
    sec-butyl acetate 0.2
    tert-butyl acetate 0.29
    decalin 0.0
    glycerin 10.07
    diglyme 5.16
    acrylic acid 2.64
    isopropyl myristate 0.11
    n-butyric acid 1.82
    acetyl acetate 0.22
    di(2-ethylhexyl) phthalate 0.18
    ethyl propionate 0.45
    nitromethane 6.45
    1,2-diethoxyethane 0.73
    benzonitrile 0.13
    trioctyl phosphate 0.15
    1-bromopropane 0.09
    gamma-valerolactone 24.05
    n-decanol 0.11
    triethyl phosphate 0.25
    4-methyl-2-pentanol 0.1
    propionitrile 0.36
    vinylene carbonate 1.02
    1,1,2-trichlorotrifluoroethane 8.41
    DMS 0.36
    cumene 0.01
    2-octanol 0.09
    2-hexanone 0.59
    octyl acetate 0.2
    limonene 0.03
    1,2-dimethoxyethane 6.95
    ethyl orthosilicate 0.2
    tributyl phosphate 0.18
    diacetone alcohol 1.78
    N,N-dimethylaniline 0.11
    acrylonitrile 0.78
    aniline 0.3
    1,3-propanediol 5.43
    bromobenzene 0.01
    dibromomethane 0.05
    1,1,2,2-tetrachloroethane 0.39
    2-methyl-cyclohexyl acetate 0.21
    tetrabutyl urea 0.41
    diisobutyl methanol 0.05
    2-phenylethanol 0.22
    styrene 0.02
    dioctyl adipate 0.31
    dimethyl sulfate 2.56
    ethyl butyrate 0.41
    methyl lactate 3.24
    butyl lactate 0.84
    diethyl carbonate 0.22
    propanediol butyl ether 1.92
    triethyl orthoformate 0.46
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.46
    morpholine 9.3
    tert-butylamine 0.09
    n-dodecanol 0.07
    dimethoxymethane 4.93
    ethylene carbonate 0.71
    cyrene 2.66
    2-ethoxyethyl acetate 0.88
    2-ethylhexyl acetate 0.19
    1,2,4-trichlorobenzene 0.05
    4-methylpyridine 0.79
    dibutyl ether 0.18
    2,6-dimethyl-4-heptanol 0.05
    DEF 2.55
    dimethyl isosorbide 3.02
    tetrachloroethylene 0.16
    eugenol 0.67
    triacetin 0.64
    span 80 1.44
    1,4-butanediol 0.91
    1,1-dichloroethane 0.07
    2-methyl-1-pentanol 0.27
    methyl formate 3.22
    2-methyl-1-butanol 0.68
    n-decane 0.0
    butyronitrile 0.32
    3,7-dimethyl-1-octanol 0.09
    1-chlorooctane 0.02
    1-chlorotetradecane 0.01
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 1.36
    tetrahydropyran 1.38
    tert-amyl methyl ether 0.31
    2,5,8-trioxanonane 3.36
    1-hexene 0.03
    2-isopropoxyethanol 1.86
    2,2,2-trifluoroethanol 0.86
    methyl butyrate 0.84

    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