Rubraflavone A

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  • Identifiers

    CAS number
    54510-13-3

    Molecular formula
    C25H26O5

    SMILES
    CC(=CCC/C(=C/CC1=C(OC2=C(C1=O)C=CC(=C2)O)C3=C(C=C(C=C3)O)O)/C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 45.67%
    Spicy 37.33%
    Phenolic 37.14%
    Woody 29.05%
    Dry 24.55%
    Odorless 24.29%
    Animal 24.02%
    Sweet 23.58%
    Balsamic 23.06%
    Burnt 21.67%

     

    Flavor
    Bitter 82.75%
    Cedarleaf 20.08%
    Lovage 19.95%
    Parsley 19.57%
    Nitrile 18.94%
    Heather 18.73%
    Thymol 18.55%
    Oriental 18.55%
    Broom 18.47%
    Genet 18.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    10.62 (weak base)

    Molecular weight
    406.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    834°C

    Flash point

    • 242.61 ˚C est.

  • Synonyms

    • Rubraflavone A
    • 54510-13-3
    • CHEBI:175249
    • DTXSID101117394
    • LMPK12110052
    • 3-Geranyl-2',4',7-trihydroxyflavone
    • 2-(2,4-dihydroxyphenyl)-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-4-one
    • 2-(2,4-Dihydroxyphenyl)-3-(3,7-dimethyl-2,6-octadienyl)-7-hydroxy-4H-1-benzopyran-4-one, 9CI
    • 2-(2,4-Dihydroxyphenyl)-3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-7-hydroxy-4H-1-benzopyran-4-one
    • 2-(2,4-Dihydroxyphenyl)-3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-7-hydroxy-4H-1-benzopyran-4-one
    • 54510-13-3

  • Applications

    Rubraflavone A (CAS 54510-13-3) is a flavone with potential applications across several industrial sectors: it may serve as a synthetic chemistry intermediate in chemical manufacturing; it is evaluated as an antioxidant and/or colorant or stabilizer for cosmetic and personal care formulations; it is considered as a fragrance intermediate or aroma component for perfumery; it can function as a stabilizer or colorant in coatings and inks; and it may act as a stabilizer or antioxidant in polymer and plastics systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.21
    methanol 2.95
    isopropanol 1.56
    water 0.0
    ethyl acetate 1.61
    n-propanol 2.96
    acetone 4.76
    n-butanol 1.74
    acetonitrile 1.33
    DMF 30.31
    toluene 0.63
    isobutanol 1.72
    1,4-dioxane 11.43
    methyl acetate 4.48
    THF 38.09
    2-butanone 7.16
    n-pentanol 2.17
    sec-butanol 2.15
    n-hexane 0.02
    ethylene glycol 1.75
    NMP 37.96
    cyclohexane 0.02
    DMSO 61.21
    n-butyl acetate 2.15
    n-octanol 1.0
    chloroform 2.29
    n-propyl acetate 2.51
    acetic acid 11.41
    dichloromethane 2.4
    cyclohexanone 8.57
    propylene glycol 7.93
    isopropyl acetate 1.63
    DMAc 61.14
    2-ethoxyethanol 15.54
    isopentanol 1.68
    n-heptane 0.02
    ethyl formate 1.82
    1,2-dichloroethane 1.92
    n-hexanol 1.08
    2-methoxyethanol 29.87
    isobutyl acetate 2.13
    tetrachloromethane 0.12
    n-pentyl acetate 3.09
    transcutol 141.86
    n-heptanol 1.28
    ethylbenzene 0.29
    MIBK 2.17
    2-propoxyethanol 18.86
    tert-butanol 2.11
    MTBE 1.42
    2-butoxyethanol 11.17
    propionic acid 6.29
    o-xylene 0.35
    formic acid 4.73
    diethyl ether 0.73
    m-xylene 0.37
    p-xylene 0.51
    chlorobenzene 0.95
    dimethyl carbonate 3.81
    n-octane 0.01
    formamide 7.18
    cyclopentanone 20.53
    2-pentanone 2.75
    anisole 2.71
    cyclopentyl methyl ether 3.01
    gamma-butyrolactone 26.23
    1-methoxy-2-propanol 24.21
    pyridine 10.41
    3-pentanone 2.27
    furfural 20.39
    n-dodecane 0.02
    diethylene glycol 15.14
    diisopropyl ether 0.21
    tert-amyl alcohol 2.32
    acetylacetone 7.96
    n-hexadecane 0.02
    acetophenone 4.09
    methyl propionate 3.74
    isopentyl acetate 3.05
    trichloroethylene 7.88
    n-nonanol 1.22
    cyclohexanol 1.37
    benzyl alcohol 3.77
    2-ethylhexanol 0.8
    isooctanol 1.32
    dipropyl ether 1.19
    1,2-dichlorobenzene 0.94
    ethyl lactate 4.17
    propylene carbonate 6.42
    n-methylformamide 8.67
    2-pentanol 0.89
    n-pentane 0.01
    1-propoxy-2-propanol 13.51
    1-methoxy-2-propyl acetate 10.39
    2-(2-methoxypropoxy) propanol 21.84
    mesitylene 0.18
    ε-caprolactone 9.44
    p-cymene 0.32
    epichlorohydrin 38.6
    1,1,1-trichloroethane 0.88
    2-aminoethanol 4.86
    morpholine-4-carbaldehyde 51.01
    sulfolane 54.78
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 7.09
    n-hexyl acetate 3.66
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 29.57
    sec-butyl acetate 1.76
    tert-butyl acetate 3.22
    decalin 0.02
    glycerin 18.01
    diglyme 51.47
    acrylic acid 8.48
    isopropyl myristate 1.46
    n-butyric acid 4.51
    acetyl acetate 1.92
    di(2-ethylhexyl) phthalate 3.18
    ethyl propionate 1.94
    nitromethane 22.88
    1,2-diethoxyethane 10.35
    benzonitrile 2.14
    trioctyl phosphate 1.55
    1-bromopropane 0.43
    gamma-valerolactone 61.78
    n-decanol 0.82
    triethyl phosphate 2.13
    4-methyl-2-pentanol 0.72
    propionitrile 1.38
    vinylene carbonate 6.3
    1,1,2-trichlorotrifluoroethane 38.88
    DMS 6.82
    cumene 0.24
    2-octanol 0.7
    2-hexanone 3.42
    octyl acetate 1.94
    limonene 0.37
    1,2-dimethoxyethane 20.81
    ethyl orthosilicate 2.01
    tributyl phosphate 2.12
    diacetone alcohol 11.01
    N,N-dimethylaniline 1.93
    acrylonitrile 3.07
    aniline 2.33
    1,3-propanediol 6.74
    bromobenzene 0.73
    dibromomethane 0.83
    1,1,2,2-tetrachloroethane 6.22
    2-methyl-cyclohexyl acetate 3.13
    tetrabutyl urea 3.56
    diisobutyl methanol 0.69
    2-phenylethanol 3.28
    styrene 0.38
    dioctyl adipate 4.12
    dimethyl sulfate 10.86
    ethyl butyrate 2.0
    methyl lactate 8.92
    butyl lactate 6.91
    diethyl carbonate 1.55
    propanediol butyl ether 15.97
    triethyl orthoformate 3.18
    p-tert-butyltoluene 0.35
    methyl 4-tert-butylbenzoate 8.49
    morpholine 20.76
    tert-butylamine 0.53
    n-dodecanol 0.54
    dimethoxymethane 14.44
    ethylene carbonate 3.79
    cyrene 20.78
    2-ethoxyethyl acetate 10.98
    2-ethylhexyl acetate 2.08
    1,2,4-trichlorobenzene 2.31
    4-methylpyridine 5.3
    dibutyl ether 1.4
    2,6-dimethyl-4-heptanol 0.69
    DEF 5.48
    dimethyl isosorbide 36.01
    tetrachloroethylene 2.35
    eugenol 10.24
    triacetin 12.28
    span 80 13.75
    1,4-butanediol 2.44
    1,1-dichloroethane 0.83
    2-methyl-1-pentanol 2.14
    methyl formate 6.5
    2-methyl-1-butanol 1.87
    n-decane 0.03
    butyronitrile 1.02
    3,7-dimethyl-1-octanol 1.34
    1-chlorooctane 0.26
    1-chlorotetradecane 0.12
    n-nonane 0.02
    undecane 0.02
    tert-butylcyclohexane 0.03
    cyclooctane 0.01
    cyclopentanol 2.9
    tetrahydropyran 3.82
    tert-amyl methyl ether 1.33
    2,5,8-trioxanonane 35.52
    1-hexene 0.13
    2-isopropoxyethanol 9.31
    2,2,2-trifluoroethanol 2.68
    methyl butyrate 3.1

    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