Cirsiliol

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  • Identifiers

    CAS number
    34334-69-5

    Molecular formula
    C17H14O7

    SMILES
    COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 63.53%
    Odorless 42.64%
    Burnt 42.61%
    Vanilla 38.97%
    Smoky 38.96%
    Spicy 38.0%
    Balsamic 30.85%
    Medicinal 28.46%
    Woody 25.45%
    Sweet 22.49%

     

    Flavor
    Bitter 86.07%
    Bland 24.28%
    Odorless 22.91%
    Eugenol 21.89%
    Sweet-like 21.45%
    Parsley 21.39%
    Cedarleaf 20.23%
    Ham 20.08%
    Allspice 19.89%
    Lovage 19.88%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    9.65 (weak base)

    Molecular weight
    330.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    822°C

    Flash point

    • 225.97 ˚C est.

  • Synonyms

    • Cirsiliol
    • 34334-69-5
    • 3',4',5-Trihydroxy-6,7-dimethoxyflavone
    • 6,7-Dimethoxy-5,3',4'-trihydroxyflavone
    • 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
    • 8W4Y5JK3XE
    • DTXSID60187907
    • 3',4',5-trihydroxy-6,7-dimethoxy-flavone
    • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-
    • CHEBI:3719
    • RefChem:126359
    • DTXCID80110398
    • 6,7-DIMETHOXY-3',4',5-TRIHYDROXYFLAVONE
    • Crisiliol
    • CHEMBL72637
    • 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-1-benzopyran-4-one
    • MFCD00210577
    • 5,3',4'-trihydroxy-6,7-dimethoxyflavone
    • 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-4H-chromen-4-one
    • 2-(3,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxy-chromen-4-one
    • circiliol
    • UNII-8W4Y5JK3XE
    • Cirsiliol - Bio-X trade mark
    • orb1710044
    • SCHEMBL1614677
    • SCHEMBL29928874
    • 6-methoxyluteolin 7-methyl ether
    • BDBM50025321
    • LMPK12111227
    • AKOS025287589
    • EBC-460079
    • FD66719
    • BD300069
    • DA-51928
    • MS-24955
    • HY-110399
    • CS-0040434
    • ST50331608
    • 5,3'',4''-Trihydroxy-6,7-dimethoxyflavone
    • E80755
    • AA-504/20989024
    • Q27106177
    • 2-(3,4-Dihydroxy-phenyl)-5-hydroxy-6,7-dimethoxy-chromen-4-one
    • 34334-69-5

  • Applications

    Cirsiliol (CAS 34334-69-5) is a natural flavonoid that is primarily of interest to research and analytical work rather than as a bulk industrial material. In practice, it is commonly used as an analytical reference standard for authenticating plant extracts (HPLC/LC-MS) and for profiling flavonoid content. It also serves as a building block or synthetic intermediate in the preparation of flavonoid derivatives for medicinal chemistry and natural-product research, and is considered in cosmetic science as a scaffold for derivative development and formulation studies. Other potential uses relate to evaluating sample characteristics and analytical characterization of plant-derived polyphenol extracts.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.1
    methanol 0.11
    isopropanol 0.19
    water 0.0
    ethyl acetate 0.35
    n-propanol 0.29
    acetone 0.12
    n-butanol 0.29
    acetonitrile 0.09
    DMF 4.12
    toluene 0.02
    isobutanol 0.25
    1,4-dioxane 0.8
    methyl acetate 0.44
    THF 6.41
    2-butanone 0.78
    n-pentanol 0.24
    sec-butanol 0.46
    n-hexane 0.01
    ethylene glycol 0.33
    NMP 7.9
    cyclohexane 0.0
    DMSO 22.36
    n-butyl acetate 0.57
    n-octanol 0.3
    chloroform 0.06
    n-propyl acetate 0.39
    acetic acid 0.57
    dichloromethane 0.1
    cyclohexanone 1.24
    propylene glycol 0.36
    isopropyl acetate 0.33
    DMAc 11.64
    2-ethoxyethanol 2.21
    isopentanol 0.4
    n-heptane 0.01
    ethyl formate 0.17
    1,2-dichloroethane 0.16
    n-hexanol 0.28
    2-methoxyethanol 4.65
    isobutyl acetate 0.22
    tetrachloromethane 0.01
    n-pentyl acetate 0.57
    transcutol 6.94
    n-heptanol 0.39
    ethylbenzene 0.04
    MIBK 0.4
    2-propoxyethanol 3.78
    tert-butanol 0.52
    MTBE 0.32
    2-butoxyethanol 2.23
    propionic acid 0.58
    o-xylene 0.05
    formic acid 0.54
    diethyl ether 0.16
    m-xylene 0.03
    p-xylene 0.05
    chlorobenzene 0.03
    dimethyl carbonate 0.73
    n-octane 0.01
    formamide 1.13
    cyclopentanone 2.7
    2-pentanone 0.37
    anisole 0.26
    cyclopentyl methyl ether 0.79
    gamma-butyrolactone 3.82
    1-methoxy-2-propanol 3.69
    pyridine 0.63
    3-pentanone 0.42
    furfural 2.6
    n-dodecane 0.01
    diethylene glycol 3.83
    diisopropyl ether 0.07
    tert-amyl alcohol 0.86
    acetylacetone 0.74
    n-hexadecane 0.01
    acetophenone 0.5
    methyl propionate 0.76
    isopentyl acetate 0.76
    trichloroethylene 0.33
    n-nonanol 0.4
    cyclohexanol 0.41
    benzyl alcohol 0.34
    2-ethylhexanol 0.37
    isooctanol 0.42
    dipropyl ether 0.51
    1,2-dichlorobenzene 0.07
    ethyl lactate 0.83
    propylene carbonate 0.84
    n-methylformamide 0.91
    2-pentanol 0.26
    n-pentane 0.0
    1-propoxy-2-propanol 2.63
    1-methoxy-2-propyl acetate 1.96
    2-(2-methoxypropoxy) propanol 3.17
    mesitylene 0.03
    ε-caprolactone 1.56
    p-cymene 0.12
    epichlorohydrin 3.8
    1,1,1-trichloroethane 0.06
    2-aminoethanol 0.53
    morpholine-4-carbaldehyde 6.83
    sulfolane 13.92
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.53
    n-hexyl acetate 0.72
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 3.38
    sec-butyl acetate 0.32
    tert-butyl acetate 0.7
    decalin 0.01
    glycerin 2.54
    diglyme 7.63
    acrylic acid 0.72
    isopropyl myristate 0.4
    n-butyric acid 0.53
    acetyl acetate 0.22
    di(2-ethylhexyl) phthalate 0.57
    ethyl propionate 0.58
    nitromethane 1.52
    1,2-diethoxyethane 1.31
    benzonitrile 0.21
    trioctyl phosphate 0.46
    1-bromopropane 0.08
    gamma-valerolactone 5.41
    n-decanol 0.3
    triethyl phosphate 0.95
    4-methyl-2-pentanol 0.22
    propionitrile 0.25
    vinylene carbonate 0.58
    1,1,2-trichlorotrifluoroethane 5.33
    DMS 0.97
    cumene 0.05
    2-octanol 0.26
    2-hexanone 0.49
    octyl acetate 0.53
    limonene 0.17
    1,2-dimethoxyethane 4.41
    ethyl orthosilicate 0.83
    tributyl phosphate 0.55
    diacetone alcohol 2.35
    N,N-dimethylaniline 0.39
    acrylonitrile 0.46
    aniline 0.18
    1,3-propanediol 1.09
    bromobenzene 0.02
    dibromomethane 0.04
    1,1,2,2-tetrachloroethane 0.44
    2-methyl-cyclohexyl acetate 0.8
    tetrabutyl urea 1.02
    diisobutyl methanol 0.3
    2-phenylethanol 0.53
    styrene 0.03
    dioctyl adipate 0.81
    dimethyl sulfate 3.23
    ethyl butyrate 0.76
    methyl lactate 1.72
    butyl lactate 0.99
    diethyl carbonate 0.63
    propanediol butyl ether 1.48
    triethyl orthoformate 1.12
    p-tert-butyltoluene 0.12
    methyl 4-tert-butylbenzoate 1.65
    morpholine 2.18
    tert-butylamine 0.15
    n-dodecanol 0.22
    dimethoxymethane 2.48
    ethylene carbonate 0.44
    cyrene 3.34
    2-ethoxyethyl acetate 1.32
    2-ethylhexyl acetate 0.58
    1,2,4-trichlorobenzene 0.17
    4-methylpyridine 0.33
    dibutyl ether 0.43
    2,6-dimethyl-4-heptanol 0.3
    DEF 1.56
    dimethyl isosorbide 5.97
    tetrachloroethylene 0.23
    eugenol 1.75
    triacetin 1.36
    span 80 1.68
    1,4-butanediol 0.27
    1,1-dichloroethane 0.04
    2-methyl-1-pentanol 0.42
    methyl formate 0.5
    2-methyl-1-butanol 0.48
    n-decane 0.02
    butyronitrile 0.15
    3,7-dimethyl-1-octanol 0.36
    1-chlorooctane 0.11
    1-chlorotetradecane 0.05
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.0
    cyclopentanol 0.66
    tetrahydropyran 0.46
    tert-amyl methyl ether 0.61
    2,5,8-trioxanonane 5.61
    1-hexene 0.03
    2-isopropoxyethanol 1.48
    2,2,2-trifluoroethanol 0.44
    methyl butyrate 0.72

    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