Cirsimaritin

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    6601-62-3

    Molecular formula
    C17H14O6

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

    Safety labels

    Acute Toxic
    Acute Toxic

    Environmental Hazard
    Environmental

  • Odor profile

    Phenolic 66.43%
    Spicy 41.87%
    Vanilla 41.02%
    Smoky 39.66%
    Sweet 39.17%
    Burnt 36.63%
    Medicinal 33.12%
    Balsamic 31.83%
    Woody 31.42%
    Odorless 28.7%

    Scent© AI

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.96 (weak base)

    Molecular weight
    314.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    683°C

    Flash point est.
    209.88 ˚C

  • Synonyms

    • Cirsimaritin
    • 6601-62-3
    • Scrophulein
    • Skrofulein
    • 4',5-Dihydroxy-6,7-dimethoxyflavone
    • 7-Methylcapillarisin
    • 6-Methoxygenkwanin
    • cirsimartin
    • 6,7-Dimethoxyscutellarein
    • F59VJ7UX6B
    • 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one
    • CIRCIMARITIN
    • CIRSITAKAOGENIN
    • CIRSUMARITIN
    • CHEBI:81337
    • 5-Hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-chromen-4-one
    • 4H-1-Benzopyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-
    • CHEMBL348436
    • 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-chromen-4-one
    • DTXSID00216220
    • 4',5-dihydroxy-6,7-dimethoxy-flavone
    • SCUTELLAREIN 6,7-DIMETHYL ETHER
    • 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one
    • Flavone, 4',5-dihydroxy-6,7-dimethoxy-
    • UNII-F59VJ7UX6B
    • MLS000876998
    • cid_188323
    • MEGxp0_000498
    • SCHEMBL1663486
    • ACon1_000850
    • DTXCID00138711
    • PubChem SID: 26725076
    • ZIIAJIWLQUVGHB-UHFFFAOYSA-N
    • HMS2271M05
    • BCP28927
    • HY-N6648
    • BDBM50049394
    • LMPK12111163
    • AKOS030556306
    • FC69723
    • 5,4''-Dihydroxy-6,7-dimethoxyflavone
    • Cirsimaritin, >=90% (LC/MS-ELSD)
    • (5,4'-Dihydroxy-6,7-dimethoxyflavone)
    • NCGC00169297-01
    • DA-67498
    • MS-24601
    • SMR000440660
    • CS-0067284
    • NS00097247
    • C17785
    • E80636
    • BRD-K58305393-001-01-2
    • Q27155276
    • 5-Hydroxy-2-(4-hydroxy-phenyl)-6,7-dimethoxy-chromen-4-one
    • 5-Hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxy-4H-chromen-4-one #
    • Scutellarein 6,7-dimethylether;4',5-Dihydroxy-6,7-dimethoxyflavone
    • Skrofulein;Scrophulein;5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethoxychromen-4-one

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.21
    methanol 0.23
    isopropanol 0.37
    water 0.0
    ethyl acetate 1.16
    n-propanol 0.5
    acetone 1.08
    n-butanol 0.49
    acetonitrile 0.65
    DMF 13.45
    toluene 0.13
    isobutanol 0.53
    1,4-dioxane 2.58
    methyl acetate 1.74
    THF 18.23
    2-butanone 2.44
    n-pentanol 0.55
    sec-butanol 0.66
    n-hexane 0.01
    ethylene glycol 0.77
    NMP 23.27
    cyclohexane 0.01
    DMSO 77.19
    n-butyl acetate 1.8
    n-octanol 0.51
    chloroform 0.7
    n-propyl acetate 1.55
    acetic acid 2.42
    dichloromethane 1.16
    cyclohexanone 4.88
    propylene glycol 0.85
    isopropyl acetate 1.13
    DMAc 27.04
    2-ethoxyethanol 4.34
    isopentanol 0.84
    n-heptane 0.03
    ethyl formate 0.72
    1,2-dichloroethane 1.44
    n-hexanol 0.55
    2-methoxyethanol 8.35
    isobutyl acetate 1.13
    tetrachloromethane 0.07
    n-pentyl acetate 1.38
    transcutol 21.38
    n-heptanol 0.67
    ethylbenzene 0.16
    MIBK 1.49
    2-propoxyethanol 7.16
    tert-butanol 1.09
    MTBE 0.75
    2-butoxyethanol 3.79
    propionic acid 1.81
    o-xylene 0.22
    formic acid 1.31
    diethyl ether 0.39
    m-xylene 0.16
    p-xylene 0.26
    chlorobenzene 0.32
    dimethyl carbonate 2.63
    n-octane 0.02
    formamide 3.28
    cyclopentanone 10.58
    2-pentanone 1.29
    anisole 1.01
    cyclopentyl methyl ether 2.38
    gamma-butyrolactone 14.89
    1-methoxy-2-propanol 6.59
    pyridine 2.47
    3-pentanone 1.36
    furfural 11.16
    n-dodecane 0.03
    diethylene glycol 8.35
    diisopropyl ether 0.19
    tert-amyl alcohol 1.22
    acetylacetone 3.61
    n-hexadecane 0.03
    acetophenone 2.17
    methyl propionate 2.31
    isopentyl acetate 2.27
    trichloroethylene 3.46
    n-nonanol 0.66
    cyclohexanol 0.94
    benzyl alcohol 1.36
    2-ethylhexanol 0.78
    isooctanol 0.78
    dipropyl ether 1.09
    1,2-dichlorobenzene 0.62
    ethyl lactate 2.36
    propylene carbonate 3.95
    n-methylformamide 2.81
    2-pentanol 0.42
    n-pentane 0.01
    1-propoxy-2-propanol 5.07
    1-methoxy-2-propyl acetate 5.19
    2-(2-methoxypropoxy) propanol 6.96
    mesitylene 0.13
    ε-caprolactone 5.12
    p-cymene 0.42
    epichlorohydrin 18.13
    1,1,1-trichloroethane 0.55
    2-aminoethanol 1.1
    morpholine-4-carbaldehyde 19.22
    sulfolane 44.15
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 3.97
    n-hexyl acetate 1.71
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 7.15
    sec-butyl acetate 1.22
    tert-butyl acetate 2.2
    decalin 0.03
    glycerin 5.32
    diglyme 16.86
    acrylic acid 2.55
    isopropyl myristate 1.01
    n-butyric acid 1.54
    acetyl acetate 1.19
    di(2-ethylhexyl) phthalate 1.58
    ethyl propionate 1.81
    nitromethane 8.29
    1,2-diethoxyethane 3.41
    benzonitrile 1.22
    trioctyl phosphate 1.12
    1-bromopropane 0.39
    gamma-valerolactone 18.04
    n-decanol 0.52
    triethyl phosphate 2.38
    4-methyl-2-pentanol 0.48
    propionitrile 1.0
    vinylene carbonate 3.23
    1,1,2-trichlorotrifluoroethane 17.46
    DMS 3.49
    cumene 0.2
    2-octanol 0.44
    2-hexanone 1.82
    octyl acetate 1.22
    limonene 0.56
    1,2-dimethoxyethane 9.69
    ethyl orthosilicate 2.06
    tributyl phosphate 1.47
    diacetone alcohol 5.61
    N,N-dimethylaniline 1.25
    acrylonitrile 2.08
    aniline 0.77
    1,3-propanediol 1.99
    bromobenzene 0.25
    dibromomethane 0.44
    1,1,2,2-tetrachloroethane 3.26
    2-methyl-cyclohexyl acetate 2.52
    tetrabutyl urea 2.54
    diisobutyl methanol 0.74
    2-phenylethanol 1.66
    styrene 0.16
    dioctyl adipate 2.28
    dimethyl sulfate 11.21
    ethyl butyrate 2.07
    methyl lactate 4.27
    butyl lactate 2.37
    diethyl carbonate 1.77
    propanediol butyl ether 2.99
    triethyl orthoformate 2.65
    p-tert-butyltoluene 0.39
    methyl 4-tert-butylbenzoate 4.11
    morpholine 5.26
    tert-butylamine 0.36
    n-dodecanol 0.42
    dimethoxymethane 6.57
    ethylene carbonate 2.29
    cyrene 8.76
    2-ethoxyethyl acetate 3.52
    2-ethylhexyl acetate 1.76
    1,2,4-trichlorobenzene 1.15
    4-methylpyridine 1.7
    dibutyl ether 0.95
    2,6-dimethyl-4-heptanol 0.74
    DEF 3.87
    dimethyl isosorbide 15.49
    tetrachloroethylene 1.4
    eugenol 4.31
    triacetin 4.22
    span 80 3.85
    1,4-butanediol 0.7
    1,1-dichloroethane 0.42
    2-methyl-1-pentanol 1.01
    methyl formate 2.03
    2-methyl-1-butanol 0.81
    n-decane 0.04
    butyronitrile 0.65
    3,7-dimethyl-1-octanol 0.75
    1-chlorooctane 0.26
    1-chlorotetradecane 0.14
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.03
    cyclooctane 0.01
    cyclopentanol 1.64
    tetrahydropyran 1.31
    tert-amyl methyl ether 1.06
    2,5,8-trioxanonane 12.89
    1-hexene 0.08
    2-isopropoxyethanol 3.37
    2,2,2-trifluoroethanol 1.62
    methyl butyrate 2.35

    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

Botanical

Name CAS Botanical Proportion
Sage, spanish 2 8016-65-7 Salvia lavandulaefolia Vahl., fam. Lamiaceae (Labiatae) 0.3%