Ermanin

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  • Identifiers

    CAS number
    20869-95-8

    Molecular formula
    C17H14O6

    SMILES
    COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 58.25%
    Sweet 41.37%
    Vanilla 37.81%
    Fruity 33.5%
    Burnt 32.91%
    Spicy 32.77%
    Odorless 30.96%
    Smoky 30.85%
    Medicinal 27.97%
    Balsamic 27.61%

     

    Flavor
    Bitter 89.81%
    Parsley 21.34%
    Eugenol 20.41%
    Odorless 20.21%
    Bland 20.2%
    Cedarleaf 20.17%
    Lovage 20.06%
    Sweet-like 19.98%
    Ethyl benzoate 19.48%
    Ripe apricot 19.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    9.1 (weak base)

    Molecular weight
    314.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    788°C

    Flash point

    • 209.97 ˚C est.

  • Synonyms

    • Ermanin
    • 20869-95-8
    • 5,7-Dihydroxy-3,4'-dimethoxyflavone
    • 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one
    • Kaempferol 3,4'-di-O-methyl ether
    • NSC-31882
    • 850D90YJN3
    • 5,7-Dihydroxy-3-methoxy-2-(4-methoxyphenyl)-4-benzopyrone
    • DTXSID90174986
    • RefChem:921126
    • DTXCID8097477
    • 5,6-dihydroxy-3,4'-dimethoxyflavone
    • 244-093-8
    • 5,7-Dihydroxy-3-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one
    • 3,4'-Dimethoxychrysin
    • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)-
    • Kaempferol-3,4'-dimethylether
    • Kaempferol-3,4'-dimethyl ether
    • 3,4'-dimethylkaempferol
    • NSC31882
    • CHEMBL309061
    • Kaempferol 3,4'-dimethyl ether
    • 5,7-Dihydroxy-3-methoxy-2-(4-methoxy-phenyl)-chromen-4-one
    • 3,4'-dimethoxy-5,7-dihydroxyflavone
    • 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
    • 3,4'-O-dimethylkaempferol
    • Chrysin,4'-dimethoxy-
    • 3,4'-dimethoxykaempferol
    • Chrysin, 3,4'-dimethoxy-
    • UNII-850D90YJN3
    • MEGxp0_000250
    • orb1684618
    • SCHEMBL2875089
    • CHEBI:146142
    • HY-N3848
    • EINECS 244-093-8
    • BDBM50240619
    • LMPK12112697
    • MFCD00017440
    • NSC 31882
    • kaempferol-3,4''-di-O-methyl ether
    • AKOS015963884
    • EBC-516075
    • FK66303
    • FS-9547
    • 5,7-dihydroxy-3,4''-dimethoxyflavone
    • NCI60_002742
    • DB-045411
    • CS-0024327
    • NS00026755
    • G85790
    • Q3056707
    • 5,7-Dihydroxy-3-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one #
    • 20869-95-8

  • Applications

    Ermanin, CAS 20869-95-8, is primarily used in fragrance applications: as an odorant in perfumes and cosmetic products, and can function as a fixative component in personal care and household items. It is also considered as an intermediate in the synthesis of fragrance compounds, and may act as a solvent or processing aid in certain industrial manufacturing processes. Additionally, it may be evaluated for fragrance systems in the industrial chemical sector and, at appropriate concentrations, could appear as an additive for plastics or coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.41
    methanol 0.43
    isopropanol 0.51
    water 0.0
    ethyl acetate 1.34
    n-propanol 0.79
    acetone 2.73
    n-butanol 0.75
    acetonitrile 1.13
    DMF 18.2
    toluene 0.21
    isobutanol 0.79
    1,4-dioxane 3.57
    methyl acetate 2.24
    THF 22.13
    2-butanone 4.31
    n-pentanol 0.97
    sec-butanol 0.92
    n-hexane 0.02
    ethylene glycol 0.82
    NMP 29.31
    cyclohexane 0.02
    DMSO 122.17
    n-butyl acetate 2.1
    n-octanol 0.84
    chloroform 0.74
    n-propyl acetate 2.16
    acetic acid 3.32
    dichloromethane 1.36
    cyclohexanone 7.94
    propylene glycol 1.36
    isopropyl acetate 1.16
    DMAc 32.93
    2-ethoxyethanol 6.69
    isopentanol 1.13
    n-heptane 0.03
    ethyl formate 1.39
    1,2-dichloroethane 1.81
    n-hexanol 0.86
    2-methoxyethanol 12.21
    isobutyl acetate 1.53
    tetrachloromethane 0.07
    n-pentyl acetate 1.68
    transcutol 29.62
    n-heptanol 0.89
    ethylbenzene 0.2
    MIBK 1.84
    2-propoxyethanol 8.58
    tert-butanol 1.31
    MTBE 0.75
    2-butoxyethanol 4.87
    propionic acid 2.07
    o-xylene 0.26
    formic acid 1.62
    diethyl ether 0.46
    m-xylene 0.2
    p-xylene 0.33
    chlorobenzene 0.43
    dimethyl carbonate 2.31
    n-octane 0.02
    formamide 4.22
    cyclopentanone 15.17
    2-pentanone 2.18
    anisole 1.21
    cyclopentyl methyl ether 2.72
    gamma-butyrolactone 17.47
    1-methoxy-2-propanol 9.06
    pyridine 3.75
    3-pentanone 1.92
    furfural 14.23
    n-dodecane 0.03
    diethylene glycol 10.32
    diisopropyl ether 0.17
    tert-amyl alcohol 1.46
    acetylacetone 4.84
    n-hexadecane 0.04
    acetophenone 2.76
    methyl propionate 2.56
    isopentyl acetate 2.52
    trichloroethylene 3.93
    n-nonanol 1.01
    cyclohexanol 1.4
    benzyl alcohol 2.11
    2-ethylhexanol 0.95
    isooctanol 1.0
    dipropyl ether 0.97
    1,2-dichlorobenzene 0.67
    ethyl lactate 2.83
    propylene carbonate 4.96
    n-methylformamide 4.15
    2-pentanol 0.53
    n-pentane 0.01
    1-propoxy-2-propanol 5.81
    1-methoxy-2-propyl acetate 5.11
    2-(2-methoxypropoxy) propanol 8.79
    mesitylene 0.14
    ε-caprolactone 6.93
    p-cymene 0.42
    epichlorohydrin 20.97
    1,1,1-trichloroethane 0.54
    2-aminoethanol 1.4
    morpholine-4-carbaldehyde 21.51
    sulfolane 52.23
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 5.05
    n-hexyl acetate 2.39
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 9.86
    sec-butyl acetate 1.34
    tert-butyl acetate 2.15
    decalin 0.04
    glycerin 6.38
    diglyme 20.55
    acrylic acid 3.14
    isopropyl myristate 1.12
    n-butyric acid 2.11
    acetyl acetate 1.16
    di(2-ethylhexyl) phthalate 2.08
    ethyl propionate 1.86
    nitromethane 11.57
    1,2-diethoxyethane 3.75
    benzonitrile 1.78
    trioctyl phosphate 1.34
    1-bromopropane 0.52
    gamma-valerolactone 25.74
    n-decanol 0.77
    triethyl phosphate 2.18
    4-methyl-2-pentanol 0.54
    propionitrile 1.39
    vinylene carbonate 3.88
    1,1,2-trichlorotrifluoroethane 21.37
    DMS 3.47
    cumene 0.21
    2-octanol 0.6
    2-hexanone 3.06
    octyl acetate 1.48
    limonene 0.59
    1,2-dimethoxyethane 12.55
    ethyl orthosilicate 1.88
    tributyl phosphate 1.82
    diacetone alcohol 6.65
    N,N-dimethylaniline 1.28
    acrylonitrile 3.0
    aniline 1.15
    1,3-propanediol 2.63
    bromobenzene 0.31
    dibromomethane 0.61
    1,1,2,2-tetrachloroethane 3.35
    2-methyl-cyclohexyl acetate 2.65
    tetrabutyl urea 3.27
    diisobutyl methanol 0.74
    2-phenylethanol 2.31
    styrene 0.2
    dioctyl adipate 2.72
    dimethyl sulfate 9.41
    ethyl butyrate 2.06
    methyl lactate 4.53
    butyl lactate 3.14
    diethyl carbonate 1.58
    propanediol butyl ether 4.49
    triethyl orthoformate 2.31
    p-tert-butyltoluene 0.38
    methyl 4-tert-butylbenzoate 4.38
    morpholine 7.5
    tert-butylamine 0.39
    n-dodecanol 0.6
    dimethoxymethane 7.62
    ethylene carbonate 2.69
    cyrene 10.61
    2-ethoxyethyl acetate 4.09
    2-ethylhexyl acetate 1.92
    1,2,4-trichlorobenzene 1.27
    4-methylpyridine 2.56
    dibutyl ether 1.08
    2,6-dimethyl-4-heptanol 0.74
    DEF 4.71
    dimethyl isosorbide 16.3
    tetrachloroethylene 1.48
    eugenol 5.03
    triacetin 4.53
    span 80 5.34
    1,4-butanediol 0.99
    1,1-dichloroethane 0.53
    2-methyl-1-pentanol 1.44
    methyl formate 3.15
    2-methyl-1-butanol 1.09
    n-decane 0.05
    butyronitrile 1.1
    3,7-dimethyl-1-octanol 1.05
    1-chlorooctane 0.34
    1-chlorotetradecane 0.17
    n-nonane 0.03
    undecane 0.04
    tert-butylcyclohexane 0.03
    cyclooctane 0.01
    cyclopentanol 2.21
    tetrahydropyran 2.02
    tert-amyl methyl ether 1.02
    2,5,8-trioxanonane 15.24
    1-hexene 0.12
    2-isopropoxyethanol 4.45
    2,2,2-trifluoroethanol 1.58
    methyl butyrate 2.98

    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