Trigraecum

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  • Identifiers

    CAS number
    38070-97-2

    Molecular formula
    C16H12O4

    SMILES
    COC1=C(C=C2C(=C1)C(=O)C=C(O2)C3=CC=CC=C3)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 54.48%
    Sweet 50.83%
    Vanilla 45.1%
    Spicy 37.57%
    Balsamic 36.8%
    Fruity 35.59%
    Burnt 35.16%
    Powdery 33.95%
    Smoky 29.84%
    Creamy 29.63%

     

    Flavor
    Bitter 89.78%
    Sweet 28.15%
    Tonka 21.47%
    Balsam 20.86%
    Curry 19.91%
    Naphthalic 19.85%
    Lovage 19.8%
    Parsley 19.73%
    Vanilla 19.68%
    Eugenol 19.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.87 (neutral)

    Molecular weight
    268.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    506°C

    Melting point expt.

    • 246 - 247 °C

    Flash point

    • 183.66 ˚C est.

  • Synonyms

    • Trigraecum
    • 7-Hydroxy-6-methoxyflavone
    • 38070-97-2
    • 7-hydroxy-6-methoxyflavon
    • orb2943025
    • SCHEMBL13730323
    • CHEBI:174529
    • DTXSID901230362
    • LMPK12110062
    • 7-hydroxy-6-methoxy-2-phenylchromen-4-one
    • 7-Hydroxy-6-methoxy-2-phenyl-4H-1-benzopyran-4-one
    • 38070-97-2

  • Applications

    Trigraecum (CAS 38070-97-2) is a chemical evaluated for a range of industrial applications; depending on its properties, it may be used as an organic synthesis intermediate, a solvent in formulations, a stabilizer for polymer and plastic systems, and as an odorant or metal-chelating agent in fragrance and personal care products. It can also serve as an additive in cleaning formulations and as a processing aid in coatings and inks, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.24
    methanol 1.04
    isopropanol 1.12
    water 0.0
    ethyl acetate 3.3
    n-propanol 1.6
    acetone 3.98
    n-butanol 1.31
    acetonitrile 2.29
    DMF 22.45
    toluene 1.11
    isobutanol 1.31
    1,4-dioxane 12.76
    methyl acetate 6.17
    THF 47.56
    2-butanone 6.14
    n-pentanol 1.31
    sec-butanol 1.59
    n-hexane 0.01
    ethylene glycol 2.03
    NMP 15.99
    cyclohexane 0.02
    DMSO 52.88
    n-butyl acetate 2.93
    n-octanol 0.76
    chloroform 1.99
    n-propyl acetate 3.73
    acetic acid 6.81
    dichloromethane 5.81
    cyclohexanone 8.93
    propylene glycol 1.84
    isopropyl acetate 3.27
    DMAc 41.5
    2-ethoxyethanol 9.06
    isopentanol 1.97
    n-heptane 0.05
    ethyl formate 2.14
    1,2-dichloroethane 7.0
    n-hexanol 1.2
    2-methoxyethanol 17.72
    isobutyl acetate 2.86
    tetrachloromethane 0.11
    n-pentyl acetate 2.51
    transcutol 78.58
    n-heptanol 1.13
    ethylbenzene 0.84
    MIBK 3.54
    2-propoxyethanol 10.51
    tert-butanol 2.58
    MTBE 2.29
    2-butoxyethanol 6.32
    propionic acid 3.49
    o-xylene 0.98
    formic acid 3.8
    diethyl ether 1.57
    m-xylene 0.77
    p-xylene 1.2
    chlorobenzene 1.67
    dimethyl carbonate 6.01
    n-octane 0.03
    formamide 12.39
    cyclopentanone 17.78
    2-pentanone 3.04
    anisole 5.31
    cyclopentyl methyl ether 6.44
    gamma-butyrolactone 24.12
    1-methoxy-2-propanol 10.99
    pyridine 14.77
    3-pentanone 3.1
    furfural 24.13
    n-dodecane 0.06
    diethylene glycol 13.39
    diisopropyl ether 0.66
    tert-amyl alcohol 2.56
    acetylacetone 9.68
    n-hexadecane 0.08
    acetophenone 6.66
    methyl propionate 4.85
    isopentyl acetate 4.38
    trichloroethylene 16.17
    n-nonanol 1.08
    cyclohexanol 2.1
    benzyl alcohol 4.86
    2-ethylhexanol 1.49
    isooctanol 1.38
    dipropyl ether 2.87
    1,2-dichlorobenzene 2.24
    ethyl lactate 3.67
    propylene carbonate 6.72
    n-methylformamide 6.22
    2-pentanol 1.03
    n-pentane 0.01
    1-propoxy-2-propanol 6.98
    1-methoxy-2-propyl acetate 10.2
    2-(2-methoxypropoxy) propanol 13.02
    mesitylene 0.52
    ε-caprolactone 9.24
    p-cymene 1.2
    epichlorohydrin 46.35
    1,1,1-trichloroethane 1.42
    2-aminoethanol 2.74
    morpholine-4-carbaldehyde 33.18
    sulfolane 37.14
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 10.25
    n-hexyl acetate 3.02
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 15.51
    sec-butyl acetate 3.29
    tert-butyl acetate 6.01
    decalin 0.08
    glycerin 7.79
    diglyme 41.4
    acrylic acid 5.43
    isopropyl myristate 2.06
    n-butyric acid 3.25
    acetyl acetate 3.86
    di(2-ethylhexyl) phthalate 3.01
    ethyl propionate 3.97
    nitromethane 20.23
    1,2-diethoxyethane 11.84
    benzonitrile 3.97
    trioctyl phosphate 1.61
    1-bromopropane 1.13
    gamma-valerolactone 32.03
    n-decanol 0.93
    triethyl phosphate 4.32
    4-methyl-2-pentanol 1.17
    propionitrile 2.5
    vinylene carbonate 6.72
    1,1,2-trichlorotrifluoroethane 22.54
    DMS 7.92
    cumene 0.76
    2-octanol 0.67
    2-hexanone 3.68
    octyl acetate 2.15
    limonene 1.33
    1,2-dimethoxyethane 23.37
    ethyl orthosilicate 4.06
    tributyl phosphate 2.35
    diacetone alcohol 10.46
    N,N-dimethylaniline 4.04
    acrylonitrile 5.57
    aniline 3.97
    1,3-propanediol 4.97
    bromobenzene 1.45
    dibromomethane 1.52
    1,1,2,2-tetrachloroethane 9.44
    2-methyl-cyclohexyl acetate 4.96
    tetrabutyl urea 3.61
    diisobutyl methanol 1.69
    2-phenylethanol 4.66
    styrene 1.02
    dioctyl adipate 4.62
    dimethyl sulfate 15.64
    ethyl butyrate 4.05
    methyl lactate 5.64
    butyl lactate 3.44
    diethyl carbonate 3.84
    propanediol butyl ether 5.0
    triethyl orthoformate 5.1
    p-tert-butyltoluene 1.11
    methyl 4-tert-butylbenzoate 7.93
    morpholine 18.53
    tert-butylamine 0.88
    n-dodecanol 0.78
    dimethoxymethane 17.07
    ethylene carbonate 4.57
    cyrene 12.35
    2-ethoxyethyl acetate 7.82
    2-ethylhexyl acetate 3.1
    1,2,4-trichlorobenzene 4.21
    4-methylpyridine 7.49
    dibutyl ether 2.41
    2,6-dimethyl-4-heptanol 1.69
    DEF 6.84
    dimethyl isosorbide 27.54
    tetrachloroethylene 4.29
    eugenol 8.39
    triacetin 8.69
    span 80 6.98
    1,4-butanediol 1.59
    1,1-dichloroethane 1.36
    2-methyl-1-pentanol 2.26
    methyl formate 5.79
    2-methyl-1-butanol 1.82
    n-decane 0.08
    butyronitrile 1.6
    3,7-dimethyl-1-octanol 1.54
    1-chlorooctane 0.51
    1-chlorotetradecane 0.33
    n-nonane 0.05
    undecane 0.07
    tert-butylcyclohexane 0.08
    cyclooctane 0.01
    cyclopentanol 2.7
    tetrahydropyran 5.78
    tert-amyl methyl ether 2.59
    2,5,8-trioxanonane 29.84
    1-hexene 0.13
    2-isopropoxyethanol 6.75
    2,2,2-trifluoroethanol 3.11
    methyl butyrate 4.34

    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