Tectochrysin

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  • Identifiers

    CAS number
    520-28-5

    Molecular formula
    C16H12O4

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 48.75%
    Sweet 43.85%
    Fruity 34.54%
    Balsamic 30.71%
    Vanilla 28.59%
    Powdery 28.36%
    Odorless 28.18%
    Spicy 27.59%
    Burnt 27.38%
    Animal 27.27%

     

    Flavor
    Bitter 89.06%
    Lovage 20.43%
    Cedarleaf 20.17%
    Very strong 20.12%
    Parsley 20.0%
    Indole 19.97%
    Nitrile 19.57%
    Ethyl benzoate 19.51%
    Ripe apricot 19.48%
    Tarragon 19.42%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.4 (weak base)

    Molecular weight
    268.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    513°C

    Flash point

    • 179.19 ˚C est.

  • Synonyms

    • Tectochrysin
    • 520-28-5
    • 5-Hydroxy-7-methoxyflavone
    • Techtochrysin
    • 7-Methoxy-5-hydroxyflavone
    • 5-hydroxy-7-methoxy-2-phenylchromen-4-one
    • Flavone, 5-hydroxy-7-methoxy-
    • 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2-phenyl-
    • 9UBO28W2AK
    • NSC-80687
    • 5-hydroxy-7-methoxy-2-phenyl-4H-1-benzopyran-4-one
    • CHEBI:9426
    • DTXSID40199962
    • RefChem:187693
    • DTXCID00122453
    • 5-Hydroxy-7-methoxy-2-phenyl-4H-chromen-4-one
    • Methyl chrysin
    • 7-O-METHYLCHRYSIN
    • MFCD00016945
    • Techtochrysin;NSC 80687
    • 5-Hydroxy-7-methoxy-2-phenyl-chromen-4-one
    • Techtochrysine
    • Tecto-chrysin
    • SMR000387029
    • 5-Hydroxy-7-methylflavone; 7-O-Methylchrysin; Tectochrysine
    • 7-methoxycrysin
    • NSC 80687
    • Chrysin 7-methylether
    • chrysin-7-methyl ether
    • Tectochrysin (Standard)
    • Maybridge3_003219
    • UNII-9UBO28W2AK
    • Oprea1_023530
    • Oprea1_215176
    • MLS000697658
    • MLS001049041
    • SCHEMBL249043
    • CHEMBL164841
    • orb1303377
    • SCHEMBL29494561
    • WLZ4716
    • HMS1440C07
    • HMS2267G17
    • NSC80687
    • TNP00038
    • BDBM50423793
    • CCG-43780
    • HY-14592R
    • LMPK12110190
    • s3256
    • STK078936
    • AKOS000522399
    • EBC-466056
    • FT66186
    • IDI1_014606
    • NCGC00017176-01
    • NCGC00017176-02
    • NCGC00017176-03
    • NCGC00142540-01
    • AC-35028
    • BS-48960
    • HY-14592
    • ST057541
    • DB-052063
    • CS-0003465
    • 2-PHENYL-5-HYDROXY-7-METHOXYCHROMONE
    • VU0254572-3
    • AB00637079-07
    • SR-01000402578
    • 5-Hydroxy-7-methoxy-2-phenyl-4H-chromen-4-one #
    • Q3516969
    • SR-01000402578-1
    • SR-01000402578-2
    • F3097-0487
    • 520-28-5

  • Applications

    Tectochrysin (CAS 520-28-5) is primarily used as an intermediate in the synthesis of flavonoid derivatives for pharmaceutical research, serving as a starting point for the preparation of complex flavonoids. In cosmetics and personal care, it is evaluated as a potential antioxidant and may be incorporated as an ingredient in formulations designed for skin protection. In the agricultural/bioproduct sector, tectochrysin can be explored as a starting material for the synthesis of biologically active plant-derived compounds with potential applications in agrochemicals or botanicals. In industrial synthesis, it is commonly used as a building block to develop other flavonoids and related organic compounds. It may also serve as a reference or analytical standard in flavonoid chemistry and related research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.35
    methanol 1.73
    isopropanol 1.6
    water 0.0
    ethyl acetate 5.22
    n-propanol 2.1
    acetone 15.01
    n-butanol 1.76
    acetonitrile 5.74
    DMF 66.16
    toluene 1.73
    isobutanol 1.82
    1,4-dioxane 18.01
    methyl acetate 10.03
    THF 94.93
    2-butanone 14.28
    n-pentanol 1.51
    sec-butanol 1.72
    n-hexane 0.01
    ethylene glycol 3.78
    NMP 74.43
    cyclohexane 0.04
    DMSO 358.7
    n-butyl acetate 5.92
    n-octanol 0.74
    chloroform 10.17
    n-propyl acetate 5.51
    acetic acid 10.83
    dichloromethane 14.44
    cyclohexanone 21.29
    propylene glycol 4.79
    isopropyl acetate 4.67
    DMAc 91.41
    2-ethoxyethanol 12.9
    isopentanol 2.52
    n-heptane 0.03
    ethyl formate 4.49
    1,2-dichloroethane 15.3
    n-hexanol 1.33
    2-methoxyethanol 32.57
    isobutyl acetate 4.28
    tetrachloromethane 0.36
    n-pentyl acetate 2.95
    transcutol 95.21
    n-heptanol 0.97
    ethylbenzene 0.82
    MIBK 5.78
    2-propoxyethanol 16.46
    tert-butanol 2.96
    MTBE 2.36
    2-butoxyethanol 7.17
    propionic acid 6.3
    o-xylene 1.09
    formic acid 4.66
    diethyl ether 1.5
    m-xylene 1.04
    p-xylene 1.25
    chlorobenzene 3.99
    dimethyl carbonate 9.57
    n-octane 0.01
    formamide 12.53
    cyclopentanone 55.34
    2-pentanone 7.1
    anisole 6.44
    cyclopentyl methyl ether 10.41
    gamma-butyrolactone 60.22
    1-methoxy-2-propanol 20.41
    pyridine 19.6
    3-pentanone 5.45
    furfural 47.61
    n-dodecane 0.04
    diethylene glycol 22.98
    diisopropyl ether 0.56
    tert-amyl alcohol 2.51
    acetylacetone 22.98
    n-hexadecane 0.05
    acetophenone 9.37
    methyl propionate 8.28
    isopentyl acetate 7.04
    trichloroethylene 42.28
    n-nonanol 0.88
    cyclohexanol 2.88
    benzyl alcohol 6.44
    2-ethylhexanol 1.53
    isooctanol 1.12
    dipropyl ether 2.22
    1,2-dichlorobenzene 4.37
    ethyl lactate 6.82
    propylene carbonate 18.87
    n-methylformamide 14.67
    2-pentanol 1.01
    n-pentane 0.01
    1-propoxy-2-propanol 11.42
    1-methoxy-2-propyl acetate 18.42
    2-(2-methoxypropoxy) propanol 18.09
    mesitylene 0.56
    ε-caprolactone 18.77
    p-cymene 1.11
    epichlorohydrin 99.2
    1,1,1-trichloroethane 5.39
    2-aminoethanol 4.97
    morpholine-4-carbaldehyde 61.82
    sulfolane 142.72
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 20.37
    n-hexyl acetate 3.9
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 18.93
    sec-butyl acetate 4.11
    tert-butyl acetate 7.42
    decalin 0.09
    glycerin 18.19
    diglyme 51.77
    acrylic acid 9.95
    isopropyl myristate 2.14
    n-butyric acid 5.94
    acetyl acetate 5.96
    di(2-ethylhexyl) phthalate 3.96
    ethyl propionate 5.17
    nitromethane 45.81
    1,2-diethoxyethane 11.36
    benzonitrile 6.84
    trioctyl phosphate 2.02
    1-bromopropane 2.26
    gamma-valerolactone 73.52
    n-decanol 0.73
    triethyl phosphate 5.53
    4-methyl-2-pentanol 1.21
    propionitrile 3.75
    vinylene carbonate 14.56
    1,1,2-trichlorotrifluoroethane 60.27
    DMS 11.97
    cumene 0.73
    2-octanol 0.55
    2-hexanone 6.32
    octyl acetate 2.54
    limonene 1.48
    1,2-dimethoxyethane 28.41
    ethyl orthosilicate 4.48
    tributyl phosphate 3.57
    diacetone alcohol 16.44
    N,N-dimethylaniline 4.42
    acrylonitrile 9.11
    aniline 6.35
    1,3-propanediol 7.83
    bromobenzene 3.47
    dibromomethane 5.12
    1,1,2,2-tetrachloroethane 28.13
    2-methyl-cyclohexyl acetate 6.87
    tetrabutyl urea 5.53
    diisobutyl methanol 1.48
    2-phenylethanol 6.24
    styrene 1.22
    dioctyl adipate 5.89
    dimethyl sulfate 35.33
    ethyl butyrate 5.77
    methyl lactate 14.51
    butyl lactate 5.61
    diethyl carbonate 5.07
    propanediol butyl ether 7.18
    triethyl orthoformate 6.0
    p-tert-butyltoluene 1.02
    methyl 4-tert-butylbenzoate 9.28
    morpholine 29.83
    tert-butylamine 0.95
    n-dodecanol 0.61
    dimethoxymethane 24.83
    ethylene carbonate 9.97
    cyrene 19.94
    2-ethoxyethyl acetate 9.71
    2-ethylhexyl acetate 5.11
    1,2,4-trichlorobenzene 8.37
    4-methylpyridine 14.15
    dibutyl ether 1.83
    2,6-dimethyl-4-heptanol 1.48
    DEF 12.2
    dimethyl isosorbide 40.76
    tetrachloroethylene 9.31
    eugenol 10.01
    triacetin 11.04
    span 80 8.84
    1,4-butanediol 2.35
    1,1-dichloroethane 4.97
    2-methyl-1-pentanol 2.28
    methyl formate 12.51
    2-methyl-1-butanol 2.13
    n-decane 0.05
    butyronitrile 3.17
    3,7-dimethyl-1-octanol 1.44
    1-chlorooctane 0.46
    1-chlorotetradecane 0.26
    n-nonane 0.03
    undecane 0.04
    tert-butylcyclohexane 0.08
    cyclooctane 0.01
    cyclopentanol 5.39
    tetrahydropyran 8.79
    tert-amyl methyl ether 2.64
    2,5,8-trioxanonane 37.82
    1-hexene 0.16
    2-isopropoxyethanol 7.92
    2,2,2-trifluoroethanol 5.21
    methyl butyrate 7.34

    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