Bisnoryangonin

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  • Identifiers

    CAS number
    13709-27-8

    Molecular formula
    C13H10O4

    SMILES
    C1=CC(=CC=C1/C=C/C2=CC(=CC(=O)O2)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 45.33%
    Spicy 36.61%
    Balsamic 34.21%
    Odorless 33.75%
    Sweet 32.98%
    Nutty 31.32%
    Burnt 28.65%
    Vanilla 28.1%
    Fruity 27.33%
    Coconut 26.08%

     

    Flavor
    Bitter 76.03%
    Odorless 22.94%
    Mild 22.29%
    Nitrile 21.55%
    Almond shell 20.93%
    Curry 20.73%
    Urine 20.38%
    Lovage 20.23%
    Very strong 20.12%
    Red hots 19.93%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    9.22 (weak base)

    Molecular weight
    230.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    650°C

    Flash point

    • 204.65 ˚C est.

  • Synonyms

    • Bisnoryangonin
    • 4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]pyran-2-one
    • DTXSID301038265
    • 4-Hydroxy-6-(4-hydroxystyryl)-2-pyrone
    • 4-hydroxy-6-((E)-2-(4-hydroxyphenyl)ethenyl)pyran-2-one
    • 4-hydroxy-6-((E)-2-(4-hydroxyphenyl)vinyl)pyran-2-one
    • 4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)vinyl]pyran-2-one
    • RefChem:523894
    • DTXCID701522282
    • Bis-noryangonin
    • 13709-27-8
    • YANGONIN, BIS-NOR-
    • NSC212501
    • AC1NQZFH
    • 4-Hydroxy-6-[(1E)-2-(4-hydroxyphenyl)ethenyl]-2H-pyran-2-one
    • CHEMBL4066356
    • SCHEMBL13660630
    • CHEBI:29547
    • 4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2H-pyran-2-one
    • EBC-355103
    • NSC-212501
    • EN300-28226426
    • (E)-4-Hydroxy-6-(4-hydroxystyryl)-2H-pyran-2-one
    • (e)-6-(4-hydroxystyryl)-4-hydroxy-2h-pyran-2-one
    • Q27110139
    • Z2740389838
    • 133362-78-4
    • 13709-27-8

  • Applications

    Bisnoryangonin (CAS 13709-27-8) là một neolignan được tìm thấy ở một số nguồn thực vật và thường được xem như tiền chất trong tổng hợp hữu cơ. Trong công nghiệp, các ứng dụng thực tế được xem xét chủ yếu liên quan tới hương liệu và mỹ phẩm, với vai trò có thể là: thành phần mùi/odorant trong perfumery; thành phần hương hoặc chất bổ sung cho mỹ phẩm và chăm sóc cá nhân; tiền chất cho tổng hợp các hợp chất neolignan liên quan; chất chống oxy hóa tiềm năng để cải thiện độ ổn định của hệ nhựa, cao su hoặc lớp phủ; và phụ gia chức năng cho coatings/inks hoặc sản phẩm làm sạch ở nồng độ phù hợp, tùy thuộc quy định địa phương và giới hạn công thức.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 41.86
    methanol 81.24
    isopropanol 37.93
    water 0.07
    ethyl acetate 23.35
    n-propanol 35.49
    acetone 200.9
    n-butanol 25.22
    acetonitrile 47.39
    DMF 174.69
    toluene 1.15
    isobutanol 21.29
    1,4-dioxane 74.11
    methyl acetate 51.77
    THF 411.41
    2-butanone 94.78
    n-pentanol 18.07
    sec-butanol 28.07
    n-hexane 0.03
    ethylene glycol 60.23
    NMP 60.48
    cyclohexane 0.02
    DMSO 1494.44
    n-butyl acetate 17.01
    n-octanol 5.57
    chloroform 0.25
    n-propyl acetate 19.92
    acetic acid 48.43
    dichloromethane 0.11
    cyclohexanone 35.32
    propylene glycol 134.48
    isopropyl acetate 21.25
    DMAc 294.47
    2-ethoxyethanol 136.37
    isopentanol 27.41
    n-heptane 0.09
    ethyl formate 21.18
    1,2-dichloroethane 0.99
    n-hexanol 9.56
    2-methoxyethanol 326.56
    isobutyl acetate 13.05
    tetrachloromethane 0.14
    n-pentyl acetate 7.32
    transcutol 359.34
    n-heptanol 5.49
    ethylbenzene 0.99
    MIBK 31.89
    2-propoxyethanol 99.8
    tert-butanol 71.53
    MTBE 27.65
    2-butoxyethanol 34.92
    propionic acid 35.04
    o-xylene 1.45
    formic acid 34.07
    diethyl ether 9.17
    m-xylene 1.42
    p-xylene 1.35
    chlorobenzene 1.03
    dimethyl carbonate 31.85
    n-octane 0.04
    formamide 107.09
    cyclopentanone 97.67
    2-pentanone 39.49
    anisole 18.61
    cyclopentyl methyl ether 21.89
    gamma-butyrolactone 96.44
    1-methoxy-2-propanol 219.89
    pyridine 14.24
    3-pentanone 19.9
    furfural 59.82
    n-dodecane 0.17
    diethylene glycol 140.99
    diisopropyl ether 3.28
    tert-amyl alcohol 47.09
    acetylacetone 85.98
    n-hexadecane 0.19
    acetophenone 18.7
    methyl propionate 32.94
    isopentyl acetate 21.22
    trichloroethylene 2.62
    n-nonanol 6.24
    cyclohexanol 10.79
    benzyl alcohol 17.08
    2-ethylhexanol 7.04
    isooctanol 5.91
    dipropyl ether 9.38
    1,2-dichlorobenzene 1.61
    ethyl lactate 33.84
    propylene carbonate 32.91
    n-methylformamide 84.89
    2-pentanol 13.21
    n-pentane 0.03
    1-propoxy-2-propanol 66.52
    1-methoxy-2-propyl acetate 56.31
    2-(2-methoxypropoxy) propanol 73.59
    mesitylene 1.26
    ε-caprolactone 31.65
    p-cymene 2.42
    epichlorohydrin 90.72
    1,1,1-trichloroethane 1.42
    2-aminoethanol 97.29
    morpholine-4-carbaldehyde 120.62
    sulfolane 173.25
    2,2,4-trimethylpentane 0.19
    2-methyltetrahydrofuran 59.89
    n-hexyl acetate 13.04
    isooctane 0.17
    2-(2-butoxyethoxy)ethanol 90.8
    sec-butyl acetate 16.31
    tert-butyl acetate 37.88
    decalin 0.12
    glycerin 186.99
    diglyme 160.52
    acrylic acid 33.99
    isopropyl myristate 8.97
    n-butyric acid 31.13
    acetyl acetate 18.08
    di(2-ethylhexyl) phthalate 12.05
    ethyl propionate 20.36
    nitromethane 177.77
    1,2-diethoxyethane 48.98
    benzonitrile 9.74
    trioctyl phosphate 7.32
    1-bromopropane 0.47
    gamma-valerolactone 130.33
    n-decanol 5.27
    triethyl phosphate 16.3
    4-methyl-2-pentanol 12.0
    propionitrile 24.56
    vinylene carbonate 20.27
    1,1,2-trichlorotrifluoroethane 69.33
    DMS 23.29
    cumene 1.37
    2-octanol 3.19
    2-hexanone 26.77
    octyl acetate 10.2
    limonene 2.86
    1,2-dimethoxyethane 167.25
    ethyl orthosilicate 13.82
    tributyl phosphate 10.64
    diacetone alcohol 96.91
    N,N-dimethylaniline 11.8
    acrylonitrile 34.26
    aniline 7.78
    1,3-propanediol 109.34
    bromobenzene 0.57
    dibromomethane 0.11
    1,1,2,2-tetrachloroethane 3.84
    2-methyl-cyclohexyl acetate 18.37
    tetrabutyl urea 17.02
    diisobutyl methanol 8.18
    2-phenylethanol 15.35
    styrene 1.15
    dioctyl adipate 19.37
    dimethyl sulfate 63.64
    ethyl butyrate 18.68
    methyl lactate 68.89
    butyl lactate 18.42
    diethyl carbonate 17.43
    propanediol butyl ether 45.83
    triethyl orthoformate 20.17
    p-tert-butyltoluene 2.52
    methyl 4-tert-butylbenzoate 27.0
    morpholine 114.17
    tert-butylamine 13.68
    n-dodecanol 4.31
    dimethoxymethane 142.53
    ethylene carbonate 17.99
    cyrene 53.8
    2-ethoxyethyl acetate 22.96
    2-ethylhexyl acetate 12.8
    1,2,4-trichlorobenzene 3.25
    4-methylpyridine 12.71
    dibutyl ether 8.77
    2,6-dimethyl-4-heptanol 8.18
    DEF 34.45
    dimethyl isosorbide 107.73
    tetrachloroethylene 1.52
    eugenol 32.29
    triacetin 31.12
    span 80 35.03
    1,4-butanediol 33.63
    1,1-dichloroethane 0.72
    2-methyl-1-pentanol 18.91
    methyl formate 54.57
    2-methyl-1-butanol 22.99
    n-decane 0.17
    butyronitrile 17.54
    3,7-dimethyl-1-octanol 9.67
    1-chlorooctane 1.22
    1-chlorotetradecane 0.88
    n-nonane 0.11
    undecane 0.17
    tert-butylcyclohexane 0.19
    cyclooctane 0.02
    cyclopentanol 20.51
    tetrahydropyran 20.97
    tert-amyl methyl ether 21.16
    2,5,8-trioxanonane 131.36
    1-hexene 0.26
    2-isopropoxyethanol 69.4
    2,2,2-trifluoroethanol 13.67
    methyl butyrate 26.04

    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