Fraxin

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  • Identifiers

    CAS number
    524-30-1

    Molecular formula
    C16H18O10

    SMILES
    COC1=C(C(=C2C(=C1)C=CC(=O)O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 71.76%
    Vanilla 36.96%
    Milky 26.96%
    Sweet 25.47%
    Caramellic 24.76%
    Creamy 22.09%
    Phenolic 21.93%
    Burnt 21.91%
    Savory 20.58%
    Dairy 19.11%

     

    Flavor
    Bitter 69.56%
    Odorless 35.37%
    Bland 31.67%
    Sweet-like 27.39%
    Very mild 22.55%
    Eugenol 21.13%
    Sweet 21.09%
    Parsley 20.23%
    Cedarleaf 20.11%
    Very slight 19.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.6

    pKa est.
    6.92 (neutral)

    Molecular weight
    370.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2389°C

    Flash point

    • 271.14 ˚C est.

  • Synonyms

    • Fraxin
    • 524-30-1
    • Fraxetin-8-O-glucoside
    • V7M270Y072
    • 2H-1-Benzopyran-2-one, 8-(beta-D-glucopyranosyloxy)-7-hydroxy-6-methoxy-
    • CHEBI:5170
    • DTXSID30200410
    • RefChem:600391
    • 7,8-dihydroxy-6-methoxycoumarin-8-beta-D-glucoside
    • DTXCID30122901
    • 2H-1-Benzopyran-2-one,8-(beta-D-glucopyranosyloxy)-7-hydroxy-6-methoxy-
    • 208-355-5
    • 7-hydroxy-6-methoxy-8-((2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-2-one
    • Fraxoside
    • FRAXINE
    • MFCD00010093
    • 7-Hydroxy-6-methoxy-8-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2H-chromen-2-one
    • 8-(beta-D-Glucopyranosyloxy)-7-hydroxy-6-methoxy-2H-1-benzopyran-2-one
    • 7-hydroxy-6-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
    • 7-hydroxy-6-methoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one
    • 2H-1-Benzopyran-2-one, 8-(.beta.-D-glucopyranosyloxy)-7-hydroxy-6-methoxy-
    • UNII-V7M270Y072
    • Fraxin (Standard)
    • EINECS 208-355-5
    • Fraxetin-8-glucoside
    • FRAXIN [MI]
    • Fraxin, analytical standard
    • FRAXETOL 8-GLUCOSIDE
    • MLS002473090
    • fraxetin-8-O-beta-D-glucoside
    • CHEMBL293864
    • MEGxp0_000484
    • orb1303753
    • SCHEMBL1227439
    • ACon1_000325
    • EX-A8002Y
    • HY-N0579R
    • WLZ4730
    • CRSFLLTWRCYNNX-QBNNUVSCSA-N
    • fraxetin-8-beta-D-glucopyranoside
    • HMS2225L24
    • HY-N0579
    • fraxetin-8-O-beta-D-glucopyranoside
    • BDBM50428429
    • s9296
    • AKOS037514646
    • CCG-268292
    • EBC-615938
    • FF73926
    • NCGC00169184-01
    • 7-hydroxy-6-methoxy-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one
    • AC-34583
    • AS-77295
    • SMR001397192
    • FRAXETIN 8-.BETA.-D-GLUCOPYRANOSIDE
    • CS-0009114
    • NS00032506
    • 524F301
    • Q1452081
    • BRD-K31984062-001-01-6
    • 7,8-Dihydroxy-6-methoxycoumarin 8-|A-D-glucopyranoside
    • 8-(beta-d-glucopyranosyloxy)-7-hydroxy-6-methoxycoumarin
    • 7,8-Dihydroxy-6-methoxycoumarin-beta-D-glucopyranoside hplc
    • 7,8-DIHYDROXY-6-METHOXYCOUMARIN 8-.BETA.-D-GLUCOPYRANOSIDE
    • 7-hydroxy-6-methoxy-2-oxo-2H-chromen-8-yl beta-D-glucopyranoside
    • 7-Hydroxy-6-methoxy-2-oxo-2H-1-benzopyran-8-yl beta-D-glucopyranoside
    • InChI=1/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s
    • 524-30-1

  • Applications

    Fraxin (CAS 524-30-1) is a natural flavonoid glycoside that is primarily evaluated as an antioxidant for cosmetics and personal care products; it may be investigated for food processing applications as an antioxidant or functional ingredient; it can serve as an intermediate in the synthesis of flavonoid derivatives for pharmaceutical and fine-chemical research; it may be used as an analytical reference standard in plant polyphenol analyses; and it is studied in agricultural/phytochemical research as a plant metabolite marker.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.68
    methanol 9.79
    isopropanol 6.75
    water 1.5
    ethyl acetate 0.7
    n-propanol 7.36
    acetone 3.41
    n-butanol 3.29
    acetonitrile 1.16
    DMF 54.13
    toluene 0.17
    isobutanol 2.3
    1,4-dioxane 6.55
    methyl acetate 1.72
    THF 15.3
    2-butanone 2.9
    n-pentanol 1.42
    sec-butanol 4.22
    n-hexane 0.03
    ethylene glycol 51.1
    NMP 59.24
    cyclohexane 0.1
    DMSO 196.64
    n-butyl acetate 0.42
    n-octanol 1.14
    chloroform 0.05
    n-propyl acetate 0.46
    acetic acid 29.65
    dichloromethane 0.1
    cyclohexanone 4.16
    propylene glycol 33.01
    isopropyl acetate 0.43
    DMAc 64.37
    2-ethoxyethanol 23.97
    isopentanol 1.6
    n-heptane 0.14
    ethyl formate 1.21
    1,2-dichloroethane 0.25
    n-hexanol 1.09
    2-methoxyethanol 68.21
    isobutyl acetate 0.17
    tetrachloromethane 0.03
    n-pentyl acetate 0.71
    transcutol 25.25
    n-heptanol 1.61
    ethylbenzene 0.08
    MIBK 0.54
    2-propoxyethanol 10.57
    tert-butanol 4.2
    MTBE 0.71
    2-butoxyethanol 7.34
    propionic acid 6.54
    o-xylene 0.2
    formic acid 88.73
    diethyl ether 0.88
    m-xylene 0.12
    p-xylene 0.12
    chlorobenzene 0.05
    dimethyl carbonate 2.78
    n-octane 0.09
    formamide 99.96
    cyclopentanone 8.59
    2-pentanone 1.25
    anisole 0.4
    cyclopentyl methyl ether 2.26
    gamma-butyrolactone 11.72
    1-methoxy-2-propanol 31.52
    pyridine 2.89
    3-pentanone 1.15
    furfural 8.48
    n-dodecane 0.06
    diethylene glycol 28.21
    diisopropyl ether 0.17
    tert-amyl alcohol 3.16
    acetylacetone 2.31
    n-hexadecane 0.07
    acetophenone 0.86
    methyl propionate 2.08
    isopentyl acetate 0.4
    trichloroethylene 0.26
    n-nonanol 1.26
    cyclohexanol 3.03
    benzyl alcohol 1.27
    2-ethylhexanol 0.55
    isooctanol 0.99
    dipropyl ether 1.09
    1,2-dichlorobenzene 0.06
    ethyl lactate 2.21
    propylene carbonate 2.11
    n-methylformamide 23.62
    2-pentanol 1.6
    n-pentane 0.06
    1-propoxy-2-propanol 6.1
    1-methoxy-2-propyl acetate 1.9
    2-(2-methoxypropoxy) propanol 6.96
    mesitylene 0.09
    ε-caprolactone 4.22
    p-cymene 0.17
    epichlorohydrin 5.19
    1,1,1-trichloroethane 0.05
    2-aminoethanol 38.36
    morpholine-4-carbaldehyde 43.01
    sulfolane 39.0
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 3.8
    n-hexyl acetate 0.93
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 10.73
    sec-butyl acetate 0.23
    tert-butyl acetate 0.61
    decalin 0.03
    glycerin 88.76
    diglyme 17.28
    acrylic acid 10.12
    isopropyl myristate 0.44
    n-butyric acid 3.2
    acetyl acetate 0.43
    di(2-ethylhexyl) phthalate 0.81
    ethyl propionate 0.45
    nitromethane 24.51
    1,2-diethoxyethane 2.08
    benzonitrile 0.4
    trioctyl phosphate 0.78
    1-bromopropane 0.12
    gamma-valerolactone 24.15
    n-decanol 0.97
    triethyl phosphate 0.67
    4-methyl-2-pentanol 0.54
    propionitrile 0.81
    vinylene carbonate 1.68
    1,1,2-trichlorotrifluoroethane 14.2
    DMS 1.2
    cumene 0.07
    2-octanol 0.85
    2-hexanone 0.65
    octyl acetate 0.83
    limonene 0.29
    1,2-dimethoxyethane 11.74
    ethyl orthosilicate 0.6
    tributyl phosphate 0.66
    diacetone alcohol 5.44
    N,N-dimethylaniline 0.55
    acrylonitrile 1.7
    aniline 0.99
    1,3-propanediol 32.04
    bromobenzene 0.03
    dibromomethane 0.06
    1,1,2,2-tetrachloroethane 0.37
    2-methyl-cyclohexyl acetate 0.61
    tetrabutyl urea 1.9
    diisobutyl methanol 0.4
    2-phenylethanol 1.02
    styrene 0.08
    dioctyl adipate 1.06
    dimethyl sulfate 8.42
    ethyl butyrate 0.55
    methyl lactate 10.35
    butyl lactate 1.97
    diethyl carbonate 0.42
    propanediol butyl ether 8.33
    triethyl orthoformate 0.87
    p-tert-butyltoluene 0.17
    methyl 4-tert-butylbenzoate 2.53
    morpholine 16.8
    tert-butylamine 0.94
    n-dodecanol 0.7
    dimethoxymethane 14.79
    ethylene carbonate 1.33
    cyrene 9.96
    2-ethoxyethyl acetate 1.77
    2-ethylhexyl acetate 0.29
    1,2,4-trichlorobenzene 0.15
    4-methylpyridine 1.08
    dibutyl ether 0.67
    2,6-dimethyl-4-heptanol 0.4
    DEF 5.13
    dimethyl isosorbide 7.95
    tetrachloroethylene 0.31
    eugenol 2.85
    triacetin 2.26
    span 80 5.7
    1,4-butanediol 10.8
    1,1-dichloroethane 0.07
    2-methyl-1-pentanol 0.79
    methyl formate 11.09
    2-methyl-1-butanol 1.71
    n-decane 0.11
    butyronitrile 0.52
    3,7-dimethyl-1-octanol 0.59
    1-chlorooctane 0.23
    1-chlorotetradecane 0.11
    n-nonane 0.1
    undecane 0.08
    tert-butylcyclohexane 0.02
    cyclooctane 0.05
    cyclopentanol 6.36
    tetrahydropyran 2.99
    tert-amyl methyl ether 0.87
    2,5,8-trioxanonane 14.39
    1-hexene 0.08
    2-isopropoxyethanol 7.43
    2,2,2-trifluoroethanol 12.82
    methyl butyrate 0.7

    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