Astilbin

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  • Identifiers

    CAS number
    29838-67-3

    Molecular formula
    C21H22O11

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Odorless 79.08%
    Phenolic 31.24%
    Vanilla 28.4%
    Burnt 23.63%
    Savory 21.96%
    Smoky 20.83%
    Milky 19.87%
    Spicy 18.58%
    Bitter 17.48%
    Sweet 17.46%

     

    Flavor
    Bitter 79.16%
    Odorless 32.35%
    Bland 31.58%
    Sweet-like 26.5%
    Cedarleaf 20.38%
    Very mild 19.42%
    Parsley 19.39%
    Eugenol 19.33%
    Lovage 19.19%
    Nitrile 18.99%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    7.78 (neutral)

    Molecular weight
    450.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2432°C

    Melting point expt.

    • 179 - 180 °C

    Flash point

    • 262.04 ˚C est.

  • Synonyms

    • Astilbin
    • 29838-67-3
    • CHEBI:38200
    • DTXSID501019948
    • (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
    • (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one
    • (2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxy)-3,4-dihydro-2H-1-benzopyran-4-one
    • (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3-dihydrochromen-4-one
    • RefChem:115311
    • GlyTouCan:G39891HL
    • DTXCID701477807
    • G39891HL
    • 3-0-alpha-1-rhamnosyl-(2R,3R)-dihydroquercetin
    • KA92CW3M68
    • NSC-245342
    • Taxifolin 3-O-rhamnoside
    • (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)chroman-4-one
    • 4H-1-Benzopyran-4-one,3-[(6-deoxy-a-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2R,3R)-
    • Dihydroquercetin 3-rhamnoside
    • Dihydroquercitrin
    • Astilbin (Standard)
    • taxifolin-3-O-rhamnoside
    • CHEMBL486017
    • MEGxp0_000363
    • orb1305011
    • SCHEMBL26090080
    • SCHEMBL29911707
    • ACon1_000616
    • HY-N0509R
    • dihydroquercetin-3-O-alpha-LRhap
    • ZROGCCBNZBKLEL-MPRHSVQHSA-N
    • HY-N0509
    • MSK40007
    • taxifolin 3-alpha-L-rhamnopyranoside
    • s3932
    • AKOS025402308
    • AC-8008
    • CCG-269236
    • EBC-615443
    • FT65587
    • NCGC00168909-01
    • (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chroman-4-one
    • (2R,3R)-3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one
    • BS-16813
    • DA-50755
    • SY068848
    • CS-0009049
    • NS00099513
    • 2R,3R-dihydroquercetin-3-O-alpha-L-rhamnoside
    • C17449
    • Astilbin from Engelhardtia roxburghiana, >=98%
    • Dihydroquercetin 3-O-.alpha.-L-rhamnopyranoside
    • Q4810880
    • (2R,3R)-3,3',4',5,7-pentahydroxyflavanone-3-alpha-L-rhamnopyranoside
    • (2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl 6-deoxy-alpha-L-mannopyranoside
    • (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside
    • (2R,3R)-3-[(6-Deoxy-|_-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one
    • (2R,3S)-3-[(6-Deoxy--L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one; (2R,3S)-Astilbin
    • (2R-trans)-3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one
    • 4H-1-Benzopyran-4-one, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2R,3R)-
    • 4H-1-Benzopyran-4-one, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2R-trans)-
    • 4H-1-Benzopyran-4-one, 3-[(6-deoxy-.alpha.-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2R,3R)-
    • 29838-67-3

  • Applications

    Astilbin (CAS 29838-67-3) is a flavonoid glycoside found in several plant sources and is regarded as a natural component with multi-industry applicability in chemical technologies. In cosmetics and personal care, it may serve as a natural antioxidant to help stabilize formulations and color. In coatings and inks, astilbin can function as a natural colorant or stabilizing additive for films and printed materials. In research and development for pharmaceuticals, it is evaluated as a bioactive natural product for flavonoid synthesis exploration and as a reference standard in phytochemical profiling of plant extracts. It is also used in quality control programs for plant-derived materials to standardize extracts.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 60.99
    methanol 150.27
    isopropanol 18.44
    water 0.49
    ethyl acetate 9.0
    n-propanol 43.06
    acetone 49.59
    n-butanol 20.19
    acetonitrile 8.69
    DMF 272.24
    toluene 0.55
    isobutanol 8.71
    1,4-dioxane 38.82
    methyl acetate 11.76
    THF 83.34
    2-butanone 27.17
    n-pentanol 5.19
    sec-butanol 11.88
    n-hexane 0.03
    ethylene glycol 115.08
    NMP 129.6
    cyclohexane 0.1
    DMSO 832.9
    n-butyl acetate 1.38
    n-octanol 3.32
    chloroform 0.79
    n-propyl acetate 2.28
    acetic acid 157.27
    dichloromethane 1.12
    cyclohexanone 22.28
    propylene glycol 114.72
    isopropyl acetate 3.42
    DMAc 177.44
    2-ethoxyethanol 138.85
    isopentanol 6.22
    n-heptane 0.09
    ethyl formate 15.78
    1,2-dichloroethane 1.98
    n-hexanol 2.3
    2-methoxyethanol 434.21
    isobutyl acetate 0.55
    tetrachloromethane 0.18
    n-pentyl acetate 2.45
    transcutol 73.22
    n-heptanol 3.33
    ethylbenzene 0.16
    MIBK 3.98
    2-propoxyethanol 47.6
    tert-butanol 8.22
    MTBE 2.14
    2-butoxyethanol 22.07
    propionic acid 30.94
    o-xylene 0.37
    formic acid 253.16
    diethyl ether 6.2
    m-xylene 0.31
    p-xylene 0.16
    chlorobenzene 0.24
    dimethyl carbonate 14.89
    n-octane 0.07
    formamide 283.64
    cyclopentanone 50.24
    2-pentanone 16.86
    anisole 1.59
    cyclopentyl methyl ether 6.67
    gamma-butyrolactone 56.49
    1-methoxy-2-propanol 175.9
    pyridine 11.66
    3-pentanone 7.9
    furfural 38.63
    n-dodecane 0.07
    diethylene glycol 91.39
    diisopropyl ether 0.47
    tert-amyl alcohol 6.22
    acetylacetone 28.4
    n-hexadecane 0.08
    acetophenone 2.32
    methyl propionate 16.03
    isopentyl acetate 1.11
    trichloroethylene 3.01
    n-nonanol 3.3
    cyclohexanol 5.57
    benzyl alcohol 3.96
    2-ethylhexanol 0.91
    isooctanol 2.01
    dipropyl ether 2.32
    1,2-dichlorobenzene 0.23
    ethyl lactate 9.09
    propylene carbonate 8.81
    n-methylformamide 172.78
    2-pentanol 5.18
    n-pentane 0.08
    1-propoxy-2-propanol 20.91
    1-methoxy-2-propyl acetate 8.11
    2-(2-methoxypropoxy) propanol 18.29
    mesitylene 0.18
    ε-caprolactone 17.0
    p-cymene 0.19
    epichlorohydrin 43.32
    1,1,1-trichloroethane 0.42
    2-aminoethanol 148.3
    morpholine-4-carbaldehyde 135.76
    sulfolane 129.66
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 13.19
    n-hexyl acetate 3.32
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 29.92
    sec-butyl acetate 0.95
    tert-butyl acetate 3.35
    decalin 0.03
    glycerin 238.36
    diglyme 51.23
    acrylic acid 42.48
    isopropyl myristate 1.2
    n-butyric acid 24.47
    acetyl acetate 4.32
    di(2-ethylhexyl) phthalate 1.99
    ethyl propionate 2.97
    nitromethane 198.99
    1,2-diethoxyethane 7.38
    benzonitrile 1.3
    trioctyl phosphate 1.96
    1-bromopropane 0.76
    gamma-valerolactone 145.92
    n-decanol 2.27
    triethyl phosphate 1.65
    4-methyl-2-pentanol 1.59
    propionitrile 5.22
    vinylene carbonate 8.87
    1,1,2-trichlorotrifluoroethane 64.55
    DMS 3.64
    cumene 0.1
    2-octanol 1.73
    2-hexanone 3.11
    octyl acetate 2.37
    limonene 0.37
    1,2-dimethoxyethane 70.22
    ethyl orthosilicate 1.42
    tributyl phosphate 1.67
    diacetone alcohol 22.44
    N,N-dimethylaniline 1.15
    acrylonitrile 11.3
    aniline 3.17
    1,3-propanediol 155.03
    bromobenzene 0.13
    dibromomethane 0.52
    1,1,2,2-tetrachloroethane 2.69
    2-methyl-cyclohexyl acetate 1.29
    tetrabutyl urea 3.63
    diisobutyl methanol 0.67
    2-phenylethanol 2.27
    styrene 0.18
    dioctyl adipate 2.95
    dimethyl sulfate 32.74
    ethyl butyrate 2.07
    methyl lactate 50.54
    butyl lactate 6.48
    diethyl carbonate 1.31
    propanediol butyl ether 26.02
    triethyl orthoformate 2.47
    p-tert-butyltoluene 0.21
    methyl 4-tert-butylbenzoate 5.84
    morpholine 81.41
    tert-butylamine 1.34
    n-dodecanol 1.45
    dimethoxymethane 132.36
    ethylene carbonate 6.91
    cyrene 23.69
    2-ethoxyethyl acetate 7.06
    2-ethylhexyl acetate 0.66
    1,2,4-trichlorobenzene 0.48
    4-methylpyridine 4.63
    dibutyl ether 1.66
    2,6-dimethyl-4-heptanol 0.67
    DEF 27.1
    dimethyl isosorbide 21.95
    tetrachloroethylene 1.96
    eugenol 7.54
    triacetin 7.43
    span 80 14.5
    1,4-butanediol 31.6
    1,1-dichloroethane 0.67
    2-methyl-1-pentanol 2.15
    methyl formate 101.87
    2-methyl-1-butanol 6.81
    n-decane 0.14
    butyronitrile 3.98
    3,7-dimethyl-1-octanol 1.6
    1-chlorooctane 0.52
    1-chlorotetradecane 0.2
    n-nonane 0.11
    undecane 0.1
    tert-butylcyclohexane 0.02
    cyclooctane 0.06
    cyclopentanol 12.67
    tetrahydropyran 12.13
    tert-amyl methyl ether 2.45
    2,5,8-trioxanonane 36.26
    1-hexene 0.13
    2-isopropoxyethanol 28.99
    2,2,2-trifluoroethanol 35.35
    methyl butyrate 4.67

    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