Alpha-Viniferin

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  • Identifiers

    CAS number
    62218-13-7

    Molecular formula
    C42H30O9

    SMILES
    C1=CC(=CC=C1[C@H]2[C@@H]3C4=C5[C@@H]([C@H](OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8[C@H]([C@@H](OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=C3C(=CC(=C1)O)O2)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 54.78%
    Odorless 41.21%
    Spicy 26.93%
    Fruity 26.39%
    Medicinal 26.19%
    Burnt 24.72%
    Animal 23.37%
    Smoky 22.52%
    Sweet 21.69%
    Balsamic 20.3%

     

    Flavor
    Bitter 97.44%
    Sweet-like 18.52%
    Cedarleaf 18.19%
    Very strong 18.06%
    Indole 17.73%
    Bland 17.49%
    Nitrile 17.12%
    Lovage 17.08%
    Cereal 16.79%
    Moth ball 16.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.8

    pKa est.
    9.3 (weak base)

    Molecular weight
    678.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1959°C

    Flash point

    • 334.35 ˚C est.

  • Synonyms

    • alpha-Viniferin
    • 62218-13-7
    • (+)-Alpha-Viniferin
    • 53XER6FHLX
    • DTXSID40211274
    • (2R,3R,10R,11R,18S,19S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo[16.6.1.12,5.110,13.021,25.09,27.017,26]heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol
    • CHEBI:66359
    • Cyclonona(1,2,3-cd:4,5,6-c'd':7,8,9-c''d'')trisbenzofuran-4,9,14-triol, 2,2a,7,7a,12,12a-hexahydro-2,7,12-tris(4-hydroxyphenyl)-, (2R*,2aR*,7R*,7aR*,12S*,12aS*)-
    • (2R,2aR,7R,7aR,12S,12aS)-2,7,12-tris(4-hydroxyphenyl)-2,2a,7,7a,12,12a-hexahydrobis[1]benzofuro[3',4':4,5,6;3'',4'':7,8,9]cyclonona[1,2,3-cd][1]benzofuran-4,9,14-triol
    • (2R,2aR,7R,7aR,12S,12aS)-2,7,12-tris(4-hydroxyphenyl)-2,2a,7,7a,12,12a-hexahydrobis(1)benzofuro(3',4':4,5,6;3'',4'':7,8,9)cyclonona(1,2,3-cd)(1)benzofuran-4,9,14-triol
    • (2R,3R,10R,11R,18S,19S)-3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo(16.6.1.12,5.110,13.021,25.09,27.017,26)heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol
    • RefChem:111402
    • DTXCID40133765
    • 3,11,19-tris(4-hydroxyphenyl)-4,12,20-trioxaheptacyclo(16.6.1.12,5.110,13.021,25.09,27.017,26)heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-7,15,23-triol
    • (+)-.alpha.-Viniferin
    • CHEMBL443463
    • (+)--Viniferin
    • Viniferin-alpha
    • +/--Viniferin
    • UNII-53XER6FHLX
    • .ALPHA.-VINIFERIN
    • VINIFERIN, ALPHA-
    • orb389665
    • orb2943140
    • SCHEMBL2721238
    • SCHEMBL29382973
    • HY-N2854
    • MCA21813
    • BDBM50362650
    • FS-8889
    • CS-0023432
    • H53196
    • 3'',4'':7,8,9]cyclonona[1,2,3-cd][1]benzofuran-4,9,14-triol
    • (2R,2aR,7R,7aR,12S,12aS)-2,7,12-tris(4-hydroxyphenyl)-2,2a,7,7a,12,12a-hexahydrobis[1]benzofuro[3',4':4,5,6
    • CYCLONONA(1,2,3-CD:4,5,6-C'D':7,8,9-C''D'')TRISBENZOFURAN-4,9,14-TRIOL, 2,2A,7,7A,12,12A-HEXAHYDRO-2,7,12-TRIS(4-HYDROXYPHENYL)-, (2R*,2AR*,7R*,7AR*,12S*,12AS*)-(+)-
    • 62218-13-7

  • Applications

    Alpha-Viniferin (CAS 62218-13-7) is a stilbene polyphenol derived from plants and is used in real-world applications such as cosmetics and personal care where it serves as an antioxidant and stabilizer in formulations; polymers/plastics where it can act as an antioxidant/stabilizer to improve material durability; coatings and inks as an antioxidant additive for coatings and printing inks; pharmaceutical/biomedical research where it is evaluated for potential bioactivity and used as a reference compound or intermediate in the synthesis of stilbene derivatives; and the food processing sector where it may be considered as a natural antioxidant in processing and preservation under regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.09
    methanol 2.52
    isopropanol 0.49
    water 0.03
    ethyl acetate 2.09
    n-propanol 1.19
    acetone 2.37
    n-butanol 0.79
    acetonitrile 0.82
    DMF 31.69
    toluene 0.34
    isobutanol 0.5
    1,4-dioxane 3.8
    methyl acetate 2.98
    THF 14.22
    2-butanone 3.41
    n-pentanol 0.48
    sec-butanol 0.58
    n-hexane 0.01
    ethylene glycol 1.49
    NMP 26.5
    cyclohexane 0.01
    DMSO 25.5
    n-butyl acetate 1.48
    n-octanol 0.5
    chloroform 3.44
    n-propyl acetate 1.28
    acetic acid 10.35
    dichloromethane 2.3
    cyclohexanone 3.98
    propylene glycol 3.3
    isopropyl acetate 1.29
    DMAc 34.78
    2-ethoxyethanol 6.08
    isopentanol 0.43
    n-heptane 0.02
    ethyl formate 3.27
    1,2-dichloroethane 1.05
    n-hexanol 0.34
    2-methoxyethanol 14.74
    isobutyl acetate 0.58
    tetrachloromethane 0.22
    n-pentyl acetate 1.7
    transcutol 12.97
    n-heptanol 0.53
    ethylbenzene 0.12
    MIBK 0.96
    2-propoxyethanol 8.59
    tert-butanol 0.36
    MTBE 0.43
    2-butoxyethanol 5.24
    propionic acid 4.5
    o-xylene 0.18
    formic acid 8.43
    diethyl ether 0.59
    m-xylene 0.18
    p-xylene 0.11
    chlorobenzene 0.52
    dimethyl carbonate 5.54
    n-octane 0.01
    formamide 9.7
    cyclopentanone 11.65
    2-pentanone 2.16
    anisole 1.04
    cyclopentyl methyl ether 1.81
    gamma-butyrolactone 19.99
    1-methoxy-2-propanol 13.11
    pyridine 4.63
    3-pentanone 1.58
    furfural 18.38
    n-dodecane 0.01
    diethylene glycol 6.56
    diisopropyl ether 0.1
    tert-amyl alcohol 0.51
    acetylacetone 5.15
    n-hexadecane 0.01
    acetophenone 1.61
    methyl propionate 4.19
    isopentyl acetate 1.07
    trichloroethylene 5.42
    n-nonanol 0.59
    cyclohexanol 0.48
    benzyl alcohol 1.4
    2-ethylhexanol 0.27
    isooctanol 0.37
    dipropyl ether 0.92
    1,2-dichlorobenzene 0.54
    ethyl lactate 3.15
    propylene carbonate 7.01
    n-methylformamide 11.89
    2-pentanol 0.38
    n-pentane 0.01
    1-propoxy-2-propanol 6.91
    1-methoxy-2-propyl acetate 6.39
    2-(2-methoxypropoxy) propanol 5.81
    mesitylene 0.08
    ε-caprolactone 5.91
    p-cymene 0.14
    epichlorohydrin 14.11
    1,1,1-trichloroethane 0.65
    2-aminoethanol 2.78
    morpholine-4-carbaldehyde 28.8
    sulfolane 34.94
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.44
    n-hexyl acetate 1.79
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 7.0
    sec-butyl acetate 0.69
    tert-butyl acetate 1.33
    decalin 0.01
    glycerin 11.67
    diglyme 13.69
    acrylic acid 7.65
    isopropyl myristate 0.6
    n-butyric acid 4.7
    acetyl acetate 2.05
    di(2-ethylhexyl) phthalate 1.03
    ethyl propionate 1.49
    nitromethane 19.93
    1,2-diethoxyethane 2.15
    benzonitrile 1.05
    trioctyl phosphate 0.73
    1-bromopropane 0.33
    gamma-valerolactone 37.17
    n-decanol 0.36
    triethyl phosphate 1.19
    4-methyl-2-pentanol 0.21
    propionitrile 0.95
    vinylene carbonate 8.27
    1,1,2-trichlorotrifluoroethane 31.52
    DMS 2.39
    cumene 0.07
    2-octanol 0.31
    2-hexanone 1.02
    octyl acetate 1.01
    limonene 0.18
    1,2-dimethoxyethane 7.94
    ethyl orthosilicate 1.0
    tributyl phosphate 0.85
    diacetone alcohol 3.85
    N,N-dimethylaniline 0.71
    acrylonitrile 2.7
    aniline 1.2
    1,3-propanediol 3.57
    bromobenzene 0.41
    dibromomethane 0.8
    1,1,2,2-tetrachloroethane 4.0
    2-methyl-cyclohexyl acetate 1.07
    tetrabutyl urea 1.49
    diisobutyl methanol 0.18
    2-phenylethanol 1.09
    styrene 0.15
    dioctyl adipate 1.44
    dimethyl sulfate 13.43
    ethyl butyrate 1.69
    methyl lactate 10.8
    butyl lactate 3.89
    diethyl carbonate 1.15
    propanediol butyl ether 5.63
    triethyl orthoformate 1.96
    p-tert-butyltoluene 0.15
    methyl 4-tert-butylbenzoate 3.16
    morpholine 6.88
    tert-butylamine 0.11
    n-dodecanol 0.23
    dimethoxymethane 12.31
    ethylene carbonate 4.69
    cyrene 7.81
    2-ethoxyethyl acetate 4.55
    2-ethylhexyl acetate 0.76
    1,2,4-trichlorobenzene 1.05
    4-methylpyridine 2.6
    dibutyl ether 0.54
    2,6-dimethyl-4-heptanol 0.18
    DEF 5.16
    dimethyl isosorbide 11.19
    tetrachloroethylene 1.92
    eugenol 3.74
    triacetin 4.82
    span 80 4.7
    1,4-butanediol 1.02
    1,1-dichloroethane 0.69
    2-methyl-1-pentanol 0.31
    methyl formate 9.69
    2-methyl-1-butanol 0.53
    n-decane 0.02
    butyronitrile 0.68
    3,7-dimethyl-1-octanol 0.37
    1-chlorooctane 0.14
    1-chlorotetradecane 0.05
    n-nonane 0.02
    undecane 0.01
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 1.06
    tetrahydropyran 1.52
    tert-amyl methyl ether 0.58
    2,5,8-trioxanonane 9.09
    1-hexene 0.05
    2-isopropoxyethanol 2.71
    2,2,2-trifluoroethanol 5.25
    methyl butyrate 2.15

    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