(4,8'':4'',8''''-Terflavan)-3,3'',3'''',4',4''',4'''',4''''',5,5'',5'''',7,7'',7''''-tridecol

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  • Identifiers

    CAS number
    25713-96-6

    Molecular formula
    C45H38O16

    SMILES
    C1=CC(=CC=C1C2C(C(C3=C(C=C(C=C3O2)O)O)C4=C5C(=C(C=C4O)O)C(C(C(O5)C6=CC=C(C=C6)O)O)C7=C8C(=C(C=C7O)O)C(C(C(O8)C9=CC=C(C=C9)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 62.49%
    Phenolic 53.29%
    Smoky 26.25%
    Vanilla 26.23%
    Burnt 25.55%
    Medicinal 24.15%
    Spicy 23.98%
    Sweet 21.17%
    Balsamic 20.66%
    Bitter 20.34%

     

    Flavor
    Bitter 93.58%
    Bland 25.18%
    Odorless 24.45%
    Sweet-like 22.79%
    Cedarleaf 19.99%
    Lovage 18.71%
    Very strong 18.61%
    Indole 18.58%
    Parsley 18.5%
    Nitrile 18.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    9.19 (weak base)

    Molecular weight
    834.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    5503°C

    Flash point

    • 330.4 ˚C est.

  • Synonyms

    • [4,8'':4'',8''''-Terflavan]-3,3'',3'''',4',4''',4'''',4''''',5,5'',5'''',7,7'',7''''-tridecol
    • 25713-96-6
    • (4,8'':4'',8''''-Terflavan)-3,3'',3'''',4',4''',4'''',4''''',5,5'',5'''',7,7'',7''''-tridecol
    • RefChem:208463
    • DTXSID201119305
    • [3,5,7,4'-Tetrahydroxyflavan-(4->8)]2-3,4,5,7,4'-pentahydroxyflavan
    • [4,8'':4'',8''''-Terflavan]-3,3'',3'''',4',4''',4'''',4''''',5,5'',5'''',7,7'',7''''-tridecol, 8CI
    • [4,8a(2)a(2):4a(2)a(2),8a(2)a(2)a(2)a(2)-Terflavan]-3,3a(2)a(2),3a(2)a(2)a(2)a(2),4a(2),4a(2)a(2)a(2),4a(2)a(2)a(2)a(2),4a(2)a(2)a(2)a(2)a(2),5,5a(2)a(2),5a(2)a(2)a(2)a(2),7,7a(2)a(2),7a(2)a(2)a(2)a(2)-tridecol
    • 1~2~,2~2~,3~2~-Tris(4-hydroxyphenyl)-1~3~,1~4~,2~3~,2~4~,3~3~,3~4~-hexahydro-1~2~H,2~2~H,3~2~H-[1~4~,2~8~:2~4~,3~8~-ter-1-benzopyran]-1~3~,1~5~,1~7~,2~3~,2~5~,2~7~,3~3~,3~4~,3~5~,3~7~-decol
    • 25713-96-6

  • Applications

    For the chemical name (4,8'':4'',8''''-Terflavan)-3,3'',3'''',4',4''',4'''',4''''',5,5'',5'''',7,7'',7''''-tridecol (CAS 25713-96-6), typical applications span several industries: may be used as an intermediate in complex organic synthesis; may function as an antioxidant or stabilizer in polymer matrices and coatings; may be evaluated as a chelating agent or formulation stabilizer; could be considered as a fragrance component or odor fixative in fragrance formulations; could be studied as a building block for polyphenol derivatives in pharmaceutical research and development, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.32
    methanol 22.07
    isopropanol 1.25
    water 0.06
    ethyl acetate 2.23
    n-propanol 3.69
    acetone 5.55
    n-butanol 1.7
    acetonitrile 1.15
    DMF 104.47
    toluene 0.26
    isobutanol 0.9
    1,4-dioxane 9.62
    methyl acetate 3.1
    THF 28.38
    2-butanone 5.44
    n-pentanol 0.63
    sec-butanol 1.04
    n-hexane 0.01
    ethylene glycol 11.31
    NMP 67.6
    cyclohexane 0.01
    DMSO 110.08
    n-butyl acetate 0.92
    n-octanol 0.54
    chloroform 1.06
    n-propyl acetate 0.89
    acetic acid 28.76
    dichloromethane 1.17
    cyclohexanone 5.65
    propylene glycol 16.48
    isopropyl acetate 0.98
    DMAc 67.72
    2-ethoxyethanol 17.1
    isopentanol 0.61
    n-heptane 0.01
    ethyl formate 5.61
    1,2-dichloroethane 0.92
    n-hexanol 0.32
    2-methoxyethanol 71.14
    isobutyl acetate 0.27
    tetrachloromethane 0.1
    n-pentyl acetate 1.08
    transcutol 16.68
    n-heptanol 0.56
    ethylbenzene 0.06
    MIBK 0.85
    2-propoxyethanol 13.89
    tert-butanol 0.59
    MTBE 0.38
    2-butoxyethanol 6.99
    propionic acid 6.7
    o-xylene 0.12
    formic acid 44.15
    diethyl ether 0.84
    m-xylene 0.12
    p-xylene 0.06
    chlorobenzene 0.21
    dimethyl carbonate 6.23
    n-octane 0.01
    formamide 38.6
    cyclopentanone 18.13
    2-pentanone 2.9
    anisole 0.64
    cyclopentyl methyl ether 2.0
    gamma-butyrolactone 27.96
    1-methoxy-2-propanol 31.84
    pyridine 5.98
    3-pentanone 1.87
    furfural 24.08
    n-dodecane 0.01
    diethylene glycol 19.04
    diisopropyl ether 0.08
    tert-amyl alcohol 0.61
    acetylacetone 6.48
    n-hexadecane 0.01
    acetophenone 1.02
    methyl propionate 5.09
    isopentyl acetate 0.55
    trichloroethylene 2.81
    n-nonanol 0.59
    cyclohexanol 0.62
    benzyl alcohol 1.23
    2-ethylhexanol 0.19
    isooctanol 0.33
    dipropyl ether 0.74
    1,2-dichlorobenzene 0.17
    ethyl lactate 3.28
    propylene carbonate 5.97
    n-methylformamide 44.05
    2-pentanol 0.47
    n-pentane 0.01
    1-propoxy-2-propanol 7.61
    1-methoxy-2-propyl acetate 4.39
    2-(2-methoxypropoxy) propanol 5.94
    mesitylene 0.05
    ε-caprolactone 7.14
    p-cymene 0.06
    epichlorohydrin 19.25
    1,1,1-trichloroethane 0.25
    2-aminoethanol 15.23
    morpholine-4-carbaldehyde 66.35
    sulfolane 60.55
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 3.2
    n-hexyl acetate 1.1
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 8.51
    sec-butyl acetate 0.37
    tert-butyl acetate 0.93
    decalin 0.0
    glycerin 51.16
    diglyme 16.85
    acrylic acid 12.17
    isopropyl myristate 0.36
    n-butyric acid 5.89
    acetyl acetate 1.68
    di(2-ethylhexyl) phthalate 0.63
    ethyl propionate 1.1
    nitromethane 45.72
    1,2-diethoxyethane 1.99
    benzonitrile 0.57
    trioctyl phosphate 0.58
    1-bromopropane 0.27
    gamma-valerolactone 78.79
    n-decanol 0.37
    triethyl phosphate 0.64
    4-methyl-2-pentanol 0.17
    propionitrile 1.17
    vinylene carbonate 6.83
    1,1,2-trichlorotrifluoroethane 39.06
    DMS 1.58
    cumene 0.03
    2-octanol 0.26
    2-hexanone 0.93
    octyl acetate 0.73
    limonene 0.1
    1,2-dimethoxyethane 16.59
    ethyl orthosilicate 0.52
    tributyl phosphate 0.51
    diacetone alcohol 4.63
    N,N-dimethylaniline 0.4
    acrylonitrile 3.33
    aniline 0.99
    1,3-propanediol 13.87
    bromobenzene 0.12
    dibromomethane 0.4
    1,1,2,2-tetrachloroethane 1.89
    2-methyl-cyclohexyl acetate 0.53
    tetrabutyl urea 1.2
    diisobutyl methanol 0.12
    2-phenylethanol 0.75
    styrene 0.08
    dioctyl adipate 0.99
    dimethyl sulfate 15.87
    ethyl butyrate 1.04
    methyl lactate 15.98
    butyl lactate 3.08
    diethyl carbonate 0.64
    propanediol butyl ether 8.56
    triethyl orthoformate 1.2
    p-tert-butyltoluene 0.06
    methyl 4-tert-butylbenzoate 2.09
    morpholine 18.04
    tert-butylamine 0.12
    n-dodecanol 0.22
    dimethoxymethane 31.84
    ethylene carbonate 4.19
    cyrene 9.92
    2-ethoxyethyl acetate 3.39
    2-ethylhexyl acetate 0.36
    1,2,4-trichlorobenzene 0.33
    4-methylpyridine 2.4
    dibutyl ether 0.41
    2,6-dimethyl-4-heptanol 0.12
    DEF 7.52
    dimethyl isosorbide 10.36
    tetrachloroethylene 1.17
    eugenol 2.75
    triacetin 2.82
    span 80 5.22
    1,4-butanediol 3.14
    1,1-dichloroethane 0.39
    2-methyl-1-pentanol 0.29
    methyl formate 29.44
    2-methyl-1-butanol 0.77
    n-decane 0.02
    butyronitrile 0.82
    3,7-dimethyl-1-octanol 0.28
    1-chlorooctane 0.1
    1-chlorotetradecane 0.03
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 1.73
    tetrahydropyran 2.41
    tert-amyl methyl ether 0.46
    2,5,8-trioxanonane 11.08
    1-hexene 0.03
    2-isopropoxyethanol 4.21
    2,2,2-trifluoroethanol 9.12
    methyl butyrate 1.89

    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