Woodfordin C

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  • Identifiers

    CAS number
    126347-63-5

    Molecular formula
    C75H52O48

    SMILES
    C1C(C2C(C(OC(=O)C3=CC(=C(C(=C3OC4=C(C(=C5C(=C4)C(=O)OCC6C(C(C(C(O6)OC(=O)C7=CC(=C(C(=C7)O)O)O)OC(=O)C8=CC(=C(C(=C8OC9=C(C(=C(C(=C9)C(=O)O2)C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)OC(=O)C1=CC(=C(C(=C15)O)O)O)O)O)O)O)O)C=O)OC(=O)C1=CC(=C(C(=C1)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 80.77%
    Phenolic 32.6%
    Burnt 25.24%
    Balsamic 17.83%
    Savory 15.64%
    Smoky 15.42%
    Spicy 15.05%
    Milky 14.06%
    Bitter 13.68%
    Vanilla 13.59%

     

    Flavor
    Bitter 89.12%
    Odorless 33.69%
    Bland 31.3%
    Sweet-like 23.75%
    Very mild 20.75%
    Cedarleaf 19.84%
    Lovage 19.57%
    Parsley 19.48%
    Eugenol 19.36%
    Nitrile 19.0%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    5.86 (weak acid)

    Molecular weight
    1721.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    4033°C

    Flash point

    • 94.75 ˚C est.

  • Synonyms

    • Woodfordin C
    • Woodfruticosin
    • 126347-63-5
    • RefChem:194951
    • (11-formyl-4,5,6,14,20,21,22,25,26,30,31,32,46,47,48,51,52-heptadecahydroxy-9,17,35,43,55,61-hexaoxo-38,58-bis((3,4,5-trihydroxybenzoyl)oxy)-2,10,16,28,36,39,42,56,62-nonaoxadecacyclo(38.12.5.413,27.137,41.03,8.018,23.029,34.044,49.050,54.024,60)dohexaconta-1(52),3,5,7,18,20,22,24,26,29,31,33,44,46,48,50,53,59-octadecaen-12-yl) 3,4,5-trihydroxybenzoate
    • SCHEMBL30515173
    • DTXSID901377873
    • 189302-95-2
    • 189302-95-2

  • Applications

    Woodfordin C (CAS 126347-63-5) is a small, naturally derived compound that may serve as an intermediate in organic synthesis and may function as an odorant or fixative in perfumery. It is often evaluated for cosmetics and personal care as a fragrance ingredient, and for flavor formulations as a fragrance precursor or modifier. In industrial manufacturing, it can be considered as a specialty additive or processing aid in coatings, inks, and polymer formulations, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.76
    methanol 3.46
    isopropanol 1.89
    water 0.29
    ethyl acetate 2.57
    n-propanol 2.08
    acetone 5.13
    n-butanol 1.0
    acetonitrile 1.54
    DMF 70.82
    toluene 0.57
    isobutanol 0.81
    1,4-dioxane 13.35
    methyl acetate 5.18
    THF 29.44
    2-butanone 4.25
    n-pentanol 0.67
    sec-butanol 1.46
    n-hexane 0.02
    ethylene glycol 10.05
    NMP 55.69
    cyclohexane 0.04
    DMSO 45.89
    n-butyl acetate 0.99
    n-octanol 1.19
    chloroform 0.93
    n-propyl acetate 1.39
    acetic acid 17.82
    dichloromethane 1.02
    cyclohexanone 3.06
    propylene glycol 10.87
    isopropyl acetate 1.69
    DMAc 58.1
    2-ethoxyethanol 16.09
    isopentanol 0.5
    n-heptane 0.07
    ethyl formate 2.37
    1,2-dichloroethane 0.78
    n-hexanol 0.41
    2-methoxyethanol 37.13
    isobutyl acetate 0.41
    tetrachloromethane 0.13
    n-pentyl acetate 1.89
    transcutol 23.96
    n-heptanol 0.98
    ethylbenzene 0.19
    MIBK 0.78
    2-propoxyethanol 11.1
    tert-butanol 1.55
    MTBE 1.18
    2-butoxyethanol 9.32
    propionic acid 6.33
    o-xylene 0.37
    formic acid 20.33
    diethyl ether 1.48
    m-xylene 0.31
    p-xylene 0.18
    chlorobenzene 0.2
    dimethyl carbonate 10.19
    n-octane 0.05
    formamide 28.62
    cyclopentanone 11.86
    2-pentanone 2.24
    anisole 1.37
    cyclopentyl methyl ether 4.26
    gamma-butyrolactone 23.27
    1-methoxy-2-propanol 26.76
    pyridine 6.73
    3-pentanone 1.92
    furfural 16.2
    n-dodecane 0.04
    diethylene glycol 15.13
    diisopropyl ether 0.27
    tert-amyl alcohol 1.34
    acetylacetone 6.7
    n-hexadecane 0.04
    acetophenone 1.69
    methyl propionate 5.85
    isopentyl acetate 0.55
    trichloroethylene 2.29
    n-nonanol 1.27
    cyclohexanol 1.0
    benzyl alcohol 1.78
    2-ethylhexanol 0.24
    isooctanol 0.6
    dipropyl ether 1.46
    1,2-dichlorobenzene 0.18
    ethyl lactate 3.63
    propylene carbonate 4.41
    n-methylformamide 19.83
    2-pentanol 0.71
    n-pentane 0.04
    1-propoxy-2-propanol 8.58
    1-methoxy-2-propyl acetate 5.07
    2-(2-methoxypropoxy) propanol 6.64
    mesitylene 0.15
    ε-caprolactone 4.82
    p-cymene 0.15
    epichlorohydrin 12.37
    1,1,1-trichloroethane 0.33
    2-aminoethanol 9.13
    morpholine-4-carbaldehyde 68.68
    sulfolane 34.14
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 5.26
    n-hexyl acetate 1.93
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 10.85
    sec-butyl acetate 0.72
    tert-butyl acetate 1.73
    decalin 0.02
    glycerin 35.83
    diglyme 22.39
    acrylic acid 10.95
    isopropyl myristate 0.65
    n-butyric acid 3.24
    acetyl acetate 2.09
    di(2-ethylhexyl) phthalate 0.74
    ethyl propionate 1.64
    nitromethane 32.47
    1,2-diethoxyethane 3.77
    benzonitrile 0.72
    trioctyl phosphate 0.69
    1-bromopropane 0.26
    gamma-valerolactone 39.76
    n-decanol 0.8
    triethyl phosphate 0.86
    4-methyl-2-pentanol 0.29
    propionitrile 1.11
    vinylene carbonate 4.36
    1,1,2-trichlorotrifluoroethane 24.47
    DMS 3.23
    cumene 0.1
    2-octanol 0.76
    2-hexanone 1.06
    octyl acetate 1.28
    limonene 0.2
    1,2-dimethoxyethane 15.72
    ethyl orthosilicate 0.79
    tributyl phosphate 0.53
    diacetone alcohol 5.47
    N,N-dimethylaniline 1.27
    acrylonitrile 2.75
    aniline 1.7
    1,3-propanediol 8.99
    bromobenzene 0.15
    dibromomethane 0.37
    1,1,2,2-tetrachloroethane 1.95
    2-methyl-cyclohexyl acetate 0.58
    tetrabutyl urea 1.54
    diisobutyl methanol 0.19
    2-phenylethanol 0.98
    styrene 0.23
    dioctyl adipate 1.37
    dimethyl sulfate 22.94
    ethyl butyrate 1.12
    methyl lactate 15.6
    butyl lactate 3.62
    diethyl carbonate 0.82
    propanediol butyl ether 11.49
    triethyl orthoformate 1.76
    p-tert-butyltoluene 0.17
    methyl 4-tert-butylbenzoate 3.46
    morpholine 20.81
    tert-butylamine 0.44
    n-dodecanol 0.52
    dimethoxymethane 27.84
    ethylene carbonate 2.81
    cyrene 9.0
    2-ethoxyethyl acetate 5.32
    2-ethylhexyl acetate 0.44
    1,2,4-trichlorobenzene 0.44
    4-methylpyridine 3.27
    dibutyl ether 0.95
    2,6-dimethyl-4-heptanol 0.19
    DEF 6.7
    dimethyl isosorbide 8.68
    tetrachloroethylene 1.11
    eugenol 3.41
    triacetin 5.33
    span 80 6.65
    1,4-butanediol 3.06
    1,1-dichloroethane 0.44
    2-methyl-1-pentanol 0.32
    methyl formate 14.58
    2-methyl-1-butanol 0.62
    n-decane 0.08
    butyronitrile 0.66
    3,7-dimethyl-1-octanol 0.43
    1-chlorooctane 0.26
    1-chlorotetradecane 0.09
    n-nonane 0.07
    undecane 0.05
    tert-butylcyclohexane 0.01
    cyclooctane 0.03
    cyclopentanol 2.78
    tetrahydropyran 3.35
    tert-amyl methyl ether 1.22
    2,5,8-trioxanonane 13.92
    1-hexene 0.09
    2-isopropoxyethanol 6.67
    2,2,2-trifluoroethanol 9.96
    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