Woodrosin I

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  • Identifiers

    CAS number
    156057-51-1

    Molecular formula
    C66H112O30

    SMILES
    CCCCCC1CCCCCCCCCC(=O)OC2C(C(C(OC2OCC3C(C(C(C(O3)OC4C(C(OC(C4OC5C(C(C(C(O5)C)OC(=O)C(C)CC)O)OC(=O)C(C)CC)OC6C(C(C(OC6O1)CO)O)O)CO)O)O)OC(=O)C(C)CC)OC(=O)C(C)CC)CO)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 46.31%
    Fruity 36.74%
    Buttery 29.07%
    Lactonic 28.68%
    Milky 28.55%
    Fatty 22.71%
    Creamy 21.72%
    Dairy 21.63%
    Caramellic 21.33%
    Oily 21.17%

     

    Flavor
    Bitter 46.06%
    Fatty 36.46%
    Odorless 26.69%
    Sweet-like 26.04%
    Sweet 24.06%
    Bland 23.65%
    Metallic 22.62%
    Cedarleaf 22.24%
    Oily 22.12%
    Cauliflower 21.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    4.65 (weak acid)

    Molecular weight
    1385.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5257°C

    Flash point

    • -19.23 ˚C est.

  • Synonyms

    • Woodrosin I
    • 156057-51-1
    • [6-[[4,10,11,29,30,39-hexahydroxy-5,12,31-tris(hydroxymethyl)-37,38-bis(2-methylbutanoyloxy)-26-oxo-16-pentyl-2,6,8,13,15,27,32,34,40-nonaoxapentacyclo[34.3.1.13,7.09,14.028,33]hentetracontan-41-yl]oxy]-4-hydroxy-2-methyl-5-(2-methylbutanoyloxy)oxan-3-yl] 2-methylbutanoate
    • (6-((4,10,11,29,30,39-hexahydroxy-5,12,31-tris(hydroxymethyl)-37,38-bis(2-methylbutanoyloxy)-26-oxo-16-pentyl-2,6,8,13,15,27,32,34,40-nonaoxapentacyclo(34.3.1.13,7.09,14.028,33)hentetracontan-41-yl)oxy)-4-hydroxy-2-methyl-5-(2-methylbutanoyloxy)oxan-3-yl) 2-methylbutanoate
    • RefChem:194954
    • Hexadecanoic acid, 11-((O-6-deoxy-2,4-bis-O-((S)-2-methyl-1-oxobutyl)-alpha-L-mannopyranosyl-(1-2)-O-(O-beta-D-glucopyranosyl-(1-6)-3,4 bis-O-((S)-2-methyl-1-oxobutyl)-beta-D-glucopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-2)-beta-D-glcopyranosyl)oxy)-, intramol. 1-2''''-ester, (S)-
    • Jalapinolic acid 11-O-glucopyranosyl-1-6-O-(3,4-di-O-2-methylbutyryl)glucopyranosyl-1-3-O-((2,4-di-O-2-methylbutyryl)rhamnopyranosyl-1-2)-O-glucopyranosyl-1-2-glucopyranoside intramolecular 1,2'''''-ester
    • orb1694851
    • SCHEMBL30531892
    • AKOS040754425
    • (S)-Intramol. 1-2''''-11-((O-6-deoxy-2,4-bis-O-((S)-2-methyl-1-oxobutyl)-alpha-L-mannopyranosyl-(1-2)-O-(O-beta-D-glucopyranosyl-(1-6)-3,4-bis-D-((S)-2-methyl-1-oxobutyl)-beta-D-glopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-2)-beta-D-glucopyranosyl)oxy)hexadecanoate
    • Hexadecanoic acid, 11-((O-6-deoxy-2,4-bis-O-((S)-2-methyl-1-oxobutyl)-alpha-L-mannopyranosyl-(1-2)-O-(O-beta-D-glucopyranosyl-(1-6)-3,4-bis-D-((S)-2-methyl-1-oxobutyl)-beta-D-glopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-2)-beta-D-glucopyranosyl)oxy)-, intramol. 1-2''''-ester, (S)-
    • 156057-51-1

  • Applications

    Woodrosin I (CAS 156057-51-1) is an organic compound typically considered as an intermediate in the synthesis of specialty chemicals; it may be used as a polymer resin modifier or processing aid in coatings, inks, and adhesives; it may be evaluated as a component in polymer formulations; it may have potential as a fragrance component or fixative in perfumery, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.17
    methanol 72.69
    isopropanol 12.92
    water 3.07
    ethyl acetate 50.18
    n-propanol 19.05
    acetone 46.2
    n-butanol 12.07
    acetonitrile 18.33
    DMF 269.05
    toluene 20.21
    isobutanol 11.45
    1,4-dioxane 75.17
    methyl acetate 63.56
    THF 135.28
    2-butanone 46.54
    n-pentanol 12.89
    sec-butanol 14.34
    n-hexane 0.77
    ethylene glycol 31.19
    NMP 559.25
    cyclohexane 1.66
    DMSO 260.63
    n-butyl acetate 21.73
    n-octanol 12.22
    chloroform 77.85
    n-propyl acetate 25.81
    acetic acid 288.47
    dichloromethane 76.74
    cyclohexanone 86.86
    propylene glycol 38.42
    isopropyl acetate 32.9
    DMAc 393.48
    2-ethoxyethanol 66.63
    isopentanol 8.79
    n-heptane 1.18
    ethyl formate 39.94
    1,2-dichloroethane 40.54
    n-hexanol 9.17
    2-methoxyethanol 104.34
    isobutyl acetate 14.17
    tetrachloromethane 14.27
    n-pentyl acetate 38.07
    transcutol 145.92
    n-heptanol 12.86
    ethylbenzene 8.12
    MIBK 17.72
    2-propoxyethanol 61.92
    tert-butanol 12.99
    MTBE 12.43
    2-butoxyethanol 55.66
    propionic acid 99.72
    o-xylene 17.79
    formic acid 218.87
    diethyl ether 14.04
    m-xylene 13.79
    p-xylene 10.58
    chlorobenzene 23.58
    dimethyl carbonate 117.12
    n-octane 0.91
    formamide 182.31
    cyclopentanone 150.01
    2-pentanone 34.58
    anisole 20.82
    cyclopentyl methyl ether 52.28
    gamma-butyrolactone 276.25
    1-methoxy-2-propanol 85.58
    pyridine 72.61
    3-pentanone 38.88
    furfural 208.63
    n-dodecane 0.67
    diethylene glycol 68.71
    diisopropyl ether 4.93
    tert-amyl alcohol 14.74
    acetylacetone 96.39
    n-hexadecane 0.78
    acetophenone 39.52
    methyl propionate 81.72
    isopentyl acetate 17.66
    trichloroethylene 122.14
    n-nonanol 12.52
    cyclohexanol 20.95
    benzyl alcohol 33.73
    2-ethylhexanol 6.41
    isooctanol 9.11
    dipropyl ether 11.87
    1,2-dichlorobenzene 29.75
    ethyl lactate 42.53
    propylene carbonate 130.51
    n-methylformamide 146.1
    2-pentanol 9.8
    n-pentane 0.91
    1-propoxy-2-propanol 46.78
    1-methoxy-2-propyl acetate 60.55
    2-(2-methoxypropoxy) propanol 53.67
    mesitylene 7.97
    ε-caprolactone 120.88
    p-cymene 6.09
    epichlorohydrin 144.32
    1,1,1-trichloroethane 35.72
    2-aminoethanol 40.05
    morpholine-4-carbaldehyde 353.4
    sulfolane 524.75
    2,2,4-trimethylpentane 0.78
    2-methyltetrahydrofuran 55.62
    n-hexyl acetate 35.33
    isooctane 0.43
    2-(2-butoxyethoxy)ethanol 62.77
    sec-butyl acetate 17.12
    tert-butyl acetate 29.77
    decalin 1.23
    glycerin 103.56
    diglyme 120.54
    acrylic acid 166.36
    isopropyl myristate 10.25
    n-butyric acid 79.01
    acetyl acetate 74.22
    di(2-ethylhexyl) phthalate 19.92
    ethyl propionate 27.17
    nitromethane 313.5
    1,2-diethoxyethane 30.39
    benzonitrile 24.71
    trioctyl phosphate 13.83
    1-bromopropane 12.92
    gamma-valerolactone 294.97
    n-decanol 7.92
    triethyl phosphate 20.4
    4-methyl-2-pentanol 5.46
    propionitrile 16.76
    vinylene carbonate 146.27
    1,1,2-trichlorotrifluoroethane 262.09
    DMS 63.5
    cumene 5.43
    2-octanol 8.92
    2-hexanone 21.38
    octyl acetate 18.29
    limonene 8.26
    1,2-dimethoxyethane 67.99
    ethyl orthosilicate 17.55
    tributyl phosphate 14.42
    diacetone alcohol 52.75
    N,N-dimethylaniline 22.32
    acrylonitrile 36.7
    aniline 36.33
    1,3-propanediol 39.85
    bromobenzene 23.75
    dibromomethane 36.11
    1,1,2,2-tetrachloroethane 92.99
    2-methyl-cyclohexyl acetate 20.38
    tetrabutyl urea 21.89
    diisobutyl methanol 4.07
    2-phenylethanol 23.66
    styrene 9.65
    dioctyl adipate 22.77
    dimethyl sulfate 278.77
    ethyl butyrate 19.29
    methyl lactate 124.33
    butyl lactate 47.66
    diethyl carbonate 16.03
    propanediol butyl ether 68.79
    triethyl orthoformate 22.29
    p-tert-butyltoluene 6.3
    methyl 4-tert-butylbenzoate 59.11
    morpholine 93.39
    tert-butylamine 5.04
    n-dodecanol 5.3
    dimethoxymethane 129.58
    ethylene carbonate 97.61
    cyrene 105.61
    2-ethoxyethyl acetate 72.82
    2-ethylhexyl acetate 15.78
    1,2,4-trichlorobenzene 49.7
    4-methylpyridine 57.14
    dibutyl ether 9.39
    2,6-dimethyl-4-heptanol 4.07
    DEF 83.74
    dimethyl isosorbide 93.16
    tetrachloroethylene 69.46
    eugenol 46.8
    triacetin 91.17
    span 80 56.4
    1,4-butanediol 26.48
    1,1-dichloroethane 29.31
    2-methyl-1-pentanol 9.68
    methyl formate 137.6
    2-methyl-1-butanol 11.07
    n-decane 1.31
    butyronitrile 11.01
    3,7-dimethyl-1-octanol 8.13
    1-chlorooctane 5.85
    1-chlorotetradecane 2.12
    n-nonane 1.15
    undecane 0.9
    tert-butylcyclohexane 0.89
    cyclooctane 1.16
    cyclopentanol 36.35
    tetrahydropyran 36.64
    tert-amyl methyl ether 16.12
    2,5,8-trioxanonane 82.63
    1-hexene 2.64
    2-isopropoxyethanol 38.66
    2,2,2-trifluoroethanol 176.58
    methyl butyrate 33.93

    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