Bullacin B

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  • Identifiers

    CAS number
    210230-74-3

    Molecular formula
    C37H66O7

    SMILES
    CCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@@H](CCCCCCCC[C@H](CCCC3=C[C@@H](OC3=O)C)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Oily 38.0%
    Fruity 33.07%
    Lactonic 32.44%
    Odorless 30.84%
    Peach 30.69%
    Fresh 30.45%
    Sweet 28.55%
    Waxy 27.51%
    Fatty 26.72%
    Milky 25.89%

     

    Flavor
    Fatty 32.28%
    Mild 26.84%
    Bland 26.32%
    Waxy 26.05%
    Oily 25.27%
    Odorless 24.65%
    Herbal 24.17%
    Floral 21.31%
    Cedarleaf 21.22%
    Slightly waxy 20.92%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.3

    pKa est.
    7.74 (neutral)

    Molecular weight
    622.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1715°C

    Flash point

    • 246.68 ˚C est.

  • Synonyms

    • Bullacin B
    • (2S)-4-((4R,13R)-4,13-dihydroxy-13-((2R,5R)-5-((2R,5R)-5-((1R)-1-hydroxyundecyl)oxolan-2-yl)oxolan-2-yl)tridecyl)-2-methyl-2H-furan-5-one
    • (2S)-4-[(4R,13R)-4,13-dihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
    • RefChem:917706
    • bullacin
    • CHEMBL448511
    • SCHEMBL29930826
    • DTXSID501101004
    • 210230-74-3
    • (5S)-3-[(4R,13R)-4,13-Dihydroxy-13-[(2R,2a(2)R,5R,5a(2)R)-octahydro-5a(2)-[(1R)-1-hydroxyundecyl][2,2a(2)-bifuran]-5-yl]tridecyl]-5-methyl-2(5H)-furanone
    • 210230-74-3

  • Applications

    Bullacin B (CAS 210230-74-3) is viewed for a range of industrial applications, where it may serve as a chemical-synthesis intermediate and as a process solvent. In fragrance, cosmetics and personal care, it can be evaluated as an odorant ingredient or fixative. In coatings and inks, it may function as a processing additive or specialty component. In polymers and plastics, it may be used as a processing aid or plasticizer. In cleaning formulations and household products, it can be employed as a specialty solvent or formulatory ingredient, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.66
    methanol 14.95
    isopropanol 6.97
    water 0.17
    ethyl acetate 37.04
    n-propanol 15.56
    acetone 30.32
    n-butanol 16.21
    acetonitrile 9.2
    DMF 50.02
    toluene 16.2
    isobutanol 10.64
    1,4-dioxane 50.21
    methyl acetate 27.48
    THF 137.55
    2-butanone 43.0
    n-pentanol 14.4
    sec-butanol 13.1
    n-hexane 1.27
    ethylene glycol 2.04
    NMP 194.77
    cyclohexane 2.59
    DMSO 62.76
    n-butyl acetate 27.56
    n-octanol 18.37
    chloroform 122.96
    n-propyl acetate 28.71
    acetic acid 49.23
    dichloromethane 117.94
    cyclohexanone 107.76
    propylene glycol 5.06
    isopropyl acetate 29.65
    DMAc 143.57
    2-ethoxyethanol 41.26
    isopentanol 13.76
    n-heptane 1.5
    ethyl formate 25.6
    1,2-dichloroethane 52.27
    n-hexanol 12.0
    2-methoxyethanol 44.68
    isobutyl acetate 18.5
    tetrachloromethane 18.12
    n-pentyl acetate 60.77
    transcutol 159.1
    n-heptanol 18.49
    ethylbenzene 10.56
    MIBK 27.2
    2-propoxyethanol 45.26
    tert-butanol 8.06
    MTBE 15.79
    2-butoxyethanol 60.24
    propionic acid 29.19
    o-xylene 13.93
    formic acid 20.57
    diethyl ether 16.69
    m-xylene 11.69
    p-xylene 11.15
    chlorobenzene 29.42
    dimethyl carbonate 24.94
    n-octane 1.02
    formamide 25.74
    cyclopentanone 125.14
    2-pentanone 39.83
    anisole 23.25
    cyclopentyl methyl ether 56.35
    gamma-butyrolactone 152.06
    1-methoxy-2-propanol 40.87
    pyridine 56.08
    3-pentanone 37.16
    furfural 106.83
    n-dodecane 0.82
    diethylene glycol 19.3
    diisopropyl ether 6.1
    tert-amyl alcohol 14.98
    acetylacetone 57.24
    n-hexadecane 0.97
    acetophenone 37.27
    methyl propionate 39.67
    isopentyl acetate 30.03
    trichloroethylene 129.88
    n-nonanol 19.97
    cyclohexanol 24.39
    benzyl alcohol 22.74
    2-ethylhexanol 10.99
    isooctanol 15.73
    dipropyl ether 15.44
    1,2-dichlorobenzene 35.93
    ethyl lactate 24.53
    propylene carbonate 79.43
    n-methylformamide 29.15
    2-pentanol 11.17
    n-pentane 1.24
    1-propoxy-2-propanol 37.52
    1-methoxy-2-propyl acetate 50.87
    2-(2-methoxypropoxy) propanol 50.33
    mesitylene 6.48
    ε-caprolactone 141.56
    p-cymene 7.93
    epichlorohydrin 134.73
    1,1,1-trichloroethane 47.14
    2-aminoethanol 8.04
    morpholine-4-carbaldehyde 125.3
    sulfolane 214.26
    2,2,4-trimethylpentane 1.52
    2-methyltetrahydrofuran 79.85
    n-hexyl acetate 58.24
    isooctane 0.7
    2-(2-butoxyethoxy)ethanol 69.78
    sec-butyl acetate 23.67
    tert-butyl acetate 34.74
    decalin 2.4
    glycerin 12.0
    diglyme 130.14
    acrylic acid 27.63
    isopropyl myristate 15.85
    n-butyric acid 55.72
    acetyl acetate 32.01
    di(2-ethylhexyl) phthalate 21.17
    ethyl propionate 29.7
    nitromethane 73.37
    1,2-diethoxyethane 41.29
    benzonitrile 21.22
    trioctyl phosphate 15.83
    1-bromopropane 24.3
    gamma-valerolactone 220.63
    n-decanol 11.24
    triethyl phosphate 21.33
    4-methyl-2-pentanol 7.81
    propionitrile 10.9
    vinylene carbonate 72.53
    1,1,2-trichlorotrifluoroethane 124.42
    DMS 32.92
    cumene 7.58
    2-octanol 13.14
    2-hexanone 30.19
    octyl acetate 25.05
    limonene 12.18
    1,2-dimethoxyethane 52.64
    ethyl orthosilicate 21.4
    tributyl phosphate 18.46
    diacetone alcohol 42.49
    N,N-dimethylaniline 19.02
    acrylonitrile 15.06
    aniline 20.83
    1,3-propanediol 14.9
    bromobenzene 31.05
    dibromomethane 60.71
    1,1,2,2-tetrachloroethane 110.07
    2-methyl-cyclohexyl acetate 31.78
    tetrabutyl urea 26.15
    diisobutyl methanol 6.43
    2-phenylethanol 21.15
    styrene 10.46
    dioctyl adipate 31.04
    dimethyl sulfate 63.74
    ethyl butyrate 28.44
    methyl lactate 33.21
    butyl lactate 50.78
    diethyl carbonate 17.22
    propanediol butyl ether 42.83
    triethyl orthoformate 29.71
    p-tert-butyltoluene 7.26
    methyl 4-tert-butylbenzoate 61.78
    morpholine 75.44
    tert-butylamine 4.44
    n-dodecanol 6.71
    dimethoxymethane 46.38
    ethylene carbonate 62.17
    cyrene 62.4
    2-ethoxyethyl acetate 85.5
    2-ethylhexyl acetate 25.89
    1,2,4-trichlorobenzene 47.76
    4-methylpyridine 44.97
    dibutyl ether 19.72
    2,6-dimethyl-4-heptanol 6.43
    DEF 60.37
    dimethyl isosorbide 89.4
    tetrachloroethylene 71.34
    eugenol 50.34
    triacetin 77.62
    span 80 48.36
    1,4-butanediol 7.16
    1,1-dichloroethane 37.13
    2-methyl-1-pentanol 15.23
    methyl formate 22.69
    2-methyl-1-butanol 16.53
    n-decane 2.07
    butyronitrile 12.39
    3,7-dimethyl-1-octanol 14.67
    1-chlorooctane 12.38
    1-chlorotetradecane 3.19
    n-nonane 1.67
    undecane 1.22
    tert-butylcyclohexane 1.62
    cyclooctane 1.43
    cyclopentanol 27.95
    tetrahydropyran 55.66
    tert-amyl methyl ether 22.56
    2,5,8-trioxanonane 74.85
    1-hexene 5.23
    2-isopropoxyethanol 29.96
    2,2,2-trifluoroethanol 33.1
    methyl butyrate 39.62

    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