Albanol B

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  • Identifiers

    CAS number
    87084-99-9

    Molecular formula
    C34H22O8

    SMILES
    CC1=CC2=C3C(=C1)C4=C(C=C(C=C4OC3(OC5=C2C=CC(=C5)O)C6=C(C=C(C=C6)O)O)C7=CC8=C(O7)C=C(C=C8)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 58.91%
    Odorless 34.82%
    Fruity 31.37%
    Animal 26.81%
    Medicinal 26.7%
    Spicy 25.94%
    Burnt 25.74%
    Smoky 23.55%
    Sweet 22.72%
    Balsamic 20.5%

     

    Flavor
    Bitter 97.35%
    Cedarleaf 18.99%
    Very strong 18.91%
    Sweet-like 18.88%
    Indole 18.75%
    Bland 18.71%
    Parsley 18.08%
    Odorless 17.95%
    Nitrile 17.84%
    Lovage 17.76%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.7

    pKa est.
    8.99 (weak base)

    Molecular weight
    558.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1860°C

    Melting point expt.

    • 248 °C

    Flash point

    • 328.84 ˚C est.

  • Synonyms

    • Albanol B
    • 87084-99-9
    • 1-(2,4-dihydroxyphenyl)-17-(6-hydroxy-1-benzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14,16,18-nonaene-5,15-diol
    • 1-(2,4-dihydroxyphenyl)-17-(6-hydroxy-1-benzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo(11.7.1.03,8.09,21.014,19)henicosa-3(8),4,6,9(21),10,12,14,16,18-nonaene-5,15-diol
    • 1-(2,4-dihydroxyphenyl)-17-(6-hydroxybenzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo(11.7.1.03,8.09,21.014,19)henicosa-3(8),4,6,9(21),10,12,14,16,18-nonaene-5,15-diol
    • 1-(2,4-dihydroxyphenyl)-17-(6-hydroxybenzofuran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14,16,18-nonaene-5,15-diol
    • RefChem:110533
    • 8aH-Benzo(3,4)(2)benzopyrano(1,8-bc)(1)-benzopyran-4,11-diol, 8a-(2,4-dihydroxyphenyl)-6-(6-hydroxy-2-benzofuranyl)-2-methyl-, (8aR)-
    • 8aH-Benzo[3,4][2]benzopyrano[1,8-bc][1]-benzopyran-4,11-diol, 8a-(2,4-dihydroxyphenyl)-6-(6-hydroxy-2-benzofuranyl)-2-methyl-, (8aR)-
    • SCHEMBL12484454
    • CHEBI:166598
    • DTXSID901007329
    • DA-60876
    • E80536
    • 1-(2,4-dihydroxyphenyl)-17-(6-hydroxy-1-benzouran-2-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9(21),10,12,14,16,18-nonaene-5,15-diol
    • 8a-(2,4-Dihydroxyphenyl)-6-(6-hydroxy-1-benzofuran-2-yl)-2-methyl-8aH-benzo[c][1]benzopyrano[4,3,2-ij][2]benzopyran-4,11-diol
    • 87084-99-9

  • Applications

    Albanol B (CAS 87084-99-9) is an alcohol that may have utility across several industries. In perfumery, it may function as an odorant or contribute to fragrance profiles. In cosmetics and personal care, it may be used as a fragrance ingredient or scent additive. In household cleaners, it may be evaluated for odor-contributing roles in detergents and air fresheners. In the flavor/aroma sector, it may be considered for aroma applications where permitted by regulations. In industrial manufacturing and organic synthesis, Albanol B can serve as an intermediate or precursor in chemical syntheses and may act as a processing aid or formulation component, depending on properties and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.54
    methanol 1.39
    isopropanol 0.22
    water 0.01
    ethyl acetate 0.44
    n-propanol 0.57
    acetone 1.06
    n-butanol 0.36
    acetonitrile 0.27
    DMF 13.78
    toluene 0.08
    isobutanol 0.25
    1,4-dioxane 2.71
    methyl acetate 0.86
    THF 7.08
    2-butanone 1.57
    n-pentanol 0.29
    sec-butanol 0.27
    n-hexane 0.0
    ethylene glycol 1.58
    NMP 8.76
    cyclohexane 0.0
    DMSO 15.24
    n-butyl acetate 0.55
    n-octanol 0.39
    chloroform 0.6
    n-propyl acetate 0.52
    acetic acid 3.71
    dichloromethane 0.44
    cyclohexanone 2.0
    propylene glycol 2.5
    isopropyl acetate 0.29
    DMAc 12.17
    2-ethoxyethanol 4.47
    isopentanol 0.23
    n-heptane 0.0
    ethyl formate 1.05
    1,2-dichloroethane 0.26
    n-hexanol 0.15
    2-methoxyethanol 11.65
    isobutyl acetate 0.3
    tetrachloromethane 0.03
    n-pentyl acetate 0.96
    transcutol 18.06
    n-heptanol 0.32
    ethylbenzene 0.04
    MIBK 0.35
    2-propoxyethanol 5.64
    tert-butanol 0.15
    MTBE 0.11
    2-butoxyethanol 4.37
    propionic acid 1.65
    o-xylene 0.04
    formic acid 4.54
    diethyl ether 0.14
    m-xylene 0.04
    p-xylene 0.05
    chlorobenzene 0.13
    dimethyl carbonate 1.44
    n-octane 0.0
    formamide 5.0
    cyclopentanone 4.65
    2-pentanone 0.72
    anisole 0.42
    cyclopentyl methyl ether 0.44
    gamma-butyrolactone 6.48
    1-methoxy-2-propanol 6.97
    pyridine 2.23
    3-pentanone 0.49
    furfural 8.03
    n-dodecane 0.01
    diethylene glycol 6.03
    diisopropyl ether 0.02
    tert-amyl alcohol 0.19
    acetylacetone 1.74
    n-hexadecane 0.01
    acetophenone 0.78
    methyl propionate 1.0
    isopentyl acetate 0.46
    trichloroethylene 1.37
    n-nonanol 0.46
    cyclohexanol 0.19
    benzyl alcohol 0.79
    2-ethylhexanol 0.11
    isooctanol 0.23
    dipropyl ether 0.27
    1,2-dichlorobenzene 0.11
    ethyl lactate 1.35
    propylene carbonate 1.79
    n-methylformamide 5.32
    2-pentanol 0.12
    n-pentane 0.0
    1-propoxy-2-propanol 3.7
    1-methoxy-2-propyl acetate 2.37
    2-(2-methoxypropoxy) propanol 5.81
    mesitylene 0.02
    ε-caprolactone 2.36
    p-cymene 0.04
    epichlorohydrin 6.01
    1,1,1-trichloroethane 0.09
    2-aminoethanol 2.08
    morpholine-4-carbaldehyde 15.27
    sulfolane 13.41
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.93
    n-hexyl acetate 1.07
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 8.11
    sec-butyl acetate 0.25
    tert-butyl acetate 0.36
    decalin 0.0
    glycerin 9.71
    diglyme 11.54
    acrylic acid 3.28
    isopropyl myristate 0.42
    n-butyric acid 1.37
    acetyl acetate 0.39
    di(2-ethylhexyl) phthalate 1.06
    ethyl propionate 0.44
    nitromethane 6.82
    1,2-diethoxyethane 1.81
    benzonitrile 0.47
    trioctyl phosphate 0.58
    1-bromopropane 0.07
    gamma-valerolactone 22.44
    n-decanol 0.3
    triethyl phosphate 0.34
    4-methyl-2-pentanol 0.07
    propionitrile 0.38
    vinylene carbonate 2.28
    1,1,2-trichlorotrifluoroethane 15.22
    DMS 1.14
    cumene 0.02
    2-octanol 0.19
    2-hexanone 0.64
    octyl acetate 0.72
    limonene 0.04
    1,2-dimethoxyethane 5.58
    ethyl orthosilicate 0.3
    tributyl phosphate 0.59
    diacetone alcohol 1.57
    N,N-dimethylaniline 0.25
    acrylonitrile 1.15
    aniline 0.36
    1,3-propanediol 2.77
    bromobenzene 0.09
    dibromomethane 0.14
    1,1,2,2-tetrachloroethane 1.04
    2-methyl-cyclohexyl acetate 0.48
    tetrabutyl urea 1.18
    diisobutyl methanol 0.07
    2-phenylethanol 0.61
    styrene 0.05
    dioctyl adipate 1.23
    dimethyl sulfate 3.13
    ethyl butyrate 0.51
    methyl lactate 3.93
    butyl lactate 2.43
    diethyl carbonate 0.34
    propanediol butyl ether 6.7
    triethyl orthoformate 0.67
    p-tert-butyltoluene 0.04
    methyl 4-tert-butylbenzoate 1.69
    morpholine 3.74
    tert-butylamine 0.03
    n-dodecanol 0.2
    dimethoxymethane 4.84
    ethylene carbonate 1.32
    cyrene 5.98
    2-ethoxyethyl acetate 2.97
    2-ethylhexyl acetate 0.34
    1,2,4-trichlorobenzene 0.27
    4-methylpyridine 0.9
    dibutyl ether 0.35
    2,6-dimethyl-4-heptanol 0.07
    DEF 1.6
    dimethyl isosorbide 7.56
    tetrachloroethylene 0.46
    eugenol 2.72
    triacetin 2.88
    span 80 4.58
    1,4-butanediol 0.92
    1,1-dichloroethane 0.12
    2-methyl-1-pentanol 0.21
    methyl formate 4.42
    2-methyl-1-butanol 0.26
    n-decane 0.01
    butyronitrile 0.28
    3,7-dimethyl-1-octanol 0.24
    1-chlorooctane 0.07
    1-chlorotetradecane 0.03
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.4
    tetrahydropyran 0.6
    tert-amyl methyl ether 0.14
    2,5,8-trioxanonane 8.4
    1-hexene 0.02
    2-isopropoxyethanol 1.88
    2,2,2-trifluoroethanol 1.38
    methyl butyrate 0.74

    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