Albafuran B

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  • Identifiers

    CAS number
    84323-15-9

    Molecular formula
    C24H26O4

    SMILES
    CC(=CCC/C(=C/CC1=C(C=C(C=C1O)C2=CC3=C(O2)C=C(C=C3)O)O)/C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 47.79%
    Spicy 38.33%
    Phenolic 37.44%
    Woody 26.8%
    Animal 24.73%
    Balsamic 23.98%
    Floral 23.18%
    Odorless 23.17%
    Burnt 23.06%
    Dry 22.4%

     

    Flavor
    Bitter 70.53%
    Woody 20.47%
    Cedarleaf 20.32%
    Lovage 20.16%
    Parsley 20.12%
    Thymol 19.7%
    Nitrile 19.17%
    Diterpene 19.16%
    Oriental 19.16%
    Creosote 19.09%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.7

    pKa est.
    10.4 (weak base)

    Molecular weight
    378.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    599°C

    Melting point expt.

    • 158 - 158.5 °C

    Flash point

    • 239.75 ˚C est.

  • Synonyms

    • Albafuran B
    • SCHEMBL24074944
    • CHEBI:174998
    • DTXSID401129114
    • 2-[(2E)-3,7-DIMETHYLOCTA-2,6-DIEN-1-YL]-5-(6-HYDROXY-1-BENZOFURAN-2-YL)BENZENE-1,3-DIOL
    • 84323-15-9
    • 2-(3,7-Dimethyl-2,6-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-1,3-benzenediol, 9CI
    • 2-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-5-(6-hydroxy-2-benzofuranyl)-1,3-benzenediol
    • 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(6-hydroxy-1-benzouran-2-yl)benzene-1,3-diol
    • 2-[3,5-Dihydroxy-4-(3,7-dimethyl-2,6-octadienyl)phenyl]-6-hydroxybenzofuran
    • 84323-15-9

  • Applications

    Albafuran B (CAS 84323-15-9) is used mainly as a fragrance ingredient in perfumery and cosmetics, contributing a distinctive odor note and can function as a fixative to extend scent longevity; it is also applied in household and cleaning products as a fragrance component; in industrial manufacturing, it is evaluated for incorporation into fragrance formulations and product matrices to shape odor profiles; and it may be considered as an aroma compound in other consumer product applications under formulation controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.44
    methanol 8.38
    isopropanol 3.13
    water 0.0
    ethyl acetate 4.39
    n-propanol 6.26
    acetone 4.02
    n-butanol 5.57
    acetonitrile 1.14
    DMF 6.57
    toluene 1.09
    isobutanol 2.87
    1,4-dioxane 13.55
    methyl acetate 4.77
    THF 52.31
    2-butanone 10.58
    n-pentanol 4.94
    sec-butanol 5.39
    n-hexane 0.04
    ethylene glycol 0.68
    NMP 2.9
    cyclohexane 0.06
    DMSO 15.04
    n-butyl acetate 2.87
    n-octanol 2.32
    chloroform 8.74
    n-propyl acetate 3.09
    acetic acid 6.28
    dichloromethane 5.35
    cyclohexanone 5.99
    propylene glycol 3.34
    isopropyl acetate 3.35
    DMAc 20.18
    2-ethoxyethanol 18.54
    isopentanol 4.4
    n-heptane 0.04
    ethyl formate 1.88
    1,2-dichloroethane 2.35
    n-hexanol 2.69
    2-methoxyethanol 26.48
    isobutyl acetate 2.3
    tetrachloromethane 0.35
    n-pentyl acetate 3.94
    transcutol 98.61
    n-heptanol 2.31
    ethylbenzene 0.68
    MIBK 3.39
    2-propoxyethanol 17.72
    tert-butanol 3.44
    MTBE 4.42
    2-butoxyethanol 11.08
    propionic acid 3.45
    o-xylene 0.55
    formic acid 2.31
    diethyl ether 2.88
    m-xylene 0.56
    p-xylene 0.74
    chlorobenzene 0.93
    dimethyl carbonate 1.99
    n-octane 0.03
    formamide 4.23
    cyclopentanone 7.79
    2-pentanone 5.07
    anisole 4.69
    cyclopentyl methyl ether 3.68
    gamma-butyrolactone 6.16
    1-methoxy-2-propanol 20.71
    pyridine 8.58
    3-pentanone 3.79
    furfural 5.7
    n-dodecane 0.04
    diethylene glycol 8.02
    diisopropyl ether 0.48
    tert-amyl alcohol 5.86
    acetylacetone 6.64
    n-hexadecane 0.05
    acetophenone 3.74
    methyl propionate 4.39
    isopentyl acetate 3.91
    trichloroethylene 9.48
    n-nonanol 2.92
    cyclohexanol 2.38
    benzyl alcohol 3.66
    2-ethylhexanol 1.37
    isooctanol 2.07
    dipropyl ether 2.13
    1,2-dichlorobenzene 0.95
    ethyl lactate 2.55
    propylene carbonate 2.42
    n-methylformamide 2.99
    2-pentanol 2.72
    n-pentane 0.03
    1-propoxy-2-propanol 11.49
    1-methoxy-2-propyl acetate 9.4
    2-(2-methoxypropoxy) propanol 19.12
    mesitylene 0.26
    ε-caprolactone 6.46
    p-cymene 0.44
    epichlorohydrin 19.79
    1,1,1-trichloroethane 1.53
    2-aminoethanol 3.13
    morpholine-4-carbaldehyde 10.09
    sulfolane 7.55
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 10.54
    n-hexyl acetate 5.23
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 27.3
    sec-butyl acetate 2.86
    tert-butyl acetate 5.13
    decalin 0.06
    glycerin 5.64
    diglyme 42.55
    acrylic acid 2.64
    isopropyl myristate 2.38
    n-butyric acid 5.78
    acetyl acetate 2.46
    di(2-ethylhexyl) phthalate 3.44
    ethyl propionate 3.18
    nitromethane 8.67
    1,2-diethoxyethane 14.52
    benzonitrile 1.3
    trioctyl phosphate 1.68
    1-bromopropane 1.34
    gamma-valerolactone 18.46
    n-decanol 1.88
    triethyl phosphate 1.84
    4-methyl-2-pentanol 1.83
    propionitrile 1.78
    vinylene carbonate 2.39
    1,1,2-trichlorotrifluoroethane 14.69
    DMS 3.54
    cumene 0.4
    2-octanol 1.59
    2-hexanone 4.82
    octyl acetate 3.06
    limonene 0.51
    1,2-dimethoxyethane 24.79
    ethyl orthosilicate 2.21
    tributyl phosphate 1.93
    diacetone alcohol 9.67
    N,N-dimethylaniline 2.28
    acrylonitrile 2.05
    aniline 2.2
    1,3-propanediol 7.66
    bromobenzene 0.84
    dibromomethane 2.14
    1,1,2,2-tetrachloroethane 8.25
    2-methyl-cyclohexyl acetate 3.23
    tetrabutyl urea 3.09
    diisobutyl methanol 1.01
    2-phenylethanol 3.44
    styrene 0.78
    dioctyl adipate 4.93
    dimethyl sulfate 2.79
    ethyl butyrate 2.69
    methyl lactate 3.64
    butyl lactate 4.97
    diethyl carbonate 1.67
    propanediol butyl ether 11.41
    triethyl orthoformate 3.63
    p-tert-butyltoluene 0.46
    methyl 4-tert-butylbenzoate 6.16
    morpholine 21.81
    tert-butylamine 1.0
    n-dodecanol 1.22
    dimethoxymethane 11.76
    ethylene carbonate 1.78
    cyrene 8.29
    2-ethoxyethyl acetate 10.6
    2-ethylhexyl acetate 2.77
    1,2,4-trichlorobenzene 1.91
    4-methylpyridine 3.67
    dibutyl ether 2.96
    2,6-dimethyl-4-heptanol 1.01
    DEF 4.86
    dimethyl isosorbide 19.85
    tetrachloroethylene 3.36
    eugenol 7.34
    triacetin 7.89
    span 80 11.86
    1,4-butanediol 2.16
    1,1-dichloroethane 1.67
    2-methyl-1-pentanol 5.15
    methyl formate 1.87
    2-methyl-1-butanol 4.86
    n-decane 0.08
    butyronitrile 1.87
    3,7-dimethyl-1-octanol 2.72
    1-chlorooctane 0.63
    1-chlorotetradecane 0.24
    n-nonane 0.06
    undecane 0.06
    tert-butylcyclohexane 0.05
    cyclooctane 0.02
    cyclopentanol 2.49
    tetrahydropyran 9.39
    tert-amyl methyl ether 4.21
    2,5,8-trioxanonane 32.39
    1-hexene 0.31
    2-isopropoxyethanol 10.3
    2,2,2-trifluoroethanol 1.11
    methyl butyrate 3.77

    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