4-((2E)-3,7-Dimethyl-2,6-octadien-1-yl)-5-(6-hydroxy-2-benzofuranyl)-1,3-benzenediol

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  • Identifiers

    CAS number
    84323-14-8

    Molecular formula
    C24H26O4

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 50.73%
    Spicy 35.23%
    Phenolic 34.94%
    Woody 26.31%
    Floral 25.22%
    Animal 25.2%
    Balsamic 22.93%
    Dry 22.76%
    Odorless 22.67%
    Burnt 22.48%

     

    Flavor
    Bitter 71.46%
    Cedarleaf 20.28%
    Parsley 20.08%
    Lovage 20.02%
    Woody 19.57%
    Thymol 19.57%
    Oriental 19.29%
    Nitrile 19.27%
    Diterpene 19.18%
    Heather 19.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.7

    pKa est.
    10.46 (weak base)

    Molecular weight
    378.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    641°C

    Melting point expt.

    • 150 - 150.5 °C

    Flash point

    • 246.94 ˚C est.

  • Synonyms

    • Albafuran A
    • 84323-14-8
    • YU653W6RVU
    • 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
    • CHEBI:2543
    • DTXSID701129044
    • 4-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
    • 4-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-5-(6-hydroxy-2-benzofuranyl)-1,3-benzenediol
    • 4-((2E)-3,7-Dimethyl-2,6-octadien-1-yl)-5-(6-hydroxy-2-benzofuranyl)-1,3-benzenediol
    • 4-((2E)-3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
    • 4-((2E)-3,7-dimethylocta-2,6-dien-1-yl)-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
    • RefChem:1069636
    • DTXCID501560541
    • CHEMBL564896
    • 1,3-Benzenediol, 4-((2E)-3,7-dimethyl-2,6-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-
    • 1,3-Benzenediol, 4-[(2E)-3,7-dimethyl-2,6-octadienyl]-5-(6-hydroxy-2-benzofuranyl)-
    • C08732
    • SCHEMBL29794140
    • SCHEMBL30496152
    • BDBM50303002
    • Q27105716
    • 1,3-Benzenediol, 4-(3,7-dimethyl-2,6-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-, (E)-
    • 1,3-Benzenediol, 4-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-5-(6-hydroxy-2-benzofuranyl)-
    • 2-[3,5-Dihydroxy-2-(3,7-dimethyl-2,6-octadienyl)phenyl]-6-hydroxybenzofuran
    • 4-((2E)-3,7-Dimethyl-2,6-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-1,3-benzenediol
    • 4-(3,7-Dimethyl-2,6-octadienyl)-5-(6-hydroxy-2-benzofuranyl)-1,3-benzenediol, 9CI
    • 4-(3,7-dimethylocta-2,6-dienyl)-5-(6-oxidanyl-1-benzofuran-2-yl)benzene-1,3-diol
    • 84323-14-8

  • Applications

    For reference, chemical name: 4-((2E)-3,7-Dimethyl-2,6-octadien-1-yl)-5-(6-hydroxy-2-benzofuranyl)-1,3-benzenediol, CAS 84323-14-8. The compound is viewed as an intermediate and/or functional additive with potential applications across industries, including: as an intermediate in organic synthesis; as an antioxidant or stabilizer for polymers, plastics, and coatings; as a fragrance component or aroma precursor in perfumery; as a cosmetic/personal care ingredient (antioxidant or possible colorant); and as a subject of research in polyphenol chemistry for cosmetic or pharmaceutical development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.43
    methanol 9.89
    isopropanol 6.0
    water 0.0
    ethyl acetate 7.96
    n-propanol 11.5
    acetone 7.79
    n-butanol 9.48
    acetonitrile 1.73
    DMF 12.46
    toluene 1.74
    isobutanol 5.55
    1,4-dioxane 20.36
    methyl acetate 8.33
    THF 86.43
    2-butanone 21.65
    n-pentanol 7.8
    sec-butanol 10.43
    n-hexane 0.06
    ethylene glycol 0.95
    NMP 6.06
    cyclohexane 0.08
    DMSO 29.93
    n-butyl acetate 5.37
    n-octanol 3.19
    chloroform 12.16
    n-propyl acetate 5.33
    acetic acid 8.59
    dichloromethane 6.57
    cyclohexanone 12.19
    propylene glycol 5.91
    isopropyl acetate 6.08
    DMAc 39.38
    2-ethoxyethanol 28.3
    isopentanol 7.79
    n-heptane 0.06
    ethyl formate 2.93
    1,2-dichloroethane 3.65
    n-hexanol 4.47
    2-methoxyethanol 42.12
    isobutyl acetate 4.16
    tetrachloromethane 0.45
    n-pentyl acetate 5.97
    transcutol 125.3
    n-heptanol 3.23
    ethylbenzene 1.01
    MIBK 6.51
    2-propoxyethanol 27.74
    tert-butanol 5.9
    MTBE 7.99
    2-butoxyethanol 15.65
    propionic acid 5.6
    o-xylene 0.84
    formic acid 2.58
    diethyl ether 5.34
    m-xylene 0.82
    p-xylene 1.15
    chlorobenzene 1.54
    dimethyl carbonate 2.97
    n-octane 0.04
    formamide 4.62
    cyclopentanone 14.57
    2-pentanone 10.32
    anisole 7.31
    cyclopentyl methyl ether 6.33
    gamma-butyrolactone 10.12
    1-methoxy-2-propanol 34.52
    pyridine 14.52
    3-pentanone 7.34
    furfural 9.23
    n-dodecane 0.06
    diethylene glycol 11.38
    diisopropyl ether 0.83
    tert-amyl alcohol 10.07
    acetylacetone 11.99
    n-hexadecane 0.07
    acetophenone 6.06
    methyl propionate 7.82
    isopentyl acetate 6.99
    trichloroethylene 14.13
    n-nonanol 4.02
    cyclohexanol 4.17
    benzyl alcohol 5.81
    2-ethylhexanol 2.31
    isooctanol 2.95
    dipropyl ether 3.38
    1,2-dichlorobenzene 1.44
    ethyl lactate 4.24
    propylene carbonate 3.86
    n-methylformamide 4.55
    2-pentanol 4.94
    n-pentane 0.05
    1-propoxy-2-propanol 19.1
    1-methoxy-2-propyl acetate 16.68
    2-(2-methoxypropoxy) propanol 25.85
    mesitylene 0.36
    ε-caprolactone 12.04
    p-cymene 0.69
    epichlorohydrin 30.61
    1,1,1-trichloroethane 2.51
    2-aminoethanol 4.85
    morpholine-4-carbaldehyde 17.76
    sulfolane 14.22
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 19.82
    n-hexyl acetate 8.01
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 36.74
    sec-butyl acetate 5.02
    tert-butyl acetate 8.4
    decalin 0.09
    glycerin 8.7
    diglyme 56.19
    acrylic acid 3.95
    isopropyl myristate 3.79
    n-butyric acid 9.35
    acetyl acetate 3.81
    di(2-ethylhexyl) phthalate 4.72
    ethyl propionate 5.46
    nitromethane 12.59
    1,2-diethoxyethane 21.33
    benzonitrile 2.17
    trioctyl phosphate 2.63
    1-bromopropane 2.28
    gamma-valerolactone 33.29
    n-decanol 2.65
    triethyl phosphate 2.98
    4-methyl-2-pentanol 3.03
    propionitrile 2.86
    vinylene carbonate 3.75
    1,1,2-trichlorotrifluoroethane 23.3
    DMS 5.63
    cumene 0.65
    2-octanol 2.28
    2-hexanone 9.28
    octyl acetate 4.86
    limonene 0.89
    1,2-dimethoxyethane 37.5
    ethyl orthosilicate 3.49
    tributyl phosphate 3.08
    diacetone alcohol 15.88
    N,N-dimethylaniline 3.7
    acrylonitrile 3.17
    aniline 3.78
    1,3-propanediol 11.83
    bromobenzene 1.31
    dibromomethane 2.99
    1,1,2,2-tetrachloroethane 13.22
    2-methyl-cyclohexyl acetate 5.4
    tetrabutyl urea 5.02
    diisobutyl methanol 1.66
    2-phenylethanol 5.79
    styrene 1.21
    dioctyl adipate 7.69
    dimethyl sulfate 4.57
    ethyl butyrate 4.67
    methyl lactate 6.02
    butyl lactate 7.4
    diethyl carbonate 2.74
    propanediol butyl ether 16.37
    triethyl orthoformate 5.81
    p-tert-butyltoluene 0.71
    methyl 4-tert-butylbenzoate 9.06
    morpholine 37.23
    tert-butylamine 1.73
    n-dodecanol 1.74
    dimethoxymethane 18.73
    ethylene carbonate 2.83
    cyrene 12.69
    2-ethoxyethyl acetate 16.22
    2-ethylhexyl acetate 4.83
    1,2,4-trichlorobenzene 2.99
    4-methylpyridine 7.01
    dibutyl ether 4.49
    2,6-dimethyl-4-heptanol 1.66
    DEF 9.52
    dimethyl isosorbide 28.11
    tetrachloroethylene 4.75
    eugenol 10.25
    triacetin 11.55
    span 80 16.37
    1,4-butanediol 3.24
    1,1-dichloroethane 2.89
    2-methyl-1-pentanol 8.17
    methyl formate 2.6
    2-methyl-1-butanol 8.45
    n-decane 0.11
    butyronitrile 3.17
    3,7-dimethyl-1-octanol 4.08
    1-chlorooctane 0.94
    1-chlorotetradecane 0.35
    n-nonane 0.08
    undecane 0.08
    tert-butylcyclohexane 0.09
    cyclooctane 0.03
    cyclopentanol 4.58
    tetrahydropyran 17.13
    tert-amyl methyl ether 7.24
    2,5,8-trioxanonane 41.29
    1-hexene 0.56
    2-isopropoxyethanol 16.02
    2,2,2-trifluoroethanol 1.37
    methyl butyrate 6.51

    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