1-Methoxyficifolinol

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  • Identifiers

    CAS number
    129280-35-9

    Molecular formula
    C26H30O5

    SMILES
    CC(=CCC1=CC2=C(C=C1O)O[C@@H]3[C@H]2COC4=C3C(=C(C(=C4)O)CC=C(C)C)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 52.99%
    Phenolic 36.89%
    Sweet 29.98%
    Woody 29.03%
    Fruity 25.58%
    Balsamic 25.55%
    Herbal 24.67%
    Smoky 24.43%
    Warm 21.9%
    Dry 21.13%

     

    Flavor
    Bitter 79.27%
    Parsley 20.0%
    Cedarleaf 19.95%
    Lovage 19.42%
    Bland 18.81%
    Eugenol 17.99%
    Basil 17.97%
    Ripe apricot 17.84%
    Outdoor 17.84%
    Thymol 17.84%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    8.68 (weak base)

    Molecular weight
    422.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1082°C

    Flash point

    • 228.18 ˚C est.

  • Synonyms

    • 1-Methoxyficifolinol
    • U4JQ9U5MEF
    • 129280-35-9
    • CHEBI:69096
    • DTXSID901315138
    • (6aR,11aR)-1-Methoxy-2,8-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-(1)benzofuro(3,2-C)chromene-3,9-diol
    • (6aR,11aR)-1-methoxy-2,8-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
    • RefChem:25808
    • GlyTouCan:G67040OT
    • DTXCID301745046
    • G67040OT
    • CHEMBL4647021
    • (6aR,11aR)-1-Methoxy-8-(3-methyl-but-2-enyl)-2-(3-methyl-but-2-enyl)-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol
    • (6aR,11aR)-6a,11a-Dihydro-1-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-6H-benzofuro(3,2-C)(1)benzopyran-3,9-diol
    • 6H-Benzofuro(3,2-C)(1)benzopyran-3,9-diol, 6a,11a-dihydro-1-methoxy-2,8-bis(3-methyl-2-buten-1-yl)-, (6aR,11aR)-
    • 6H-Benzofuro(3,2-C)(1)benzopyran-3,9-diol, 6a,11a-dihydro-1-methoxy-2,8-bis(3-methyl-2-butenyl)-, (6ar-cis)-
    • 3,9-Dihydroxy-1-methoxy-2,8-diprenylpterocarpan
    • UNII-U4JQ9U5MEF
    • BDBM50539737
    • (6ar,11ar)-1-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6h-[1]benzofuro[3,2-c]chromene-3,9-diol
    • Q27137437
    • (6aR,11aR)-1-Methoxy-2,8-bis(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c][1]benzopyran-3,9-diol
    • (6aR,11aR)-1-methoxy-2,8-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-benzofuro[3,2-c]chromene-3,9-diol
    • 6H-benzofuro[3,2-c][1]benzopyran-3,9-diol, 6a,11a-dihydro-1-methoxy-2,8-bis(3-methyl-2-butenyl)-, (6aR,11aR)-
    • InChI=1/C26H30O5/c1-14(2)6-8-16-10-18-19-13-30-23-12-21(28)17(9-7-15(3)4)25(29-5)24(23)26(19)31-22(18)11-20(16)27/h6-7,10-12,19,26-28H,8-9,13H2,1-5H3/t19-,26+/m0/s
    • rel-(6aR,11aR)-1-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
    • 129280-35-9

  • Applications

    1-Methoxyficifolinol is primarily used as an organic intermediate in fine chemical synthesis. In industrial practice, it serves as a building block for fragrance and flavor compounds, acting as a precursor in the preparation of aroma-active molecules used in perfumery and taste applications. It may also find use in cosmetics and personal care as an intermediate or ingredient in fragrance-containing formulations. Additionally, it is evaluated as a specialty chemical building block for various industrial syntheses and can be used as a starting material in polymer or materials-related applications. Its use remains subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.56
    methanol 6.89
    isopropanol 8.85
    water 0.03
    ethyl acetate 46.5
    n-propanol 11.36
    acetone 68.21
    n-butanol 11.66
    acetonitrile 17.13
    DMF 70.32
    toluene 22.66
    isobutanol 10.31
    1,4-dioxane 74.68
    methyl acetate 49.22
    THF 165.65
    2-butanone 65.45
    n-pentanol 13.3
    sec-butanol 8.18
    n-hexane 0.74
    ethylene glycol 2.84
    NMP 103.05
    cyclohexane 1.57
    DMSO 99.39
    n-butyl acetate 39.61
    n-octanol 12.21
    chloroform 242.18
    n-propyl acetate 37.9
    acetic acid 57.08
    dichloromethane 159.16
    cyclohexanone 100.54
    propylene glycol 5.26
    isopropyl acetate 37.63
    DMAc 169.81
    2-ethoxyethanol 34.13
    isopentanol 14.57
    n-heptane 0.98
    ethyl formate 26.93
    1,2-dichloroethane 85.84
    n-hexanol 14.25
    2-methoxyethanol 39.25
    isobutyl acetate 34.75
    tetrachloromethane 18.27
    n-pentyl acetate 39.4
    transcutol 122.31
    n-heptanol 13.22
    ethylbenzene 10.93
    MIBK 36.28
    2-propoxyethanol 60.19
    tert-butanol 15.62
    MTBE 17.79
    2-butoxyethanol 44.93
    propionic acid 27.16
    o-xylene 12.65
    formic acid 12.04
    diethyl ether 17.38
    m-xylene 13.91
    p-xylene 18.11
    chlorobenzene 43.47
    dimethyl carbonate 46.61
    n-octane 0.6
    formamide 18.32
    cyclopentanone 127.43
    2-pentanone 45.98
    anisole 29.8
    cyclopentyl methyl ether 43.5
    gamma-butyrolactone 130.76
    1-methoxy-2-propanol 37.63
    pyridine 74.98
    3-pentanone 46.19
    furfural 97.81
    n-dodecane 0.86
    diethylene glycol 35.91
    diisopropyl ether 6.84
    tert-amyl alcohol 11.77
    acetylacetone 80.0
    n-hexadecane 1.04
    acetophenone 44.04
    methyl propionate 46.95
    isopentyl acetate 43.87
    trichloroethylene 230.73
    n-nonanol 13.73
    cyclohexanol 16.18
    benzyl alcohol 30.44
    2-ethylhexanol 12.7
    isooctanol 13.68
    dipropyl ether 16.28
    1,2-dichlorobenzene 46.98
    ethyl lactate 26.03
    propylene carbonate 70.28
    n-methylformamide 24.29
    2-pentanol 7.79
    n-pentane 0.63
    1-propoxy-2-propanol 43.42
    1-methoxy-2-propyl acetate 64.82
    2-(2-methoxypropoxy) propanol 47.93
    mesitylene 8.07
    ε-caprolactone 80.2
    p-cymene 10.01
    epichlorohydrin 163.03
    1,1,1-trichloroethane 88.96
    2-aminoethanol 6.53
    morpholine-4-carbaldehyde 112.21
    sulfolane 154.97
    2,2,4-trimethylpentane 0.77
    2-methyltetrahydrofuran 60.29
    n-hexyl acetate 41.39
    isooctane 0.64
    2-(2-butoxyethoxy)ethanol 59.41
    sec-butyl acetate 30.11
    tert-butyl acetate 40.96
    decalin 1.55
    glycerin 13.83
    diglyme 107.78
    acrylic acid 30.31
    isopropyl myristate 19.84
    n-butyric acid 44.78
    acetyl acetate 54.88
    di(2-ethylhexyl) phthalate 25.6
    ethyl propionate 33.31
    nitromethane 105.91
    1,2-diethoxyethane 44.94
    benzonitrile 33.26
    trioctyl phosphate 18.58
    1-bromopropane 28.68
    gamma-valerolactone 178.11
    n-decanol 9.84
    triethyl phosphate 24.89
    4-methyl-2-pentanol 9.12
    propionitrile 20.24
    vinylene carbonate 71.83
    1,1,2-trichlorotrifluoroethane 130.31
    DMS 48.8
    cumene 8.66
    2-octanol 8.79
    2-hexanone 41.19
    octyl acetate 25.04
    limonene 11.42
    1,2-dimethoxyethane 67.96
    ethyl orthosilicate 23.46
    tributyl phosphate 22.67
    diacetone alcohol 48.66
    N,N-dimethylaniline 22.23
    acrylonitrile 28.51
    aniline 27.89
    1,3-propanediol 14.73
    bromobenzene 48.27
    dibromomethane 88.68
    1,1,2,2-tetrachloroethane 172.83
    2-methyl-cyclohexyl acetate 39.45
    tetrabutyl urea 30.3
    diisobutyl methanol 9.31
    2-phenylethanol 34.51
    styrene 13.49
    dioctyl adipate 34.39
    dimethyl sulfate 75.72
    ethyl butyrate 30.9
    methyl lactate 34.64
    butyl lactate 34.81
    diethyl carbonate 25.59
    propanediol butyl ether 32.29
    triethyl orthoformate 30.09
    p-tert-butyltoluene 9.25
    methyl 4-tert-butylbenzoate 45.59
    morpholine 71.01
    tert-butylamine 6.89
    n-dodecanol 7.34
    dimethoxymethane 71.15
    ethylene carbonate 61.75
    cyrene 61.78
    2-ethoxyethyl acetate 63.97
    2-ethylhexyl acetate 35.0
    1,2,4-trichlorobenzene 65.72
    4-methylpyridine 58.7
    dibutyl ether 15.31
    2,6-dimethyl-4-heptanol 9.31
    DEF 50.14
    dimethyl isosorbide 92.72
    tetrachloroethylene 93.0
    eugenol 44.63
    triacetin 60.68
    span 80 38.35
    1,4-butanediol 7.46
    1,1-dichloroethane 74.09
    2-methyl-1-pentanol 15.43
    methyl formate 27.32
    2-methyl-1-butanol 11.58
    n-decane 1.39
    butyronitrile 18.72
    3,7-dimethyl-1-octanol 14.07
    1-chlorooctane 7.97
    1-chlorotetradecane 3.79
    n-nonane 1.03
    undecane 1.06
    tert-butylcyclohexane 1.4
    cyclooctane 0.69
    cyclopentanol 20.98
    tetrahydropyran 51.4
    tert-amyl methyl ether 14.51
    2,5,8-trioxanonane 82.99
    1-hexene 4.21
    2-isopropoxyethanol 32.76
    2,2,2-trifluoroethanol 25.2
    methyl butyrate 41.71

    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