Planinin

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  • Identifiers

    CAS number
    68296-27-5

    Molecular formula
    C21H22O6

    SMILES
    COC1=C(C=C(C=C1)[C@@H]2[C@@H]3CO[C@H]([C@@H]3CO2)C4=CC5=C(C=C4)OCO5)OC

    Safety labels

  • Odor profile

    Fragrance
    Floral 58.41%
    Sweet 55.18%
    Vanilla 49.37%
    Spicy 38.95%
    Powdery 35.69%
    Aromatic 31.55%
    Anisic 28.99%
    Phenolic 26.85%
    Creamy 26.68%
    Balsamic 25.6%

     

    Flavor
    Bitter 88.89%
    Sweet-like 20.22%
    Naphthalic 20.21%
    Cedarleaf 19.67%
    Parsley 19.6%
    Cereal 18.99%
    Eugenol 18.7%
    Alkaline 18.36%
    Bland 18.3%
    Ripe apricot 18.27%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    5.8 (weak acid)

    Molecular weight
    370.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    612°C

    Flash point

    • 201.74 ˚C est.

  • Synonyms

    • Planinin
    • 5-[(3R,3aS,6S,6aS)-6-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-1,3-benzodioxole
    • 2-(3',4'-Dimethoxyphenyl)-6-(3'',4''-methylenedioxyphenyl)-3,7-dioxabicyclo(3,3,0)octane
    • 5-((3R,3aS,6S,6aS)-6-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro(3,4-c)furan-3-yl)-1,3-benzodioxole
    • RefChem:174728
    • 68296-27-5
    • Fargesin (Standard)
    • SCHEMBL31046742
    • CHEBI:80822
    • HY-N0719R
    • DTXSID50987817
    • HY-N0719
    • AC-34865
    • CS-0009736
    • C16957
    • Q27149865
    • 5-[4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2H-1,3-benzodioxole
    • 1,3-Benzodioxole, 5-(4-(3,4-dimethoxyphenyl)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-, (1S-(1alpha,3aalpha,4beta,6aalpha))-
    • 5-[(1R,3aS,4S,6aS)-4-(3,4-Dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2H-1,3-benzodioxole
    • 68296-27-5

  • Applications

    Planinin (CAS 68296-27-5) may be used as an intermediate in organic synthesis, a solvent or co-solvent in coatings, inks, and cleaning formulations; in the fragrance sector it can be considered an odorant or fixative for fragrance formulations; it may also be evaluated as a processing additive or stabilizer for polymers and plastics, with potential applications in manufacturing and formulation environments, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.96
    methanol 8.37
    isopropanol 5.55
    water 0.99
    ethyl acetate 35.22
    n-propanol 6.37
    acetone 38.27
    n-butanol 7.03
    acetonitrile 45.83
    DMF 66.64
    toluene 8.37
    isobutanol 5.55
    1,4-dioxane 43.97
    methyl acetate 33.03
    THF 80.69
    2-butanone 24.84
    n-pentanol 6.64
    sec-butanol 5.07
    n-hexane 0.39
    ethylene glycol 8.38
    NMP 47.53
    cyclohexane 1.09
    DMSO 77.29
    n-butyl acetate 16.39
    n-octanol 7.19
    chloroform 203.1
    n-propyl acetate 22.33
    acetic acid 72.98
    dichloromethane 192.89
    cyclohexanone 39.79
    propylene glycol 4.04
    isopropyl acetate 27.34
    DMAc 84.38
    2-ethoxyethanol 38.63
    isopentanol 8.87
    n-heptane 1.03
    ethyl formate 25.25
    1,2-dichloroethane 71.95
    n-hexanol 7.26
    2-methoxyethanol 45.71
    isobutyl acetate 17.33
    tetrachloromethane 15.29
    n-pentyl acetate 16.61
    transcutol 86.27
    n-heptanol 8.11
    ethylbenzene 4.61
    MIBK 21.97
    2-propoxyethanol 39.46
    tert-butanol 8.44
    MTBE 9.31
    2-butoxyethanol 30.05
    propionic acid 21.05
    o-xylene 5.83
    formic acid 47.36
    diethyl ether 13.13
    m-xylene 6.89
    p-xylene 6.06
    chlorobenzene 19.65
    dimethyl carbonate 47.86
    n-octane 0.7
    formamide 76.95
    cyclopentanone 63.52
    2-pentanone 24.0
    anisole 16.97
    cyclopentyl methyl ether 24.34
    gamma-butyrolactone 91.25
    1-methoxy-2-propanol 31.57
    pyridine 36.84
    3-pentanone 22.2
    furfural 81.62
    n-dodecane 0.79
    diethylene glycol 41.84
    diisopropyl ether 5.79
    tert-amyl alcohol 7.16
    acetylacetone 64.05
    n-hexadecane 0.9
    acetophenone 26.11
    methyl propionate 35.07
    isopentyl acetate 18.51
    trichloroethylene 192.2
    n-nonanol 8.46
    cyclohexanol 9.24
    benzyl alcohol 16.67
    2-ethylhexanol 6.74
    isooctanol 8.03
    dipropyl ether 11.15
    1,2-dichlorobenzene 28.61
    ethyl lactate 21.62
    propylene carbonate 44.99
    n-methylformamide 38.83
    2-pentanol 5.46
    n-pentane 0.49
    1-propoxy-2-propanol 24.71
    1-methoxy-2-propyl acetate 37.28
    2-(2-methoxypropoxy) propanol 33.85
    mesitylene 4.13
    ε-caprolactone 41.18
    p-cymene 5.45
    epichlorohydrin 126.85
    1,1,1-trichloroethane 53.31
    2-aminoethanol 9.57
    morpholine-4-carbaldehyde 77.78
    sulfolane 77.03
    2,2,4-trimethylpentane 0.57
    2-methyltetrahydrofuran 26.83
    n-hexyl acetate 18.67
    isooctane 0.44
    2-(2-butoxyethoxy)ethanol 37.3
    sec-butyl acetate 16.71
    tert-butyl acetate 26.54
    decalin 0.88
    glycerin 18.05
    diglyme 88.85
    acrylic acid 32.7
    isopropyl myristate 9.99
    n-butyric acid 31.11
    acetyl acetate 53.54
    di(2-ethylhexyl) phthalate 12.98
    ethyl propionate 24.63
    nitromethane 187.14
    1,2-diethoxyethane 25.26
    benzonitrile 26.1
    trioctyl phosphate 9.51
    1-bromopropane 16.0
    gamma-valerolactone 92.54
    n-decanol 6.28
    triethyl phosphate 18.34
    4-methyl-2-pentanol 6.42
    propionitrile 25.52
    vinylene carbonate 59.35
    1,1,2-trichlorotrifluoroethane 103.96
    DMS 27.66
    cumene 3.88
    2-octanol 5.53
    2-hexanone 17.04
    octyl acetate 11.99
    limonene 6.12
    1,2-dimethoxyethane 58.91
    ethyl orthosilicate 16.46
    tributyl phosphate 11.84
    diacetone alcohol 29.28
    N,N-dimethylaniline 11.45
    acrylonitrile 47.87
    aniline 13.65
    1,3-propanediol 17.0
    bromobenzene 21.89
    dibromomethane 77.49
    1,1,2,2-tetrachloroethane 112.38
    2-methyl-cyclohexyl acetate 19.25
    tetrabutyl urea 15.44
    diisobutyl methanol 5.62
    2-phenylethanol 17.65
    styrene 5.41
    dioctyl adipate 17.9
    dimethyl sulfate 68.9
    ethyl butyrate 21.66
    methyl lactate 26.74
    butyl lactate 18.52
    diethyl carbonate 20.81
    propanediol butyl ether 17.42
    triethyl orthoformate 20.18
    p-tert-butyltoluene 4.77
    methyl 4-tert-butylbenzoate 29.27
    morpholine 42.38
    tert-butylamine 4.12
    n-dodecanol 4.9
    dimethoxymethane 69.09
    ethylene carbonate 46.87
    cyrene 38.23
    2-ethoxyethyl acetate 31.26
    2-ethylhexyl acetate 14.16
    1,2,4-trichlorobenzene 31.67
    4-methylpyridine 24.53
    dibutyl ether 9.89
    2,6-dimethyl-4-heptanol 5.62
    DEF 36.89
    dimethyl isosorbide 60.1
    tetrachloroethylene 70.02
    eugenol 30.88
    triacetin 38.46
    span 80 20.64
    1,4-butanediol 9.05
    1,1-dichloroethane 47.89
    2-methyl-1-pentanol 7.2
    methyl formate 41.38
    2-methyl-1-butanol 7.02
    n-decane 1.32
    butyronitrile 19.02
    3,7-dimethyl-1-octanol 8.18
    1-chlorooctane 5.32
    1-chlorotetradecane 2.59
    n-nonane 1.05
    undecane 0.97
    tert-butylcyclohexane 0.67
    cyclooctane 0.65
    cyclopentanol 10.62
    tetrahydropyran 21.59
    tert-amyl methyl ether 8.93
    2,5,8-trioxanonane 64.52
    1-hexene 1.76
    2-isopropoxyethanol 27.34
    2,2,2-trifluoroethanol 64.05
    methyl butyrate 27.07

    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