Furanojaponin

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  • Identifiers

    CAS number
    34335-98-3

    Molecular formula
    C20H28O3

    SMILES
    C/C=C(/C)\C(=O)O[C@@H]1C[C@@H]([C@]2(CC3=C(C[C@H]2C1)OC=C3C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 52.48%
    Sweet 45.0%
    Mint 44.58%
    Fruity 43.04%
    Woody 42.79%
    Floral 38.95%
    Fresh 34.77%
    Spicy 33.17%
    Green 27.78%
    Tobacco 27.22%

     

    Flavor
    Bitter 37.17%
    Woody 33.98%
    Herbal 32.53%
    Minty 28.32%
    Camphor 22.61%
    Spicy 22.44%
    Parsley 20.93%
    Cedarleaf 20.75%
    Spice 20.52%
    Ripe apricot 20.42%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    7.15 (neutral)

    Molecular weight
    316.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    412°C

    Flash point

    • 200.59 ˚C est.

  • Synonyms

    • Furanojaponin
    • CHEBI:191639
    • DTXSID101103791
    • 34335-98-3
    • [(4aR,5S,7R,8aR)-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[][1]benzouran-7-yl] (Z)-2-methylbut-2-enoate
    • 2-Butenoic acid, 2-methyl-, (4aR,5S,7R,8aR)-4,4a,5,6,7,8,8a,9-octahydro-3,4a,5-trimethylnaphtho[2,3-b]furan-7-yl ester, (2Z)-
    • 34335-98-3

  • Applications

    Furanojaponin (CAS 34335-98-3) is an organic small molecule with a furan ring, typically used as a chemical synthesis intermediate and building block for specialty chemicals in the pharmaceutical and materials industries. In practice, it may serve as an organic synthesis intermediate for pharmaceuticals and specialty chemicals; it can function as a solvent or co-solvent in formulations; it may act as a fragrance component or odorant precursor in perfumery; it can be a precursor or additive in polymers/plastics and coatings/inks; and it may appear in cleaning formulations as a solvent or fragrance-derived component. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 206.8
    methanol 173.73
    isopropanol 186.41
    water 0.18
    ethyl acetate 364.28
    n-propanol 211.93
    acetone 295.11
    n-butanol 220.63
    acetonitrile 85.63
    DMF 302.63
    toluene 508.4
    isobutanol 167.99
    1,4-dioxane 785.94
    methyl acetate 255.47
    THF 766.73
    2-butanone 362.81
    n-pentanol 142.78
    sec-butanol 141.59
    n-hexane 6.19
    ethylene glycol 11.69
    NMP 139.03
    cyclohexane 35.37
    DMSO 119.53
    n-butyl acetate 280.44
    n-octanol 58.13
    chloroform 1104.27
    n-propyl acetate 231.62
    acetic acid 90.55
    dichloromethane 803.07
    cyclohexanone 469.53
    propylene glycol 23.51
    isopropyl acetate 291.32
    DMAc 348.31
    2-ethoxyethanol 268.35
    isopentanol 219.6
    n-heptane 5.3
    ethyl formate 134.03
    1,2-dichloroethane 413.57
    n-hexanol 165.64
    2-methoxyethanol 313.38
    isobutyl acetate 219.37
    tetrachloromethane 94.15
    n-pentyl acetate 201.25
    transcutol 863.5
    n-heptanol 90.11
    ethylbenzene 173.16
    MIBK 230.51
    2-propoxyethanol 391.46
    tert-butanol 171.93
    MTBE 243.51
    2-butoxyethanol 222.16
    propionic acid 88.6
    o-xylene 204.98
    formic acid 27.33
    diethyl ether 311.91
    m-xylene 254.97
    p-xylene 267.42
    chlorobenzene 361.75
    dimethyl carbonate 103.68
    n-octane 4.03
    formamide 63.67
    cyclopentanone 379.91
    2-pentanone 305.26
    anisole 311.87
    cyclopentyl methyl ether 282.11
    gamma-butyrolactone 290.06
    1-methoxy-2-propanol 290.24
    pyridine 581.49
    3-pentanone 232.65
    furfural 308.2
    n-dodecane 4.54
    diethylene glycol 175.08
    diisopropyl ether 85.52
    tert-amyl alcohol 129.28
    acetylacetone 322.78
    n-hexadecane 5.67
    acetophenone 274.98
    methyl propionate 229.31
    isopentyl acetate 289.81
    trichloroethylene 770.26
    n-nonanol 65.45
    cyclohexanol 166.46
    benzyl alcohol 241.14
    2-ethylhexanol 93.88
    isooctanol 83.33
    dipropyl ether 91.06
    1,2-dichlorobenzene 287.96
    ethyl lactate 78.33
    propylene carbonate 184.22
    n-methylformamide 112.95
    2-pentanol 134.06
    n-pentane 9.25
    1-propoxy-2-propanol 229.89
    1-methoxy-2-propyl acetate 322.22
    2-(2-methoxypropoxy) propanol 193.52
    mesitylene 126.07
    ε-caprolactone 346.06
    p-cymene 72.88
    epichlorohydrin 523.25
    1,1,1-trichloroethane 369.23
    2-aminoethanol 44.31
    morpholine-4-carbaldehyde 384.29
    sulfolane 202.26
    2,2,4-trimethylpentane 9.14
    2-methyltetrahydrofuran 362.37
    n-hexyl acetate 203.32
    isooctane 8.49
    2-(2-butoxyethoxy)ethanol 286.07
    sec-butyl acetate 207.03
    tert-butyl acetate 256.41
    decalin 17.31
    glycerin 34.77
    diglyme 540.75
    acrylic acid 62.61
    isopropyl myristate 86.68
    n-butyric acid 206.82
    acetyl acetate 194.95
    di(2-ethylhexyl) phthalate 99.08
    ethyl propionate 181.73
    nitromethane 176.29
    1,2-diethoxyethane 368.56
    benzonitrile 253.33
    trioctyl phosphate 57.71
    1-bromopropane 216.09
    gamma-valerolactone 658.05
    n-decanol 48.17
    triethyl phosphate 76.93
    4-methyl-2-pentanol 104.25
    propionitrile 139.34
    vinylene carbonate 215.96
    1,1,2-trichlorotrifluoroethane 203.31
    DMS 205.26
    cumene 101.2
    2-octanol 59.7
    2-hexanone 211.9
    octyl acetate 100.32
    limonene 71.05
    1,2-dimethoxyethane 499.13
    ethyl orthosilicate 85.54
    tributyl phosphate 71.32
    diacetone alcohol 204.42
    N,N-dimethylaniline 162.27
    acrylonitrile 149.26
    aniline 317.56
    1,3-propanediol 138.53
    bromobenzene 406.66
    dibromomethane 453.6
    1,1,2,2-tetrachloroethane 596.15
    2-methyl-cyclohexyl acetate 153.96
    tetrabutyl urea 87.1
    diisobutyl methanol 56.84
    2-phenylethanol 254.27
    styrene 207.64
    dioctyl adipate 121.92
    dimethyl sulfate 106.93
    ethyl butyrate 163.62
    methyl lactate 73.16
    butyl lactate 131.96
    diethyl carbonate 110.36
    propanediol butyl ether 135.67
    triethyl orthoformate 126.47
    p-tert-butyltoluene 67.01
    methyl 4-tert-butylbenzoate 180.21
    morpholine 726.13
    tert-butylamine 104.17
    n-dodecanol 36.57
    dimethoxymethane 402.76
    ethylene carbonate 205.17
    cyrene 164.05
    2-ethoxyethyl acetate 334.94
    2-ethylhexyl acetate 221.55
    1,2,4-trichlorobenzene 299.36
    4-methylpyridine 602.67
    dibutyl ether 89.26
    2,6-dimethyl-4-heptanol 56.84
    DEF 235.21
    dimethyl isosorbide 293.39
    tetrachloroethylene 358.95
    eugenol 197.71
    triacetin 207.95
    span 80 146.63
    1,4-butanediol 52.87
    1,1-dichloroethane 394.41
    2-methyl-1-pentanol 152.31
    methyl formate 86.59
    2-methyl-1-butanol 172.09
    n-decane 7.71
    butyronitrile 168.77
    3,7-dimethyl-1-octanol 79.16
    1-chlorooctane 42.15
    1-chlorotetradecane 18.75
    n-nonane 5.81
    undecane 5.71
    tert-butylcyclohexane 14.0
    cyclooctane 9.87
    cyclopentanol 114.61
    tetrahydropyran 604.76
    tert-amyl methyl ether 137.23
    2,5,8-trioxanonane 314.12
    1-hexene 46.96
    2-isopropoxyethanol 222.62
    2,2,2-trifluoroethanol 40.33
    methyl butyrate 225.53

    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