oryzalide B

Overview IFRA Request a quote

  • Identifiers

    CAS number
    134885-94-2

    Molecular formula
    C19H28O4

    SMILES
    CC1(C2CCC34CC(CCC3C2(C(OC1=O)O)C)C(=C)C4O)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 58.73%
    Sweet 49.77%
    Camphoreous 46.3%
    Mint 45.87%
    Herbal 45.27%
    Spicy 42.89%
    Cooling 35.88%
    Pine 29.98%
    Balsamic 29.37%
    Earthy 29.35%

     

    Flavor
    Bitter 83.15%
    Cedarleaf 23.3%
    Herbal 22.43%
    Camphor 22.18%
    Minty 22.09%
    Ripe apricot 21.97%
    Patchouli 21.74%
    Woody 21.56%
    Red fruit 21.39%
    Beet 20.7%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.4 (neutral)

    Molecular weight
    320.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    340°C

    Melting point expt.

    • 196 - 197 °C

    Flash point

    • 200.87 ˚C est.

  • Synonyms

    • oryzalide B
    • CHEBI:138787
    • DTXSID601101695
    • 134885-94-2
    • 3H-6a,9-Methanocyclohepta[h]-2-benzopyran-3-one, dodecahydro-1,7-dihydroxy-4,4,11b-trimethyl-8-methylene-, (1R,4aS,6aR,7S,9R,11aR,11bS)-
    • 134885-94-2

  • Applications

    oryzalide B, CAS 134885-94-2, is a natural product that is regarded as a synthetic intermediate and a structural scaffold for pharmaceutical research, with potential to be elaborated into valuable bioactive derivatives in drug discovery programs. In research settings, it is commonly evaluated as a building block for medicinal-chemistry libraries and may serve as a precursor to more active analogs. In addition, oryzalide B can be used as an analytical reference material in analytical chemistry (NMR, MS) and for method development. Practical industrial applications are limited and depend on local regulations and formulation/processing conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 36.27
    methanol 108.92
    isopropanol 61.92
    water 0.67
    ethyl acetate 29.37
    n-propanol 47.83
    acetone 61.6
    n-butanol 47.46
    acetonitrile 21.77
    DMF 258.93
    toluene 29.15
    isobutanol 31.38
    1,4-dioxane 105.95
    methyl acetate 26.09
    THF 350.57
    2-butanone 38.95
    n-pentanol 15.83
    sec-butanol 16.27
    n-hexane 0.28
    ethylene glycol 23.68
    NMP 88.57
    cyclohexane 0.76
    DMSO 146.89
    n-butyl acetate 25.48
    n-octanol 8.59
    chloroform 77.03
    n-propyl acetate 17.83
    acetic acid 55.19
    dichloromethane 46.89
    cyclohexanone 71.46
    propylene glycol 20.09
    isopropyl acetate 34.82
    DMAc 81.97
    2-ethoxyethanol 53.06
    isopentanol 38.36
    n-heptane 0.37
    ethyl formate 24.87
    1,2-dichloroethane 30.98
    n-hexanol 26.25
    2-methoxyethanol 151.17
    isobutyl acetate 15.97
    tetrachloromethane 9.98
    n-pentyl acetate 24.75
    transcutol 84.82
    n-heptanol 17.85
    ethylbenzene 8.15
    MIBK 39.64
    2-propoxyethanol 113.1
    tert-butanol 48.77
    MTBE 12.18
    2-butoxyethanol 55.54
    propionic acid 26.46
    o-xylene 13.46
    formic acid 58.36
    diethyl ether 16.95
    m-xylene 23.38
    p-xylene 10.56
    chlorobenzene 29.23
    dimethyl carbonate 41.44
    n-octane 0.25
    formamide 76.26
    cyclopentanone 140.41
    2-pentanone 47.47
    anisole 23.91
    cyclopentyl methyl ether 49.63
    gamma-butyrolactone 130.53
    1-methoxy-2-propanol 135.77
    pyridine 78.88
    3-pentanone 24.28
    furfural 112.72
    n-dodecane 0.22
    diethylene glycol 103.36
    diisopropyl ether 6.61
    tert-amyl alcohol 14.14
    acetylacetone 72.99
    n-hexadecane 0.28
    acetophenone 29.71
    methyl propionate 34.28
    isopentyl acetate 28.62
    trichloroethylene 77.24
    n-nonanol 9.9
    cyclohexanol 22.79
    benzyl alcohol 33.76
    2-ethylhexanol 10.58
    isooctanol 14.99
    dipropyl ether 9.43
    1,2-dichlorobenzene 24.72
    ethyl lactate 22.53
    propylene carbonate 52.39
    n-methylformamide 105.11
    2-pentanol 19.6
    n-pentane 0.53
    1-propoxy-2-propanol 64.5
    1-methoxy-2-propyl acetate 58.01
    2-(2-methoxypropoxy) propanol 35.81
    mesitylene 12.45
    ε-caprolactone 50.34
    p-cymene 7.31
    epichlorohydrin 138.68
    1,1,1-trichloroethane 25.72
    2-aminoethanol 43.62
    morpholine-4-carbaldehyde 129.79
    sulfolane 138.31
    2,2,4-trimethylpentane 0.37
    2-methyltetrahydrofuran 55.97
    n-hexyl acetate 24.39
    isooctane 0.61
    2-(2-butoxyethoxy)ethanol 51.74
    sec-butyl acetate 14.27
    tert-butyl acetate 38.75
    decalin 0.66
    glycerin 55.44
    diglyme 91.37
    acrylic acid 33.56
    isopropyl myristate 9.69
    n-butyric acid 49.63
    acetyl acetate 32.77
    di(2-ethylhexyl) phthalate 17.36
    ethyl propionate 18.26
    nitromethane 88.32
    1,2-diethoxyethane 23.73
    benzonitrile 36.44
    trioctyl phosphate 13.09
    1-bromopropane 10.65
    gamma-valerolactone 175.59
    n-decanol 6.3
    triethyl phosphate 12.66
    4-methyl-2-pentanol 17.5
    propionitrile 24.9
    vinylene carbonate 56.9
    1,1,2-trichlorotrifluoroethane 91.81
    DMS 29.16
    cumene 6.16
    2-octanol 8.27
    2-hexanone 17.95
    octyl acetate 12.92
    limonene 6.97
    1,2-dimethoxyethane 76.64
    ethyl orthosilicate 11.98
    tributyl phosphate 11.85
    diacetone alcohol 58.24
    N,N-dimethylaniline 17.17
    acrylonitrile 42.53
    aniline 42.31
    1,3-propanediol 79.61
    bromobenzene 25.84
    dibromomethane 25.19
    1,1,2,2-tetrachloroethane 57.04
    2-methyl-cyclohexyl acetate 20.51
    tetrabutyl urea 16.21
    diisobutyl methanol 9.02
    2-phenylethanol 45.92
    styrene 9.21
    dioctyl adipate 16.32
    dimethyl sulfate 65.38
    ethyl butyrate 17.49
    methyl lactate 45.9
    butyl lactate 29.71
    diethyl carbonate 13.24
    propanediol butyl ether 37.94
    triethyl orthoformate 16.51
    p-tert-butyltoluene 7.82
    methyl 4-tert-butylbenzoate 39.45
    morpholine 115.48
    tert-butylamine 14.07
    n-dodecanol 3.96
    dimethoxymethane 189.31
    ethylene carbonate 46.19
    cyrene 49.7
    2-ethoxyethyl acetate 42.36
    2-ethylhexyl acetate 18.54
    1,2,4-trichlorobenzene 30.89
    4-methylpyridine 64.23
    dibutyl ether 5.37
    2,6-dimethyl-4-heptanol 9.02
    DEF 35.97
    dimethyl isosorbide 71.43
    tetrachloroethylene 41.06
    eugenol 43.91
    triacetin 30.04
    span 80 31.13
    1,4-butanediol 20.69
    1,1-dichloroethane 26.48
    2-methyl-1-pentanol 12.61
    methyl formate 80.11
    2-methyl-1-butanol 20.97
    n-decane 0.44
    butyronitrile 26.0
    3,7-dimethyl-1-octanol 9.82
    1-chlorooctane 3.02
    1-chlorotetradecane 1.09
    n-nonane 0.33
    undecane 0.3
    tert-butylcyclohexane 0.64
    cyclooctane 0.4
    cyclopentanol 38.72
    tetrahydropyran 50.29
    tert-amyl methyl ether 8.19
    2,5,8-trioxanonane 56.11
    1-hexene 1.6
    2-isopropoxyethanol 34.24
    2,2,2-trifluoroethanol 34.74
    methyl butyrate 22.24

    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