Zaluzanin C

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  • Identifiers

    CAS number
    16838-87-2

    Molecular formula
    C15H18O3

    SMILES
    C=C1CC[C@@H]2[C@@H]([C@@H]3[C@H]1C[C@@H](C3=C)O)OC(=O)C2=C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 37.01%
    Spicy 33.22%
    Nutty 32.06%
    Sweet 30.05%
    Burnt 29.19%
    Mint 26.33%
    Woody 24.68%
    Caramellic 24.37%
    Camphoreous 18.92%
    Phenolic 18.91%

     

    Flavor
    Bitter 91.52%
    Cedarleaf 20.23%
    Lovage 19.59%
    Nitrile 19.22%
    Basil 19.2%
    Sweet-like 18.77%
    Fenugreek 18.38%
    Alkaline 18.32%
    Shrimp 18.22%
    Ripe apricot 18.05%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    7.3 (neutral)

    Molecular weight
    246.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    591°C

    Flash point

    • 161.31 ˚C est.

  • Synonyms

    • Zaluzanin C
    • 16838-87-2
    • V6LK3YNL2H
    • (3aS,6aR,8S,9aR,9bS)-8-hydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
    • CHEBI:10103
    • DTXSID40168557
    • NSC-177851
    • (3aS,6aR,8S,9aR,9bS)-8-hydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno(4,5-b)furan-2-one
    • RefChem:195836
    • DTXCID7091048
    • NSC177851
    • (3aS,6aR,8S,9aR,9bS)-8-hydroxy-3,6,9-trimethylidenedecahydroazuleno[4,5-b]furan-2(3H)-one
    • (3AS,6aR,8S,9aR,9bS)-8-hydroxy-3,6,9-tris(methylene)decahydroazuleno[4,5-b]furan-2(3H)-one
    • NSC 177851
    • CHEMBL462318
    • orb2942920
    • (3aS,6aR,8S,9aR,9bS)-8-hydroxy-3,6,9-trimethylene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
    • C09606
    • Q27108584
    • 3beta-hydroxy-4(15),10(14),11(13)-guaiatrien-12,6-olide
    • 3beta,6alpha-Dihydroxy-1beta-guaia-4(15),10(14),11(13)-trien-12-oic acid, gamma-lactone
    • (3aS,6aR,8S,9aR,9bS)-Decahydro-8-hydroxy-3,6,9-tris(methylene)azuleno[4,5-b]furan-2(3H)-one
    • Azuleno[4,5-b]furan-2(3H)-one, decahydro-8-hydroxy-3,6,9-tris(methylene)-, (3aS,6aR,8S,9aR,9bS)-
    • Decahydro-8-hydroxy-3,6,9-tris(methylene)azuleno[4,5-b]furan-2(3H)-one, (3aS,6aR,8S,9aR,9bS)-
    • 16838-87-2

  • Applications

    Zaluzanin C, CAS 16838-87-2, is primarily used as a synthetic building block and molecular scaffold in organic synthesis and natural product research. It is commonly evaluated as a core structure for medicinal chemistry and drug discovery, serving as a starting point for lead-optimization studies. It is used as an analytical reference compound for chromatographic method development and quality control in natural product libraries. Researchers may study its biological activity to explore potential pharmacological relevance, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 70.0
    methanol 182.6
    isopropanol 112.68
    water 1.54
    ethyl acetate 82.9
    n-propanol 80.33
    acetone 155.74
    n-butanol 90.25
    acetonitrile 60.7
    DMF 288.07
    toluene 63.46
    isobutanol 68.27
    1,4-dioxane 241.55
    methyl acetate 103.99
    THF 300.99
    2-butanone 141.51
    n-pentanol 45.23
    sec-butanol 57.98
    n-hexane 0.34
    ethylene glycol 41.22
    NMP 125.13
    cyclohexane 1.73
    DMSO 268.26
    n-butyl acetate 68.11
    n-octanol 21.09
    chloroform 258.85
    n-propyl acetate 62.41
    acetic acid 99.99
    dichloromethane 208.92
    cyclohexanone 180.57
    propylene glycol 33.62
    isopropyl acetate 71.73
    DMAc 200.48
    2-ethoxyethanol 138.14
    isopentanol 97.71
    n-heptane 0.57
    ethyl formate 92.01
    1,2-dichloroethane 115.06
    n-hexanol 46.51
    2-methoxyethanol 243.84
    isobutyl acetate 47.07
    tetrachloromethane 26.38
    n-pentyl acetate 48.83
    transcutol 275.49
    n-heptanol 31.21
    ethylbenzene 26.54
    MIBK 74.58
    2-propoxyethanol 138.81
    tert-butanol 101.05
    MTBE 34.48
    2-butoxyethanol 89.17
    propionic acid 72.83
    o-xylene 37.34
    formic acid 84.57
    diethyl ether 31.65
    m-xylene 43.07
    p-xylene 40.2
    chlorobenzene 75.52
    dimethyl carbonate 63.47
    n-octane 0.58
    formamide 153.72
    cyclopentanone 238.72
    2-pentanone 98.77
    anisole 67.14
    cyclopentyl methyl ether 59.21
    gamma-butyrolactone 233.39
    1-methoxy-2-propanol 174.86
    pyridine 211.85
    3-pentanone 59.63
    furfural 254.09
    n-dodecane 0.8
    diethylene glycol 155.63
    diisopropyl ether 11.66
    tert-amyl alcohol 56.54
    acetylacetone 142.77
    n-hexadecane 0.98
    acetophenone 84.42
    methyl propionate 70.98
    isopentyl acetate 70.1
    trichloroethylene 264.92
    n-nonanol 22.11
    cyclohexanol 62.28
    benzyl alcohol 96.71
    2-ethylhexanol 25.33
    isooctanol 29.05
    dipropyl ether 13.26
    1,2-dichlorobenzene 70.77
    ethyl lactate 48.17
    propylene carbonate 127.61
    n-methylformamide 150.67
    2-pentanol 45.44
    n-pentane 0.52
    1-propoxy-2-propanol 79.01
    1-methoxy-2-propyl acetate 90.98
    2-(2-methoxypropoxy) propanol 78.49
    mesitylene 22.8
    ε-caprolactone 126.79
    p-cymene 17.97
    epichlorohydrin 267.85
    1,1,1-trichloroethane 81.25
    2-aminoethanol 63.23
    morpholine-4-carbaldehyde 199.89
    sulfolane 218.11
    2,2,4-trimethylpentane 0.92
    2-methyltetrahydrofuran 101.75
    n-hexyl acetate 49.89
    isooctane 1.04
    2-(2-butoxyethoxy)ethanol 104.92
    sec-butyl acetate 45.36
    tert-butyl acetate 67.82
    decalin 1.86
    glycerin 86.23
    diglyme 199.04
    acrylic acid 76.98
    isopropyl myristate 22.65
    n-butyric acid 111.53
    acetyl acetate 73.15
    di(2-ethylhexyl) phthalate 36.54
    ethyl propionate 47.66
    nitromethane 186.99
    1,2-diethoxyethane 63.87
    benzonitrile 111.69
    trioctyl phosphate 25.4
    1-bromopropane 31.04
    gamma-valerolactone 290.53
    n-decanol 16.49
    triethyl phosphate 28.89
    4-methyl-2-pentanol 36.77
    propionitrile 66.18
    vinylene carbonate 137.84
    1,1,2-trichlorotrifluoroethane 180.83
    DMS 68.36
    cumene 19.24
    2-octanol 19.12
    2-hexanone 59.46
    octyl acetate 27.81
    limonene 17.12
    1,2-dimethoxyethane 184.13
    ethyl orthosilicate 26.15
    tributyl phosphate 28.27
    diacetone alcohol 101.96
    N,N-dimethylaniline 44.8
    acrylonitrile 113.18
    aniline 93.29
    1,3-propanediol 134.41
    bromobenzene 64.77
    dibromomethane 96.61
    1,1,2,2-tetrachloroethane 185.21
    2-methyl-cyclohexyl acetate 44.05
    tetrabutyl urea 38.42
    diisobutyl methanol 19.14
    2-phenylethanol 82.51
    styrene 29.94
    dioctyl adipate 36.23
    dimethyl sulfate 100.57
    ethyl butyrate 44.14
    methyl lactate 70.08
    butyl lactate 54.82
    diethyl carbonate 35.21
    propanediol butyl ether 73.84
    triethyl orthoformate 34.06
    p-tert-butyltoluene 16.55
    methyl 4-tert-butylbenzoate 68.69
    morpholine 207.24
    tert-butylamine 32.94
    n-dodecanol 12.11
    dimethoxymethane 165.32
    ethylene carbonate 114.55
    cyrene 98.34
    2-ethoxyethyl acetate 83.45
    2-ethylhexyl acetate 49.86
    1,2,4-trichlorobenzene 84.88
    4-methylpyridine 173.08
    dibutyl ether 15.39
    2,6-dimethyl-4-heptanol 19.14
    DEF 77.92
    dimethyl isosorbide 120.71
    tetrachloroethylene 127.16
    eugenol 81.24
    triacetin 65.84
    span 80 58.85
    1,4-butanediol 48.97
    1,1-dichloroethane 98.98
    2-methyl-1-pentanol 45.37
    methyl formate 141.08
    2-methyl-1-butanol 61.98
    n-decane 1.23
    butyronitrile 64.73
    3,7-dimethyl-1-octanol 25.77
    1-chlorooctane 8.06
    1-chlorotetradecane 3.71
    n-nonane 0.87
    undecane 0.98
    tert-butylcyclohexane 1.57
    cyclooctane 0.76
    cyclopentanol 76.13
    tetrahydropyran 110.68
    tert-amyl methyl ether 23.71
    2,5,8-trioxanonane 128.32
    1-hexene 3.15
    2-isopropoxyethanol 92.75
    2,2,2-trifluoroethanol 72.13
    methyl butyrate 70.19

    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