Zizyberanalic Acid

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  • Identifiers

    CAS number
    67594-73-4

    Molecular formula
    C30H46O4

    SMILES
    CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4([C@@H]([C@H](C5(C)C)O)C=O)C)C)C(=O)O

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  • Odor profile

    Fragrance
    Woody 78.14%
    Amber 42.86%
    Cedar 42.19%
    Herbal 40.84%
    Balsamic 40.65%
    Dry 38.56%
    Spicy 36.88%
    Pine 34.79%
    Camphoreous 33.18%
    Sandalwood 31.42%

     

    Flavor
    Woody 46.67%
    Bitter 34.95%
    Herbal 34.63%
    Balsam 32.73%
    Camphor 30.98%
    Minty 30.52%
    Pine 29.24%
    Spicy 24.26%
    Sweet 23.84%
    Herb 23.11%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.5

    pKa est.
    5.18 (weak acid)

    Molecular weight
    470.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    243°C

    Flash point

    • 243.55 ˚C est.

  • Synonyms

    • Colubrinic acid
    • Zizyberanalic acid
    • CHEBI:67591
    • (1R,2R,5S,8R,9R,10R,13R,14R,15S,16R,18R)-15-formyl-16-hydroxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5-carboxylic acid
    • (1R,3aS,5aR,5bR,7aR,9R,10S,10aR,10bR,12aR,12bR)-10-formyl-9-hydroxy-5a,5b,8,8,10a-pentamethyl-1-(prop-1-en-2-yl)octadecahydrodicyclopenta[a,i]phenanthrene-3a(1H)-carboxylic acid
    • Zizyberanalate
    • (1R,2R,5S,8R,9R,10R,13R,14R,15S,16R,18R)-15-formyl-16-hydroxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo(11.7.0.02,10.05,9.014,18)icosane-5-carboxylic acid
    • (1R,3aS,5aR,5bR,7aR,9R,10S,10aR,10bR,12aR,12bR)-10-formyl-9-hydroxy-5a,5b,8,8,10a-pentamethyl-1-(prop-1-en-2-yl)octadecahydrodicyclopenta(a,i)phenanthrene-3a(1H)-carboxylic acid
    • 15-formyl-16-hydroxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo(11.7.0.02,10.05,9.014,18)icosane-5-carboxylic acid
    • 15-formyl-16-hydroxy-1,2,14,17,17-pentamethyl-8-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icosane-5-carboxylic acid
    • RefChem:196172
    • 67594-73-4
    • CHEMBL470503
    • orb1984144
    • SCHEMBL31237375
    • DTXSID501315867
    • BDBM50249140
    • AKOS040763697
    • Q27136060
    • (1R,5aR,5bR,7aR,9R,10S,10aR,10bR,12aR)-10-Formyl-9-hydroxy-5a,5b,8,8,10a-pentamethyl-1-(prop-1-en-2-yl)octadecahydrodicyclopenta[a,i]phenanthrene-3a(1H)-carboxylic acid
    • 67594-73-4

  • Applications

    Zizyberanalic Acid, CAS 67594-73-4, is used across several industrial and formulation contexts as an aroma-related ingredient. In perfumery, it may function as an odorant and/or fixative to improve fragrance longevity; in cosmetics/personal care, it may be employed as a fragrance ingredient in creams, lotions, and other products, subject to regulatory limits; in household products such as cleaners, it can be added as a fragrance component; in industrial manufacturing, it can serve as an intermediate or building block for the synthesis of other aroma compounds and specialty chemicals; its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.15
    methanol 14.12
    isopropanol 16.07
    water 0.02
    ethyl acetate 7.44
    n-propanol 24.93
    acetone 10.06
    n-butanol 18.32
    acetonitrile 4.02
    DMF 92.48
    toluene 9.93
    isobutanol 13.55
    1,4-dioxane 36.22
    methyl acetate 6.96
    THF 119.08
    2-butanone 13.86
    n-pentanol 11.4
    sec-butanol 8.82
    n-hexane 0.25
    ethylene glycol 3.08
    NMP 55.73
    cyclohexane 0.27
    DMSO 26.5
    n-butyl acetate 7.03
    n-octanol 2.99
    chloroform 33.09
    n-propyl acetate 5.21
    acetic acid 12.58
    dichloromethane 16.22
    cyclohexanone 22.81
    propylene glycol 8.11
    isopropyl acetate 7.96
    DMAc 51.73
    2-ethoxyethanol 24.74
    isopentanol 10.83
    n-heptane 0.2
    ethyl formate 4.55
    1,2-dichloroethane 8.55
    n-hexanol 12.13
    2-methoxyethanol 46.19
    isobutyl acetate 4.87
    tetrachloromethane 3.52
    n-pentyl acetate 9.11
    transcutol 31.8
    n-heptanol 6.95
    ethylbenzene 3.63
    MIBK 8.98
    2-propoxyethanol 62.55
    tert-butanol 9.13
    MTBE 5.67
    2-butoxyethanol 28.44
    propionic acid 9.16
    o-xylene 4.17
    formic acid 6.01
    diethyl ether 8.42
    m-xylene 6.1
    p-xylene 3.98
    chlorobenzene 9.74
    dimethyl carbonate 10.69
    n-octane 0.07
    formamide 8.73
    cyclopentanone 44.38
    2-pentanone 13.1
    anisole 11.4
    cyclopentyl methyl ether 20.27
    gamma-butyrolactone 38.63
    1-methoxy-2-propanol 55.98
    pyridine 35.9
    3-pentanone 8.98
    furfural 29.96
    n-dodecane 0.03
    diethylene glycol 31.49
    diisopropyl ether 1.87
    tert-amyl alcohol 5.48
    acetylacetone 15.49
    n-hexadecane 0.04
    acetophenone 11.14
    methyl propionate 12.0
    isopentyl acetate 8.02
    trichloroethylene 28.99
    n-nonanol 3.41
    cyclohexanol 7.63
    benzyl alcohol 13.84
    2-ethylhexanol 3.94
    isooctanol 5.04
    dipropyl ether 5.11
    1,2-dichlorobenzene 8.7
    ethyl lactate 6.77
    propylene carbonate 14.35
    n-methylformamide 22.98
    2-pentanol 7.01
    n-pentane 0.29
    1-propoxy-2-propanol 33.86
    1-methoxy-2-propyl acetate 22.14
    2-(2-methoxypropoxy) propanol 14.65
    mesitylene 2.7
    ε-caprolactone 20.33
    p-cymene 2.02
    epichlorohydrin 47.29
    1,1,1-trichloroethane 7.99
    2-aminoethanol 13.31
    morpholine-4-carbaldehyde 66.11
    sulfolane 49.64
    2,2,4-trimethylpentane 0.17
    2-methyltetrahydrofuran 23.47
    n-hexyl acetate 8.69
    isooctane 0.17
    2-(2-butoxyethoxy)ethanol 21.25
    sec-butyl acetate 4.24
    tert-butyl acetate 9.72
    decalin 0.26
    glycerin 13.7
    diglyme 34.81
    acrylic acid 9.99
    isopropyl myristate 2.13
    n-butyric acid 15.18
    acetyl acetate 6.09
    di(2-ethylhexyl) phthalate 5.51
    ethyl propionate 5.63
    nitromethane 16.24
    1,2-diethoxyethane 7.93
    benzonitrile 8.89
    trioctyl phosphate 3.39
    1-bromopropane 4.76
    gamma-valerolactone 70.01
    n-decanol 1.62
    triethyl phosphate 3.78
    4-methyl-2-pentanol 4.61
    propionitrile 7.22
    vinylene carbonate 15.36
    1,1,2-trichlorotrifluoroethane 35.82
    DMS 9.11
    cumene 2.15
    2-octanol 2.78
    2-hexanone 7.51
    octyl acetate 3.38
    limonene 2.17
    1,2-dimethoxyethane 28.25
    ethyl orthosilicate 4.04
    tributyl phosphate 2.84
    diacetone alcohol 16.75
    N,N-dimethylaniline 7.95
    acrylonitrile 10.13
    aniline 14.68
    1,3-propanediol 22.11
    bromobenzene 9.16
    dibromomethane 9.35
    1,1,2,2-tetrachloroethane 22.68
    2-methyl-cyclohexyl acetate 6.76
    tetrabutyl urea 4.5
    diisobutyl methanol 2.26
    2-phenylethanol 17.63
    styrene 4.19
    dioctyl adipate 4.95
    dimethyl sulfate 19.42
    ethyl butyrate 5.26
    methyl lactate 15.23
    butyl lactate 12.13
    diethyl carbonate 3.49
    propanediol butyl ether 20.05
    triethyl orthoformate 6.15
    p-tert-butyltoluene 2.17
    methyl 4-tert-butylbenzoate 15.39
    morpholine 58.75
    tert-butylamine 3.21
    n-dodecanol 0.77
    dimethoxymethane 57.82
    ethylene carbonate 11.58
    cyrene 25.6
    2-ethoxyethyl acetate 15.06
    2-ethylhexyl acetate 5.71
    1,2,4-trichlorobenzene 13.34
    4-methylpyridine 24.69
    dibutyl ether 1.64
    2,6-dimethyl-4-heptanol 2.26
    DEF 15.81
    dimethyl isosorbide 29.73
    tetrachloroethylene 15.14
    eugenol 18.1
    triacetin 10.73
    span 80 14.53
    1,4-butanediol 7.5
    1,1-dichloroethane 8.2
    2-methyl-1-pentanol 6.59
    methyl formate 11.76
    2-methyl-1-butanol 9.74
    n-decane 0.09
    butyronitrile 7.41
    3,7-dimethyl-1-octanol 2.76
    1-chlorooctane 0.79
    1-chlorotetradecane 0.16
    n-nonane 0.08
    undecane 0.05
    tert-butylcyclohexane 0.24
    cyclooctane 0.14
    cyclopentanol 13.9
    tetrahydropyran 22.65
    tert-amyl methyl ether 4.26
    2,5,8-trioxanonane 19.94
    1-hexene 1.38
    2-isopropoxyethanol 15.24
    2,2,2-trifluoroethanol 5.94
    methyl butyrate 6.65

    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