(4aS,6aS,7S,11aR,11bS)-1,2,3,4,4a,5,6,7,8,11,11a,11b-Dodecahydro-7-hydroxy-4,4,11b-trimethyl-6aH-cyclohepta(a)naphthalene-6a,9-dicarboxaldehyde

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  • Identifiers

    CAS number
    104086-74-0

    Molecular formula
    C20H30O3

    SMILES
    C[C@]12CCCC([C@@H]1CC[C@@]3([C@@H]2CC=C(C[C@@H]3O)C=O)C=O)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 60.15%
    Green 46.62%
    Spicy 39.53%
    Herbal 38.7%
    Sweet 34.51%
    Mint 34.32%
    Fresh 33.55%
    Dry 28.98%
    Camphoreous 28.85%
    Amber 27.63%

     

    Flavor
    Sweet 46.59%
    Spicy 45.9%
    Spice 39.5%
    Woody 38.69%
    Herbal 34.91%
    Bitter 34.58%
    Minty 34.45%
    Fresh 31.28%
    Balsam 29.86%
    Mint 28.62%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    6.18 (neutral)

    Molecular weight
    318.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    421°C

    Flash point

    • 202.82 ˚C est.

  • Synonyms

    • Galanal A
    • 104086-74-0
    • (4aS,6aS,7S,11aR,11bS)-7-hydroxy-4,4,11b-trimethyl-1,2,3,4a,5,6,7,8,11,11a-decahydrocyclohepta[a]naphthalene-6a,9-dicarbaldehyde
    • (4aS,6aS,7S,11aR,11bS)-7-hydroxy-4,4,11b-trimethyl-1,2,3,4a,5,6,7,8,11,11a-decahydrocyclohepta(a)naphthalene-6a,9-dicarbaldehyde
    • RefChem:906133
    • (4aS,6aS,7S,11aR,11bS)-1,2,3,4,4a,5,6,7,8,11,11a,11b-Dodecahydro-7-hydroxy-4,4,11b-trimethyl-6aH-cyclohepta(a)naphthalene-6a,9-dicarboxaldehyde
    • DTXSID10908785
    • CHEBI:193435
    • (4aS,6aS,7S,11aR,11bS)-7-Hydroxy-4,4,11b-trimethyl-1,2,3,4,4a,5,6,7,8,11,11a,11b-dodecahydro-6aH-cyclohepta[a]naphthalene-6a,9-dicarbaldehyde
    • 6aH-Cyclohepta(a)naphthalene-6a,9-dicarboxaldehyde, 1,2,3,4,4a,5,6,7,8,11,11a,11b-dodecahydro-7-hydroxy-4,4,11b-trimethyl-, (4aS,6aS,7S,11aR,11bS)-
    • 6aH-Cyclohepta(a)naphthalene-6a,9-dicarboxaldehyde, 1,2,3,4,4a,5,6,7,8,11,11a,11b-dodecahydro-7-hydroxy-4,4,11b-trimethyl-, (4aS-(4aalpha,6abeta,7alpha,11aalpha,11bbeta))-
    • 7-Hydroxy-4,4,11b-trimethyl-1,2,3,4,4a,5,6,7,8,11,11a,11b-dodecahydro-6aH-cyclohepta[a]naphthalene-6a,9-dicarbaldehyde
    • 104086-74-0

  • Applications

    Chemical name: (4aS,6aS,7S,11aR,11bS)-1,2,3,4,4a,5,6,7,8,11,11a,11b-Dodecahydro-7-hydroxy-4,4,11b-trimethyl-6aH-cyclohepta(a)naphthalene-6a,9-dicarboxaldehyde, CAS 104086-74-0. In industrial practice, the compound is considered as a potential intermediate for the synthesis of complex aromatic compounds used in perfumery and flavor chemistry; it can also serve as a building block for specialty polymers and coatings. The aldehyde functionality enables derivatization and potential crosslinking in adhesive and coating formulations, and it is evaluated as a scaffold for advanced organic synthesis in research and pharmaceutical development. Actual applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 50.45
    methanol 66.69
    isopropanol 33.92
    water 0.26
    ethyl acetate 77.23
    n-propanol 61.18
    acetone 86.03
    n-butanol 43.94
    acetonitrile 50.43
    DMF 265.01
    toluene 103.75
    isobutanol 32.75
    1,4-dioxane 133.85
    methyl acetate 61.04
    THF 372.47
    2-butanone 79.45
    n-pentanol 18.74
    sec-butanol 20.5
    n-hexane 1.34
    ethylene glycol 14.42
    NMP 182.43
    cyclohexane 5.05
    DMSO 171.83
    n-butyl acetate 48.59
    n-octanol 7.97
    chloroform 280.82
    n-propyl acetate 37.98
    acetic acid 74.13
    dichloromethane 197.58
    cyclohexanone 137.79
    propylene glycol 17.65
    isopropyl acetate 59.58
    DMAc 154.86
    2-ethoxyethanol 52.4
    isopentanol 30.04
    n-heptane 1.14
    ethyl formate 44.71
    1,2-dichloroethane 129.16
    n-hexanol 30.91
    2-methoxyethanol 118.47
    isobutyl acetate 27.97
    tetrachloromethane 31.18
    n-pentyl acetate 33.93
    transcutol 159.01
    n-heptanol 16.34
    ethylbenzene 25.02
    MIBK 47.32
    2-propoxyethanol 101.73
    tert-butanol 27.84
    MTBE 20.33
    2-butoxyethanol 53.95
    propionic acid 50.2
    o-xylene 39.89
    formic acid 44.88
    diethyl ether 45.32
    m-xylene 50.62
    p-xylene 26.26
    chlorobenzene 94.79
    dimethyl carbonate 73.58
    n-octane 0.38
    formamide 71.36
    cyclopentanone 215.02
    2-pentanone 73.27
    anisole 60.19
    cyclopentyl methyl ether 91.31
    gamma-butyrolactone 226.49
    1-methoxy-2-propanol 101.17
    pyridine 190.01
    3-pentanone 60.03
    furfural 188.4
    n-dodecane 0.25
    diethylene glycol 71.63
    diisopropyl ether 11.65
    tert-amyl alcohol 17.1
    acetylacetone 103.74
    n-hexadecane 0.32
    acetophenone 64.26
    methyl propionate 84.09
    isopentyl acetate 47.19
    trichloroethylene 283.97
    n-nonanol 9.2
    cyclohexanol 38.27
    benzyl alcohol 54.5
    2-ethylhexanol 15.71
    isooctanol 13.0
    dipropyl ether 20.55
    1,2-dichlorobenzene 82.01
    ethyl lactate 32.42
    propylene carbonate 105.64
    n-methylformamide 129.33
    2-pentanol 18.42
    n-pentane 2.05
    1-propoxy-2-propanol 64.5
    1-methoxy-2-propyl acetate 94.27
    2-(2-methoxypropoxy) propanol 48.33
    mesitylene 22.89
    ε-caprolactone 117.37
    p-cymene 14.04
    epichlorohydrin 232.85
    1,1,1-trichloroethane 95.42
    2-aminoethanol 36.33
    morpholine-4-carbaldehyde 177.82
    sulfolane 235.23
    2,2,4-trimethylpentane 1.0
    2-methyltetrahydrofuran 104.03
    n-hexyl acetate 33.61
    isooctane 1.04
    2-(2-butoxyethoxy)ethanol 60.92
    sec-butyl acetate 30.32
    tert-butyl acetate 57.51
    decalin 2.28
    glycerin 40.57
    diglyme 126.53
    acrylic acid 59.67
    isopropyl myristate 11.72
    n-butyric acid 73.81
    acetyl acetate 67.83
    di(2-ethylhexyl) phthalate 22.84
    ethyl propionate 42.44
    nitromethane 138.16
    1,2-diethoxyethane 37.81
    benzonitrile 69.2
    trioctyl phosphate 14.51
    1-bromopropane 50.15
    gamma-valerolactone 256.24
    n-decanol 5.83
    triethyl phosphate 25.83
    4-methyl-2-pentanol 14.05
    propionitrile 57.15
    vinylene carbonate 115.41
    1,1,2-trichlorotrifluoroethane 162.61
    DMS 58.42
    cumene 14.57
    2-octanol 6.79
    2-hexanone 31.79
    octyl acetate 16.19
    limonene 15.43
    1,2-dimethoxyethane 83.75
    ethyl orthosilicate 23.36
    tributyl phosphate 15.35
    diacetone alcohol 64.08
    N,N-dimethylaniline 38.38
    acrylonitrile 86.32
    aniline 106.48
    1,3-propanediol 51.23
    bromobenzene 95.69
    dibromomethane 116.3
    1,1,2,2-tetrachloroethane 198.68
    2-methyl-cyclohexyl acetate 36.16
    tetrabutyl urea 20.53
    diisobutyl methanol 10.0
    2-phenylethanol 61.11
    styrene 32.71
    dioctyl adipate 24.87
    dimethyl sulfate 122.55
    ethyl butyrate 37.61
    methyl lactate 60.09
    butyl lactate 38.9
    diethyl carbonate 30.68
    propanediol butyl ether 36.36
    triethyl orthoformate 31.35
    p-tert-butyltoluene 13.42
    methyl 4-tert-butylbenzoate 56.77
    morpholine 172.03
    tert-butylamine 13.88
    n-dodecanol 3.73
    dimethoxymethane 161.77
    ethylene carbonate 93.0
    cyrene 66.37
    2-ethoxyethyl acetate 67.21
    2-ethylhexyl acetate 33.89
    1,2,4-trichlorobenzene 101.88
    4-methylpyridine 148.36
    dibutyl ether 7.71
    2,6-dimethyl-4-heptanol 10.0
    DEF 77.19
    dimethyl isosorbide 102.95
    tetrachloroethylene 131.92
    eugenol 57.13
    triacetin 54.1
    span 80 40.42
    1,4-butanediol 15.51
    1,1-dichloroethane 96.23
    2-methyl-1-pentanol 15.91
    methyl formate 90.03
    2-methyl-1-butanol 25.17
    n-decane 0.56
    butyronitrile 48.16
    3,7-dimethyl-1-octanol 10.05
    1-chlorooctane 4.69
    1-chlorotetradecane 1.41
    n-nonane 0.45
    undecane 0.36
    tert-butylcyclohexane 1.7
    cyclooctane 1.56
    cyclopentanol 53.05
    tetrahydropyran 123.03
    tert-amyl methyl ether 17.3
    2,5,8-trioxanonane 79.74
    1-hexene 6.37
    2-isopropoxyethanol 36.05
    2,2,2-trifluoroethanol 46.35
    methyl butyrate 47.96

    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