(1aR,4E,7aS,13S,13aS,13bR)-1,1a,2,3,6,7,7a,13,13a,13b-Decahydro-10,12-dihydroxy-1,1,4,7a-tetramethyl-13-(2-methylpropyl)benzo(b)cyclopropa(9,10)cyclodeca(1,2-e)pyran-9,11-dicarboxaldehyde

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  • Identifiers

    CAS number
    77794-65-1

    Molecular formula
    C28H38O5

    SMILES
    C/C/1=C/CCC2(C(C(C3=C(C(=C(C(=C3O2)C=O)O)C=O)O)CC(C)C)C4C(C4(C)C)CC1)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 47.46%
    Spicy 45.83%
    Herbal 40.13%
    Fresh 28.74%
    Mint 28.16%
    Dry 26.61%
    Green 25.7%
    Phenolic 25.58%
    Balsamic 24.94%
    Sweet 24.69%

     

    Flavor
    Bitter 68.71%
    Herbal 33.97%
    Woody 31.58%
    Spice 22.62%
    Cedarleaf 21.79%
    Spicy 21.65%
    Lovage 20.43%
    Parsley 20.06%
    Heather 19.67%
    Red fruit 19.6%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.9

    pKa est.
    9.41 (weak base)

    Molecular weight
    454.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    631°C

    Flash point

    • 176.53 ˚C est.

  • Synonyms

    • (1aR,4E,7aS,13S,13aS,13bR)-1,1a,2,3,6,7,7a,13,13a,13b-Decahydro-10,12-dihydroxy-1,1,4,7a-tetramethyl-13-(2-methylpropyl)benzo[b]cyclopropa[9,10]cyclodeca[1,2-e]pyran-9,11-dicarboxaldehyde
    • 77794-65-1
    • (1aR,4E,7aS,13S,13aS,13bR)-1,1a,2,3,6,7,7a,13,13a,13b-Decahydro-10,12-dihydroxy-1,1,4,7a-tetramethyl-13-(2-methylpropyl)benzo(b)cyclopropa(9,10)cyclodeca(1,2-e)pyran-9,11-dicarboxaldehyde
    • RefChem:204782
    • Euglobal IVa
    • CHEBI:175628
    • DTXSID601098634
    • (7Z)-15,17-dihydroxy-3,3,7,11-tetramethyl-19-(2-methylpropyl)-12-oxatetracyclo[9.8.0.02,4.013,18]nonadeca-7,13,15,17-tetraene-14,16-dicarbaldehyde
    • 77794-65-1

  • Applications

    The compound (1aR,4E,7aS,13S,13aS,13bR)-1,1a,2,3,6,7,7a,13,13a,13b-Decahydro-10,12-dihydroxy-1,1,4,7a-tetramethyl-13-(2-methylpropyl)benzo(b)cyclopropa(9,10)cyclodeca(1,2-e)pyran-9,11-dicarboxaldehyde (CAS 77794-65-1) may be used as an odorant or fragrance-intermediate in perfumery and cosmetic formulations, and can serve as a chiral (asymmetric) building block or reactive intermediate for the synthesis of novel scent compounds. In industrial manufacturing, it could be employed for fragrance formulation development and as a specialized precursor in research contexts. It may also be evaluated as a building block in pharmaceutical or agrochemical research, subject to regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.09
    methanol 12.05
    isopropanol 15.86
    water 0.03
    ethyl acetate 37.28
    n-propanol 25.06
    acetone 41.67
    n-butanol 24.21
    acetonitrile 17.78
    DMF 64.57
    toluene 25.04
    isobutanol 21.3
    1,4-dioxane 55.45
    methyl acetate 37.58
    THF 127.82
    2-butanone 61.06
    n-pentanol 24.56
    sec-butanol 18.2
    n-hexane 1.17
    ethylene glycol 5.03
    NMP 144.6
    cyclohexane 1.78
    DMSO 50.23
    n-butyl acetate 37.01
    n-octanol 11.48
    chloroform 87.45
    n-propyl acetate 34.43
    acetic acid 48.53
    dichloromethane 61.94
    cyclohexanone 94.89
    propylene glycol 14.8
    isopropyl acetate 33.97
    DMAc 114.49
    2-ethoxyethanol 43.23
    isopentanol 24.36
    n-heptane 1.08
    ethyl formate 22.0
    1,2-dichloroethane 42.24
    n-hexanol 23.68
    2-methoxyethanol 48.3
    isobutyl acetate 33.59
    tetrachloromethane 10.37
    n-pentyl acetate 34.61
    transcutol 92.56
    n-heptanol 15.61
    ethylbenzene 14.24
    MIBK 36.31
    2-propoxyethanol 66.0
    tert-butanol 17.09
    MTBE 19.59
    2-butoxyethanol 47.62
    propionic acid 37.34
    o-xylene 15.45
    formic acid 12.35
    diethyl ether 19.8
    m-xylene 17.51
    p-xylene 18.71
    chlorobenzene 34.71
    dimethyl carbonate 27.24
    n-octane 0.48
    formamide 16.92
    cyclopentanone 119.18
    2-pentanone 49.05
    anisole 33.91
    cyclopentyl methyl ether 47.72
    gamma-butyrolactone 114.17
    1-methoxy-2-propanol 54.89
    pyridine 65.76
    3-pentanone 41.77
    furfural 78.52
    n-dodecane 0.46
    diethylene glycol 39.11
    diisopropyl ether 8.2
    tert-amyl alcohol 17.97
    acetylacetone 55.18
    n-hexadecane 0.55
    acetophenone 45.73
    methyl propionate 43.94
    isopentyl acetate 41.9
    trichloroethylene 106.11
    n-nonanol 12.7
    cyclohexanol 26.04
    benzyl alcohol 36.27
    2-ethylhexanol 16.4
    isooctanol 14.15
    dipropyl ether 16.46
    1,2-dichlorobenzene 31.8
    ethyl lactate 30.33
    propylene carbonate 60.28
    n-methylformamide 28.16
    2-pentanol 16.73
    n-pentane 1.09
    1-propoxy-2-propanol 48.68
    1-methoxy-2-propyl acetate 59.27
    2-(2-methoxypropoxy) propanol 44.73
    mesitylene 9.54
    ε-caprolactone 88.35
    p-cymene 10.24
    epichlorohydrin 116.57
    1,1,1-trichloroethane 42.01
    2-aminoethanol 15.42
    morpholine-4-carbaldehyde 109.7
    sulfolane 153.35
    2,2,4-trimethylpentane 1.27
    2-methyltetrahydrofuran 63.67
    n-hexyl acetate 38.14
    isooctane 0.93
    2-(2-butoxyethoxy)ethanol 53.66
    sec-butyl acetate 29.99
    tert-butyl acetate 36.73
    decalin 2.05
    glycerin 25.02
    diglyme 77.04
    acrylic acid 38.76
    isopropyl myristate 14.97
    n-butyric acid 48.57
    acetyl acetate 30.36
    di(2-ethylhexyl) phthalate 24.74
    ethyl propionate 30.49
    nitromethane 57.45
    1,2-diethoxyethane 30.01
    benzonitrile 35.52
    trioctyl phosphate 16.41
    1-bromopropane 23.09
    gamma-valerolactone 165.35
    n-decanol 8.52
    triethyl phosphate 21.43
    4-methyl-2-pentanol 14.52
    propionitrile 24.76
    vinylene carbonate 57.39
    1,1,2-trichlorotrifluoroethane 102.07
    DMS 37.94
    cumene 10.45
    2-octanol 9.3
    2-hexanone 42.38
    octyl acetate 20.78
    limonene 12.67
    1,2-dimethoxyethane 53.66
    ethyl orthosilicate 20.14
    tributyl phosphate 17.48
    diacetone alcohol 53.17
    N,N-dimethylaniline 25.47
    acrylonitrile 31.66
    aniline 33.98
    1,3-propanediol 24.52
    bromobenzene 34.04
    dibromomethane 41.73
    1,1,2,2-tetrachloroethane 78.99
    2-methyl-cyclohexyl acetate 38.38
    tetrabutyl urea 23.78
    diisobutyl methanol 10.51
    2-phenylethanol 41.03
    styrene 16.45
    dioctyl adipate 27.51
    dimethyl sulfate 47.06
    ethyl butyrate 29.47
    methyl lactate 41.53
    butyl lactate 36.62
    diethyl carbonate 21.12
    propanediol butyl ether 39.77
    triethyl orthoformate 26.66
    p-tert-butyltoluene 9.86
    methyl 4-tert-butylbenzoate 43.37
    morpholine 74.22
    tert-butylamine 8.29
    n-dodecanol 5.7
    dimethoxymethane 47.94
    ethylene carbonate 47.25
    cyrene 73.7
    2-ethoxyethyl acetate 52.37
    2-ethylhexyl acetate 34.74
    1,2,4-trichlorobenzene 50.64
    4-methylpyridine 61.42
    dibutyl ether 9.7
    2,6-dimethyl-4-heptanol 10.51
    DEF 49.31
    dimethyl isosorbide 80.46
    tetrachloroethylene 44.71
    eugenol 42.87
    triacetin 49.47
    span 80 40.72
    1,4-butanediol 13.69
    1,1-dichloroethane 38.93
    2-methyl-1-pentanol 24.03
    methyl formate 20.51
    2-methyl-1-butanol 24.06
    n-decane 0.82
    butyronitrile 24.86
    3,7-dimethyl-1-octanol 12.8
    1-chlorooctane 5.43
    1-chlorotetradecane 2.14
    n-nonane 0.65
    undecane 0.59
    tert-butylcyclohexane 1.79
    cyclooctane 0.82
    cyclopentanol 31.1
    tetrahydropyran 49.89
    tert-amyl methyl ether 19.16
    2,5,8-trioxanonane 55.67
    1-hexene 6.24
    2-isopropoxyethanol 38.71
    2,2,2-trifluoroethanol 18.39
    methyl butyrate 37.35

    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