(3S,3aS,6aS,8R,10S,10aR)-3,3a,6,6a,7,8,9,10-Octahydro-3,8,10-trihydroxy-7,7-dimethyl-1-oxo-1H-naphtho[1,8a-c]furan-4-carboxaldehyde

Overview IFRA Request a quote

  • Identifiers

    CAS number
    124869-10-9

    Molecular formula
    C15H20O6

    SMILES
    CC1(C2CC=C(C3C2(C(CC1O)O)C(=O)OC3O)C=O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 49.26%
    Sweet 36.04%
    Spicy 33.14%
    Mint 28.92%
    Woody 27.33%
    Cooling 23.04%
    Nutty 20.6%
    Herbal 20.42%
    Phenolic 18.19%
    Camphoreous 17.75%

     

    Flavor
    Bitter 86.34%
    Cedarleaf 21.38%
    Sweet-like 20.7%
    Fenugreek 19.85%
    Leaves 19.8%
    Lovage 19.68%
    Ripe apricot 19.43%
    Seedy 19.42%
    Cotton candy 19.38%
    Extremely sweet 19.28%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    5.74 (weak acid)

    Molecular weight
    296.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    995°C

    Flash point

    • 232.78 ˚C est.

  • Synonyms

    • DTXSID001102495
    • (3S,3aS,6aS,8R,10S,10aR)-3,3a,6,6a,7,8,9,10-Octahydro-3,8,10-trihydroxy-7,7-dimethyl-1-oxo-1H-naphtho[1,8a-c]furan-4-carboxaldehyde
    • 124869-10-9
    • 124869-10-9

  • Applications

    This polyhydroxylated naphtho-furan aldehyde is typically used as a specialty building block in synthetic chemistry, serving as an intermediate for pharmaceutical and natural product-like compound synthesis; it is sometimes explored in fragrance research as a potential odorant precursor or core for polyphenolic fragrance molecules; in cosmetics and personal care, it may be used as a synthetic starting material for functionalized polyphenolic derivatives in research or formulation studies; it can function as an aldehyde-containing crosslinking partner in coatings, inks, and adhesives under controlled conditions; and it is used as an analytical reference material or standard for method development and quality control in chemical laboratories. For reference, the chemical name is (3S,3aS,6aS,8R,10S,10aR)-3,3a,6,6a,7,8,9,10-Octahydro-3,8,10-trihydroxy-7,7-dimethyl-1-oxo-1H-naphtho[1,8a-c]furan-4-carboxaldehyde and CAS number 124869-10-9. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.91
    methanol 33.57
    isopropanol 3.01
    water 0.86
    ethyl acetate 7.65
    n-propanol 3.84
    acetone 16.0
    n-butanol 3.34
    acetonitrile 8.4
    DMF 57.47
    toluene 2.64
    isobutanol 2.07
    1,4-dioxane 22.43
    methyl acetate 8.77
    THF 72.72
    2-butanone 10.0
    n-pentanol 2.41
    sec-butanol 1.37
    n-hexane 0.09
    ethylene glycol 11.15
    NMP 78.05
    cyclohexane 0.21
    DMSO 163.14
    n-butyl acetate 7.47
    n-octanol 2.04
    chloroform 10.8
    n-propyl acetate 5.45
    acetic acid 16.24
    dichloromethane 12.97
    cyclohexanone 26.53
    propylene glycol 4.25
    isopropyl acetate 5.2
    DMAc 52.78
    2-ethoxyethanol 16.89
    isopentanol 3.11
    n-heptane 0.12
    ethyl formate 10.24
    1,2-dichloroethane 9.43
    n-hexanol 4.81
    2-methoxyethanol 46.89
    isobutyl acetate 3.16
    tetrachloromethane 2.45
    n-pentyl acetate 5.18
    transcutol 9.82
    n-heptanol 3.53
    ethylbenzene 1.52
    MIBK 6.81
    2-propoxyethanol 29.78
    tert-butanol 3.32
    MTBE 0.78
    2-butoxyethanol 13.2
    propionic acid 7.18
    o-xylene 2.05
    formic acid 47.64
    diethyl ether 2.08
    m-xylene 2.54
    p-xylene 2.24
    chlorobenzene 3.8
    dimethyl carbonate 13.44
    n-octane 0.08
    formamide 58.49
    cyclopentanone 56.93
    2-pentanone 9.37
    anisole 4.35
    cyclopentyl methyl ether 8.97
    gamma-butyrolactone 64.35
    1-methoxy-2-propanol 25.53
    pyridine 16.2
    3-pentanone 6.36
    furfural 47.95
    n-dodecane 0.07
    diethylene glycol 39.75
    diisopropyl ether 0.65
    tert-amyl alcohol 1.59
    acetylacetone 20.18
    n-hexadecane 0.09
    acetophenone 9.96
    methyl propionate 10.73
    isopentyl acetate 6.6
    trichloroethylene 20.85
    n-nonanol 2.25
    cyclohexanol 3.67
    benzyl alcohol 7.18
    2-ethylhexanol 2.72
    isooctanol 2.68
    dipropyl ether 2.01
    1,2-dichlorobenzene 4.85
    ethyl lactate 8.05
    propylene carbonate 23.13
    n-methylformamide 41.07
    2-pentanol 1.34
    n-pentane 0.08
    1-propoxy-2-propanol 12.32
    1-methoxy-2-propyl acetate 14.9
    2-(2-methoxypropoxy) propanol 9.41
    mesitylene 1.59
    ε-caprolactone 21.43
    p-cymene 1.82
    epichlorohydrin 55.24
    1,1,1-trichloroethane 5.11
    2-aminoethanol 9.73
    morpholine-4-carbaldehyde 61.64
    sulfolane 99.4
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 12.6
    n-hexyl acetate 5.46
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 10.15
    sec-butyl acetate 3.16
    tert-butyl acetate 6.06
    decalin 0.2
    glycerin 20.68
    diglyme 20.47
    acrylic acid 12.05
    isopropyl myristate 2.12
    n-butyric acid 9.53
    acetyl acetate 8.29
    di(2-ethylhexyl) phthalate 4.91
    ethyl propionate 5.87
    nitromethane 47.65
    1,2-diethoxyethane 3.31
    benzonitrile 9.16
    trioctyl phosphate 3.87
    1-bromopropane 2.09
    gamma-valerolactone 71.25
    n-decanol 1.54
    triethyl phosphate 5.18
    4-methyl-2-pentanol 1.52
    propionitrile 5.53
    vinylene carbonate 22.56
    1,1,2-trichlorotrifluoroethane 42.66
    DMS 8.72
    cumene 1.23
    2-octanol 1.45
    2-hexanone 6.07
    octyl acetate 3.24
    limonene 1.98
    1,2-dimethoxyethane 24.49
    ethyl orthosilicate 4.06
    tributyl phosphate 3.61
    diacetone alcohol 14.44
    N,N-dimethylaniline 3.81
    acrylonitrile 13.22
    aniline 4.92
    1,3-propanediol 14.93
    bromobenzene 3.3
    dibromomethane 5.76
    1,1,2,2-tetrachloroethane 13.81
    2-methyl-cyclohexyl acetate 6.47
    tetrabutyl urea 6.17
    diisobutyl methanol 1.54
    2-phenylethanol 10.51
    styrene 1.4
    dioctyl adipate 4.16
    dimethyl sulfate 33.03
    ethyl butyrate 5.77
    methyl lactate 18.45
    butyl lactate 6.76
    diethyl carbonate 4.77
    propanediol butyl ether 7.8
    triethyl orthoformate 4.58
    p-tert-butyltoluene 1.5
    methyl 4-tert-butylbenzoate 10.39
    morpholine 23.76
    tert-butylamine 0.74
    n-dodecanol 1.03
    dimethoxymethane 38.56
    ethylene carbonate 18.58
    cyrene 25.3
    2-ethoxyethyl acetate 8.46
    2-ethylhexyl acetate 5.07
    1,2,4-trichlorobenzene 6.69
    4-methylpyridine 11.64
    dibutyl ether 1.02
    2,6-dimethyl-4-heptanol 1.54
    DEF 13.83
    dimethyl isosorbide 24.02
    tetrachloroethylene 12.38
    eugenol 12.13
    triacetin 7.63
    span 80 7.92
    1,4-butanediol 5.8
    1,1-dichloroethane 4.07
    2-methyl-1-pentanol 2.32
    methyl formate 38.98
    2-methyl-1-butanol 2.12
    n-decane 0.13
    butyronitrile 5.01
    3,7-dimethyl-1-octanol 1.89
    1-chlorooctane 0.77
    1-chlorotetradecane 0.32
    n-nonane 0.1
    undecane 0.09
    tert-butylcyclohexane 0.13
    cyclooctane 0.11
    cyclopentanol 7.27
    tetrahydropyran 7.6
    tert-amyl methyl ether 1.1
    2,5,8-trioxanonane 15.6
    1-hexene 0.43
    2-isopropoxyethanol 8.35
    2,2,2-trifluoroethanol 17.53
    methyl butyrate 8.4

    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