1,3-Benzenedicarboxaldehyde, 5-[(1R)-1-[(1S,4R,4aR,6R,8aS)-decahydro-4-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-1-naphthalenyl]-3-methylbutyl]-2,4,6-trihydroxy-

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  • Identifiers

    CAS number
    179388-54-6

    Molecular formula
    C28H42O7

    SMILES
    CC(C)C[C@H]([C@@H]1CC[C@@]([C@H]2[C@]1(CC[C@H](C2)C(C)(C)O)C)(C)O)C3=C(C(=C(C(=C3O)C=O)O)C=O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 49.46%
    Odorless 38.49%
    Spicy 36.94%
    Balsamic 34.83%
    Sweet 33.91%
    Herbal 32.7%
    Mint 29.07%
    Dry 27.37%
    Fresh 27.03%
    Cooling 26.95%

     

    Flavor
    Bitter 57.85%
    Woody 28.31%
    Herbal 25.95%
    Mild 25.77%
    Odorless 23.37%
    Minty 22.19%
    Cedarleaf 21.69%
    Heather 20.12%
    Clary 20.05%
    Broom 19.79%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    8.78 (weak base)

    Molecular weight
    490.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    898°C

    Flash point

    • 223.56 ˚C est.

  • Synonyms

    • 179388-54-6
    • 1,3-Benzenedicarboxaldehyde, 5-[(1R)-1-[(1S,4R,4aR,6R,8aS)-decahydro-4-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-1-naphthalenyl]-3-methylbutyl]-2,4,6-trihydroxy-
    • C28H42O7
    • 5-[(1R)-1-[(1S,4R,4Ar,6R,8aS)-4-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
    • orb1682175
    • CHEBI:168083
    • 5-[(1R)-1-[(1S,4R,4aR,6R,8aS)-Decahydro-4-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-1-naphthalenyl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde; 9'-epi-Macrocarpal J
    • HY-N3340
    • MFCD20261070
    • DA-55164
    • FS-10497
    • CS-0023933
    • 5-[(1R)-1-[(1S,4R,4aR,6R,8aS)-4-hydroxy-6-(1-hydroxy-1-methyl-ethyl)-4,8a-dimethyl-decalin-1-yl]-3-methyl-butyl]-2,4,6-trihydroxy-benzene-1,3-dicarbaldehyde
    • 5-[(1R)-1-[(1S,4R,4aR,6R,8aS)-Decahydro-4-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-1-naphthalenyl]-3-methylbutyl]-2,4,6-trihydroxy-1,3-benzenedicarboxaldehyde
    • 179388-54-6

  • Applications

    1,3-Benzenedicarboxaldehyde, 5-[(1R)-1-[(1S,4R,4aR,6R,8aS)-decahydro-4-hydroxy-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-1-naphthalenyl]-3-methylbutyl]-2,4,6-trihydroxy- (CAS 179388-54-6) is primarily regarded as a fragrance ingredient in perfumery, capable of functioning as a fragrance fixative and extending aroma longevity due to its high molecular weight and relatively low volatility. It is also evaluated as a fragrance component in cosmetics and personal care products, potentially used in moisturizers, cleansers, or shampoos to impart a scent. In household products such as cleaners, laundry products, and air fresheners, it can be used as a fragrance ingredient. Industrially, it may serve as a chemical intermediate or building block for synthesizing fragrance compounds or specialty polymers, resins, and coatings, owing to its aldehyde functionality and bulky aryl-alkyl core. Its use should comply with local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27.46
    methanol 80.9
    isopropanol 7.45
    water 0.17
    ethyl acetate 12.11
    n-propanol 15.45
    acetone 33.37
    n-butanol 6.65
    acetonitrile 8.99
    DMF 239.34
    toluene 4.0
    isobutanol 6.25
    1,4-dioxane 46.43
    methyl acetate 15.27
    THF 185.64
    2-butanone 19.0
    n-pentanol 7.89
    sec-butanol 4.26
    n-hexane 0.24
    ethylene glycol 22.43
    NMP 223.49
    cyclohexane 0.22
    DMSO 224.8
    n-butyl acetate 10.09
    n-octanol 3.23
    chloroform 12.34
    n-propyl acetate 10.94
    acetic acid 86.13
    dichloromethane 12.88
    cyclohexanone 28.34
    propylene glycol 44.46
    isopropyl acetate 8.97
    DMAc 144.89
    2-ethoxyethanol 57.9
    isopentanol 4.54
    n-heptane 0.21
    ethyl formate 12.01
    1,2-dichloroethane 9.63
    n-hexanol 6.07
    2-methoxyethanol 132.38
    isobutyl acetate 7.58
    tetrachloromethane 1.61
    n-pentyl acetate 9.5
    transcutol 93.54
    n-heptanol 5.01
    ethylbenzene 2.18
    MIBK 9.82
    2-propoxyethanol 82.12
    tert-butanol 6.47
    MTBE 3.78
    2-butoxyethanol 33.59
    propionic acid 25.12
    o-xylene 2.47
    formic acid 77.54
    diethyl ether 5.54
    m-xylene 3.28
    p-xylene 2.72
    chlorobenzene 4.5
    dimethyl carbonate 28.93
    n-octane 0.11
    formamide 81.13
    cyclopentanone 89.98
    2-pentanone 14.29
    anisole 9.54
    cyclopentyl methyl ether 23.57
    gamma-butyrolactone 134.77
    1-methoxy-2-propanol 95.82
    pyridine 29.27
    3-pentanone 10.19
    furfural 72.77
    n-dodecane 0.07
    diethylene glycol 80.4
    diisopropyl ether 1.36
    tert-amyl alcohol 4.19
    acetylacetone 40.45
    n-hexadecane 0.08
    acetophenone 15.15
    methyl propionate 23.04
    isopentyl acetate 9.14
    trichloroethylene 25.19
    n-nonanol 3.21
    cyclohexanol 4.62
    benzyl alcohol 13.99
    2-ethylhexanol 2.95
    isooctanol 3.74
    dipropyl ether 5.32
    1,2-dichlorobenzene 5.24
    ethyl lactate 17.81
    propylene carbonate 40.96
    n-methylformamide 96.86
    2-pentanol 2.98
    n-pentane 0.18
    1-propoxy-2-propanol 43.32
    1-methoxy-2-propyl acetate 35.44
    2-(2-methoxypropoxy) propanol 29.96
    mesitylene 1.8
    ε-caprolactone 32.7
    p-cymene 1.77
    epichlorohydrin 96.71
    1,1,1-trichloroethane 5.65
    2-aminoethanol 48.21
    morpholine-4-carbaldehyde 181.47
    sulfolane 238.03
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 29.54
    n-hexyl acetate 10.23
    isooctane 0.12
    2-(2-butoxyethoxy)ethanol 41.64
    sec-butyl acetate 6.08
    tert-butyl acetate 13.3
    decalin 0.25
    glycerin 91.47
    diglyme 69.53
    acrylic acid 37.9
    isopropyl myristate 2.65
    n-butyric acid 19.52
    acetyl acetate 13.49
    di(2-ethylhexyl) phthalate 7.5
    ethyl propionate 9.38
    nitromethane 128.8
    1,2-diethoxyethane 14.72
    benzonitrile 8.25
    trioctyl phosphate 4.48
    1-bromopropane 2.68
    gamma-valerolactone 170.62
    n-decanol 1.95
    triethyl phosphate 6.2
    4-methyl-2-pentanol 2.58
    propionitrile 6.87
    vinylene carbonate 35.23
    1,1,2-trichlorotrifluoroethane 96.98
    DMS 17.24
    cumene 1.64
    2-octanol 2.19
    2-hexanone 11.35
    octyl acetate 4.71
    limonene 2.17
    1,2-dimethoxyethane 55.91
    ethyl orthosilicate 5.44
    tributyl phosphate 4.55
    diacetone alcohol 32.09
    N,N-dimethylaniline 8.5
    acrylonitrile 15.24
    aniline 8.54
    1,3-propanediol 34.7
    bromobenzene 3.93
    dibromomethane 5.93
    1,1,2,2-tetrachloroethane 18.69
    2-methyl-cyclohexyl acetate 9.63
    tetrabutyl urea 6.96
    diisobutyl methanol 2.05
    2-phenylethanol 14.6
    styrene 2.43
    dioctyl adipate 7.27
    dimethyl sulfate 69.37
    ethyl butyrate 7.82
    methyl lactate 47.93
    butyl lactate 17.38
    diethyl carbonate 5.35
    propanediol butyl ether 40.98
    triethyl orthoformate 7.8
    p-tert-butyltoluene 1.94
    methyl 4-tert-butylbenzoate 21.15
    morpholine 70.53
    tert-butylamine 1.7
    n-dodecanol 1.17
    dimethoxymethane 123.25
    ethylene carbonate 24.65
    cyrene 60.74
    2-ethoxyethyl acetate 22.89
    2-ethylhexyl acetate 6.55
    1,2,4-trichlorobenzene 8.29
    4-methylpyridine 17.83
    dibutyl ether 2.3
    2,6-dimethyl-4-heptanol 2.05
    DEF 23.36
    dimethyl isosorbide 72.9
    tetrachloroethylene 12.25
    eugenol 24.82
    triacetin 25.0
    span 80 25.98
    1,4-butanediol 16.04
    1,1-dichloroethane 5.28
    2-methyl-1-pentanol 4.79
    methyl formate 71.61
    2-methyl-1-butanol 4.38
    n-decane 0.15
    butyronitrile 5.08
    3,7-dimethyl-1-octanol 2.75
    1-chlorooctane 0.97
    1-chlorotetradecane 0.29
    n-nonane 0.13
    undecane 0.1
    tert-butylcyclohexane 0.24
    cyclooctane 0.13
    cyclopentanol 13.38
    tetrahydropyran 16.17
    tert-amyl methyl ether 3.6
    2,5,8-trioxanonane 44.1
    1-hexene 1.1
    2-isopropoxyethanol 28.67
    2,2,2-trifluoroethanol 28.49
    methyl butyrate 12.37

    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