[(5R,9S,13S,14S)-5-formyl-14-hydroxy-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate

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  • Identifiers

    CAS number
    192584-48-8

    Molecular formula
    C22H34O4

    SMILES
    CC(=O)OC[C@@]1(CC23CCC4[C@](CCC[C@]4(C2CC[C@H]1C3)C)(C)C=O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 64.87%
    Amber 41.26%
    Fresh 38.33%
    Balsamic 36.2%
    Floral 35.2%
    Dry 34.86%
    Cedar 33.43%
    Herbal 29.14%
    Sandalwood 28.85%
    Clean 27.56%

     

    Flavor
    Sweet 46.48%
    Fruity 42.34%
    Herbal 38.34%
    Woody 36.98%
    Fruit 35.42%
    Spicy 31.98%
    Balsam 31.38%
    Bitter 31.18%
    Pine 30.79%
    Camphor 30.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    6.14 (neutral)

    Molecular weight
    362.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    367°C

    Melting point expt.

    • 215 - 216 °C

    Flash point

    • 229.17 ˚C est.

  • Synonyms

    • [(5R,9S,13S,14S)-5-formyl-14-hydroxy-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate
    • 192584-48-8
    • CHEBI:174847
    • (formyl-hydroxy-dimethyl-[?]yl)methyl acetate
    • 16.beta.-Hydroxy-17-acetoxy-ent-kauran-19-al
    • [(5R,9S,13S,14S)-5-ormyl-14-hydroxy-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate
    • 192584-48-8

  • Applications

    [(5R,9S,13S,14S)-5-formyl-14-hydroxy-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate (CAS 192584-48-8) is a rigid, multi-ring framework bearing a formyl group, a secondary hydroxyl, and an acetate ester; in pharmaceutical and industrial contexts it is typically used as a synthetic intermediate and a chiral building block for the synthesis of complex natural-product–like molecules, it is also evaluated as a scaffold in agrochemical research and as a specialty fragment for exploratory polymer and materials chemistry, where its tetracyclic core can influence stereochemistry and functionality; depending on formulation constraints it may serve in niche coatings/inks applications as a high-value additive or crosslinking piece in advanced materials, always subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 42.1
    methanol 48.36
    isopropanol 39.14
    water 0.25
    ethyl acetate 59.59
    n-propanol 53.57
    acetone 75.53
    n-butanol 41.99
    acetonitrile 46.47
    DMF 202.13
    toluene 66.83
    isobutanol 26.88
    1,4-dioxane 111.12
    methyl acetate 39.55
    THF 365.72
    2-butanone 52.34
    n-pentanol 15.89
    sec-butanol 11.69
    n-hexane 0.34
    ethylene glycol 9.18
    NMP 86.81
    cyclohexane 1.54
    DMSO 100.83
    n-butyl acetate 30.98
    n-octanol 6.69
    chloroform 219.42
    n-propyl acetate 26.84
    acetic acid 63.55
    dichloromethane 124.27
    cyclohexanone 88.18
    propylene glycol 12.98
    isopropyl acetate 49.27
    DMAc 106.14
    2-ethoxyethanol 51.96
    isopentanol 29.11
    n-heptane 0.33
    ethyl formate 31.07
    1,2-dichloroethane 61.84
    n-hexanol 21.83
    2-methoxyethanol 124.13
    isobutyl acetate 22.04
    tetrachloromethane 15.73
    n-pentyl acetate 22.79
    transcutol 126.89
    n-heptanol 11.9
    ethylbenzene 13.58
    MIBK 39.92
    2-propoxyethanol 108.02
    tert-butanol 27.11
    MTBE 11.93
    2-butoxyethanol 47.72
    propionic acid 32.18
    o-xylene 20.37
    formic acid 31.69
    diethyl ether 25.57
    m-xylene 31.77
    p-xylene 14.65
    chlorobenzene 62.97
    dimethyl carbonate 47.12
    n-octane 0.17
    formamide 52.64
    cyclopentanone 143.38
    2-pentanone 58.11
    anisole 41.75
    cyclopentyl methyl ether 59.38
    gamma-butyrolactone 158.43
    1-methoxy-2-propanol 117.78
    pyridine 133.26
    3-pentanone 35.51
    furfural 137.36
    n-dodecane 0.15
    diethylene glycol 78.88
    diisopropyl ether 6.33
    tert-amyl alcohol 8.76
    acetylacetone 91.96
    n-hexadecane 0.19
    acetophenone 44.06
    methyl propionate 56.28
    isopentyl acetate 31.96
    trichloroethylene 173.92
    n-nonanol 7.95
    cyclohexanol 22.68
    benzyl alcohol 43.77
    2-ethylhexanol 9.22
    isooctanol 9.61
    dipropyl ether 10.69
    1,2-dichlorobenzene 46.74
    ethyl lactate 24.65
    propylene carbonate 71.6
    n-methylformamide 86.36
    2-pentanol 13.8
    n-pentane 0.58
    1-propoxy-2-propanol 58.59
    1-methoxy-2-propyl acetate 73.52
    2-(2-methoxypropoxy) propanol 37.55
    mesitylene 12.81
    ε-caprolactone 75.55
    p-cymene 7.1
    epichlorohydrin 192.97
    1,1,1-trichloroethane 51.02
    2-aminoethanol 30.16
    morpholine-4-carbaldehyde 125.69
    sulfolane 123.7
    2,2,4-trimethylpentane 0.35
    2-methyltetrahydrofuran 67.84
    n-hexyl acetate 24.09
    isooctane 0.44
    2-(2-butoxyethoxy)ethanol 53.64
    sec-butyl acetate 21.18
    tert-butyl acetate 42.77
    decalin 0.85
    glycerin 32.84
    diglyme 98.22
    acrylic acid 35.47
    isopropyl myristate 8.35
    n-butyric acid 66.88
    acetyl acetate 56.96
    di(2-ethylhexyl) phthalate 16.21
    ethyl propionate 28.74
    nitromethane 106.93
    1,2-diethoxyethane 28.83
    benzonitrile 53.59
    trioctyl phosphate 10.41
    1-bromopropane 22.13
    gamma-valerolactone 203.38
    n-decanol 4.91
    triethyl phosphate 15.57
    4-methyl-2-pentanol 11.55
    propionitrile 46.7
    vinylene carbonate 79.18
    1,1,2-trichlorotrifluoroethane 103.94
    DMS 34.5
    cumene 6.98
    2-octanol 4.9
    2-hexanone 23.16
    octyl acetate 11.35
    limonene 6.97
    1,2-dimethoxyethane 75.73
    ethyl orthosilicate 14.37
    tributyl phosphate 10.89
    diacetone alcohol 53.06
    N,N-dimethylaniline 22.64
    acrylonitrile 68.55
    aniline 75.78
    1,3-propanediol 59.5
    bromobenzene 62.53
    dibromomethane 64.29
    1,1,2,2-tetrachloroethane 120.74
    2-methyl-cyclohexyl acetate 23.95
    tetrabutyl urea 14.63
    diisobutyl methanol 6.04
    2-phenylethanol 49.5
    styrene 18.15
    dioctyl adipate 17.19
    dimethyl sulfate 64.88
    ethyl butyrate 25.24
    methyl lactate 45.28
    butyl lactate 27.06
    diethyl carbonate 19.41
    propanediol butyl ether 31.41
    triethyl orthoformate 21.2
    p-tert-butyltoluene 6.95
    methyl 4-tert-butylbenzoate 39.64
    morpholine 142.29
    tert-butylamine 8.74
    n-dodecanol 2.94
    dimethoxymethane 170.41
    ethylene carbonate 64.77
    cyrene 52.11
    2-ethoxyethyl acetate 46.98
    2-ethylhexyl acetate 21.66
    1,2,4-trichlorobenzene 61.69
    4-methylpyridine 116.28
    dibutyl ether 5.18
    2,6-dimethyl-4-heptanol 6.04
    DEF 46.45
    dimethyl isosorbide 77.44
    tetrachloroethylene 73.19
    eugenol 44.12
    triacetin 37.19
    span 80 28.75
    1,4-butanediol 15.18
    1,1-dichloroethane 60.9
    2-methyl-1-pentanol 11.44
    methyl formate 53.75
    2-methyl-1-butanol 17.71
    n-decane 0.32
    butyronitrile 43.44
    3,7-dimethyl-1-octanol 7.75
    1-chlorooctane 2.71
    1-chlorotetradecane 0.85
    n-nonane 0.25
    undecane 0.21
    tert-butylcyclohexane 0.64
    cyclooctane 0.51
    cyclopentanol 32.41
    tetrahydropyran 79.82
    tert-amyl methyl ether 8.25
    2,5,8-trioxanonane 62.3
    1-hexene 2.31
    2-isopropoxyethanol 32.44
    2,2,2-trifluoroethanol 32.61
    methyl butyrate 33.04

    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