A-Dihomo-19,24-dinor-4a-oxa-16,17-secochola-2,9(11),20,22-tetraen-16-oic acid, 7-(acetyloxy)-14,15:21,23-diepoxy-17-hydroxy-4b,4b,8-trimethyl-4-oxo-, delta-lactone, (5alpha,7alpha,10xi,13alpha,14beta,15alpha,17alpha)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    85643-97-6

    Molecular formula
    C28H32O8

    SMILES
    CC(=O)OC1CC2C(C/C=C\C(=O)OC2(C)C)C3=CCC4(C(OC(=O)C5C4(C13C)O5)C6=COC=C6)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 42.04%
    Spicy 29.03%
    Odorless 26.88%
    Green 26.87%
    Floral 26.29%
    Sweet 25.26%
    Herbal 23.37%
    Fruity 22.45%
    Mint 21.95%
    Nutty 21.66%

     

    Flavor
    Bitter 89.25%
    Cedarleaf 21.27%
    Ripe apricot 20.34%
    Red fruit 20.01%
    Parsley 19.5%
    Lovage 19.37%
    Sweet-like 19.19%
    Old wood 18.86%
    Naphthalic 18.84%
    Cotton candy 18.76%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    5.48 (weak acid)

    Molecular weight
    496.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    667°C

    Flash point

    • 187.9 ˚C est.

  • Synonyms

    • 85643-97-6
    • RefChem:313806
    • A-Dihomo-19,24-dinor-4a-oxa-16,17-secochola-2,9(11),20,22-tetraen-16-oic acid, 7-(acetyloxy)-14,15:21,23-diepoxy-17-hydroxy-4b,4b,8-trimethyl-4-oxo-, delta-lactone, (5alpha,7alpha,10xi,13alpha,14beta,15alpha,17alpha)-
    • DTXSID201098599
    • 7alpha-1(10->19)-Abeo-7-acetoxyobacun-9(11)-ene
    • A-Dihomo-19,24-dinor-4a-oxa-16,17-secochola-2,9(11),20,22-tetraen-16-oic acid, 7-(acetyloxy)-14,15:21,23-diepoxy-17-hydroxy-4b,4b,8-trimethyl-4-oxo-, I -lactone, (5I+/-,7I+/-,10I(3/4),13I+/-,14I(2),15I+/-,17I+/-)-
    • 85643-97-6

  • Applications

    The compound A-Dihomo-19,24-dinor-4a-oxa-16,17-secochola-2,9(11),20,22-tetraen-16-oic acid, 7-(acetyloxy)-14,15:21,23-diepoxy-17-hydroxy-4b,4b,8-trimethyl-4-oxo-, delta-lactone, (5alpha,7alpha,10xi,13alpha,14beta,15alpha,17alpha) (CAS 85643-97-6) is primarily used as an advanced synthetic intermediate in pharmaceutical manufacturing, providing a steroidal framework for assembling active pharmaceutical ingredients. It is also commonly evaluated as a chiral building block in organic synthesis and as an intermediate in agrochemical research, including plant-growth regulator development. Its multiple functional groups (oxa bridge, epoxides, hydroxyls and a delta-lactone) enable transformations to diversified steroid-derived scaffolds, while it may serve as a reference material in stereochemical studies and as a precursor for higher-value specialty compounds in research and process development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.47
    methanol 8.93
    isopropanol 3.25
    water 0.05
    ethyl acetate 15.16
    n-propanol 6.51
    acetone 34.46
    n-butanol 4.43
    acetonitrile 34.5
    DMF 53.01
    toluene 6.63
    isobutanol 4.29
    1,4-dioxane 26.14
    methyl acetate 24.14
    THF 40.15
    2-butanone 28.48
    n-pentanol 4.58
    sec-butanol 3.35
    n-hexane 0.14
    ethylene glycol 4.23
    NMP 101.8
    cyclohexane 0.34
    DMSO 58.77
    n-butyl acetate 7.56
    n-octanol 1.82
    chloroform 61.0
    n-propyl acetate 10.91
    acetic acid 46.02
    dichloromethane 50.81
    cyclohexanone 38.41
    propylene glycol 3.82
    isopropyl acetate 8.61
    DMAc 83.84
    2-ethoxyethanol 16.1
    isopentanol 3.7
    n-heptane 0.13
    ethyl formate 14.07
    1,2-dichloroethane 23.44
    n-hexanol 3.83
    2-methoxyethanol 21.93
    isobutyl acetate 6.91
    tetrachloromethane 5.13
    n-pentyl acetate 7.11
    transcutol 14.14
    n-heptanol 2.92
    ethylbenzene 2.54
    MIBK 8.73
    2-propoxyethanol 20.52
    tert-butanol 2.99
    MTBE 3.13
    2-butoxyethanol 12.4
    propionic acid 18.87
    o-xylene 3.46
    formic acid 22.48
    diethyl ether 5.45
    m-xylene 3.08
    p-xylene 3.78
    chlorobenzene 12.89
    dimethyl carbonate 19.27
    n-octane 0.05
    formamide 31.55
    cyclopentanone 58.09
    2-pentanone 16.25
    anisole 8.65
    cyclopentyl methyl ether 9.84
    gamma-butyrolactone 64.38
    1-methoxy-2-propanol 15.08
    pyridine 37.88
    3-pentanone 16.58
    furfural 55.54
    n-dodecane 0.07
    diethylene glycol 17.32
    diisopropyl ether 1.16
    tert-amyl alcohol 3.05
    acetylacetone 25.37
    n-hexadecane 0.08
    acetophenone 15.45
    methyl propionate 20.38
    isopentyl acetate 6.96
    trichloroethylene 64.66
    n-nonanol 2.23
    cyclohexanol 4.88
    benzyl alcohol 11.69
    2-ethylhexanol 2.3
    isooctanol 2.41
    dipropyl ether 2.92
    1,2-dichlorobenzene 11.94
    ethyl lactate 9.45
    propylene carbonate 25.86
    n-methylformamide 32.88
    2-pentanol 2.07
    n-pentane 0.14
    1-propoxy-2-propanol 10.23
    1-methoxy-2-propyl acetate 13.43
    2-(2-methoxypropoxy) propanol 11.81
    mesitylene 1.49
    ε-caprolactone 31.73
    p-cymene 1.59
    epichlorohydrin 60.04
    1,1,1-trichloroethane 17.32
    2-aminoethanol 7.28
    morpholine-4-carbaldehyde 61.89
    sulfolane 72.97
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 17.84
    n-hexyl acetate 7.2
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 12.27
    sec-butyl acetate 6.37
    tert-butyl acetate 7.12
    decalin 0.24
    glycerin 10.18
    diglyme 22.1
    acrylic acid 27.09
    isopropyl myristate 2.5
    n-butyric acid 17.22
    acetyl acetate 17.02
    di(2-ethylhexyl) phthalate 6.6
    ethyl propionate 10.42
    nitromethane 96.43
    1,2-diethoxyethane 5.11
    benzonitrile 16.62
    trioctyl phosphate 3.54
    1-bromopropane 7.32
    gamma-valerolactone 83.03
    n-decanol 1.46
    triethyl phosphate 5.0
    4-methyl-2-pentanol 1.65
    propionitrile 19.66
    vinylene carbonate 34.42
    1,1,2-trichlorotrifluoroethane 47.43
    DMS 11.15
    cumene 1.62
    2-octanol 1.29
    2-hexanone 12.97
    octyl acetate 4.17
    limonene 2.02
    1,2-dimethoxyethane 21.22
    ethyl orthosilicate 4.16
    tributyl phosphate 3.56
    diacetone alcohol 11.81
    N,N-dimethylaniline 5.81
    acrylonitrile 34.6
    aniline 11.74
    1,3-propanediol 9.0
    bromobenzene 12.31
    dibromomethane 25.76
    1,1,2,2-tetrachloroethane 36.8
    2-methyl-cyclohexyl acetate 7.9
    tetrabutyl urea 6.18
    diisobutyl methanol 1.16
    2-phenylethanol 11.17
    styrene 3.63
    dioctyl adipate 5.9
    dimethyl sulfate 32.2
    ethyl butyrate 6.83
    methyl lactate 17.26
    butyl lactate 7.39
    diethyl carbonate 6.06
    propanediol butyl ether 7.87
    triethyl orthoformate 5.26
    p-tert-butyltoluene 1.31
    methyl 4-tert-butylbenzoate 11.27
    morpholine 27.68
    tert-butylamine 1.19
    n-dodecanol 0.97
    dimethoxymethane 27.56
    ethylene carbonate 24.82
    cyrene 24.58
    2-ethoxyethyl acetate 13.03
    2-ethylhexyl acetate 5.77
    1,2,4-trichlorobenzene 19.24
    4-methylpyridine 26.07
    dibutyl ether 1.44
    2,6-dimethyl-4-heptanol 1.16
    DEF 19.83
    dimethyl isosorbide 20.17
    tetrachloroethylene 24.31
    eugenol 13.08
    triacetin 12.67
    span 80 8.97
    1,4-butanediol 5.13
    1,1-dichloroethane 17.2
    2-methyl-1-pentanol 4.1
    methyl formate 26.04
    2-methyl-1-butanol 4.06
    n-decane 0.12
    butyronitrile 13.05
    3,7-dimethyl-1-octanol 1.78
    1-chlorooctane 0.89
    1-chlorotetradecane 0.37
    n-nonane 0.08
    undecane 0.09
    tert-butylcyclohexane 0.16
    cyclooctane 0.11
    cyclopentanol 8.3
    tetrahydropyran 13.39
    tert-amyl methyl ether 3.13
    2,5,8-trioxanonane 16.7
    1-hexene 0.96
    2-isopropoxyethanol 10.74
    2,2,2-trifluoroethanol 21.93
    methyl butyrate 12.8

    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