(-)-Inophyllum P

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  • Identifiers

    CAS number
    65025-62-9

    Molecular formula
    C25H24O5

    SMILES
    C[C@H]1[C@@H](OC2=C([C@H]1O)C3=C(C(=CC(=O)O3)C4=CC=CC=C4)C5=C2C=CC(O5)(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 46.42%
    Floral 32.06%
    Powdery 30.31%
    Phenolic 30.18%
    Coumarinic 28.52%
    Spicy 26.0%
    Vanilla 25.53%
    Animal 24.08%
    Fruity 23.15%
    Creamy 23.13%

     

    Flavor
    Bitter 94.06%
    Cedarleaf 19.97%
    Parsley 19.41%
    Lovage 19.19%
    Ripe apricot 18.74%
    Red fruit 18.54%
    Sweet-like 18.16%
    Heather 17.62%
    Nitrile 17.57%
    Indole 17.52%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    7.38 (neutral)

    Molecular weight
    404.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1066°C

    Flash point

    • 229.18 ˚C est.

  • Synonyms

    • Soulattrolide
    • 65025-62-9
    • CHEBI:66516
    • DTXSID60215355
    • (10alpha,11beta,12beta)-(-)-11,12-Dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-phenyl-2H,6H,10H-benzo(1,2-b:3,4-b':5,6-b'')tripyran-2-one
    • (16S,17R,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one
    • (16S,17R,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo(12.4.0.02,7.08,13)octadeca-1(14),2(7),5,8(13),11-pentaen-4-one
    • (-)-Inophyllum P
    • RefChem:905559
    • DTXCID60137846
    • CHEMBL466773
    • 11,12-Dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-phenyl-2,6,10-benzotripyran-2-one
    • hydroxy-tetramethyl-phenyl-[?]one
    • (10s,11r,12s)-12-hydroxy-6,6,10,11-tetramethyl-4-phenyl-11,12-dihydro-2h,6h,10h-dipyrano[2,3-f:2',3'-h]chromen-2-one
    • orb2814950
    • BDBM50292362
    • Q27135123
    • (10S,11R,12S)-12-Hydroxy-6,6,10,11-tetramethyl-4-phenyl-11,12-dihydro-2H,6H,10H-benzo[1,2-b:3,4-b':5,6-b'']tripyran-2-one
    • (2S,3S,4S)-4-Hydroxy-2,3,10,10-tetramethyl-8-phenyl-2H-pyrano[6,5-f]2H-pyrano[6,5-h]chroman-6-one
    • 2H,6H,10H-Benzo(1,2-b:3,4-b':5,6-b'')tripyran-2-one, 11,12-dihydro-12-hydroxy-6,6,10,11-tetramethyl-4-phenyl-, (10alpha,11beta,12beta)-(-)-
    • 65025-62-9

  • Applications

    (-)-Inophyllum P (CAS 65025-62-9) may be evaluated as a fragrance ingredient or fixative in perfumery and as an aroma component in cosmetics and personal care products; it could be explored as a flavor/aroma ingredient in food and beverage contexts; in chemical manufacturing it may serve as a chiral intermediate or building block for synthetic routes related to pharmaceutical development; it could function as a specialty additive or processing intermediate in polymers and plastics formulations; and its use may be pursued in research settings as an intermediate for further transformations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.3
    methanol 16.26
    isopropanol 8.34
    water 0.03
    ethyl acetate 33.04
    n-propanol 14.87
    acetone 47.69
    n-butanol 12.36
    acetonitrile 18.16
    DMF 176.96
    toluene 18.37
    isobutanol 11.38
    1,4-dioxane 56.93
    methyl acetate 44.05
    THF 119.54
    2-butanone 54.12
    n-pentanol 10.12
    sec-butanol 9.32
    n-hexane 0.31
    ethylene glycol 9.42
    NMP 246.64
    cyclohexane 0.78
    DMSO 118.35
    n-butyl acetate 28.97
    n-octanol 5.52
    chloroform 176.48
    n-propyl acetate 26.11
    acetic acid 82.37
    dichloromethane 144.32
    cyclohexanone 90.63
    propylene glycol 14.84
    isopropyl acetate 23.38
    DMAc 228.71
    2-ethoxyethanol 35.82
    isopentanol 12.35
    n-heptane 0.36
    ethyl formate 29.63
    1,2-dichloroethane 80.88
    n-hexanol 9.94
    2-methoxyethanol 70.95
    isobutyl acetate 21.11
    tetrachloromethane 7.63
    n-pentyl acetate 24.0
    transcutol 163.93
    n-heptanol 7.51
    ethylbenzene 6.42
    MIBK 24.2
    2-propoxyethanol 58.99
    tert-butanol 8.45
    MTBE 9.62
    2-butoxyethanol 36.39
    propionic acid 39.74
    o-xylene 9.12
    formic acid 31.2
    diethyl ether 11.3
    m-xylene 10.31
    p-xylene 9.64
    chlorobenzene 35.63
    dimethyl carbonate 56.78
    n-octane 0.19
    formamide 44.45
    cyclopentanone 139.87
    2-pentanone 36.55
    anisole 22.11
    cyclopentyl methyl ether 38.2
    gamma-butyrolactone 169.4
    1-methoxy-2-propanol 53.23
    pyridine 81.56
    3-pentanone 33.76
    furfural 137.43
    n-dodecane 0.27
    diethylene glycol 49.94
    diisopropyl ether 3.25
    tert-amyl alcohol 8.88
    acetylacetone 61.83
    n-hexadecane 0.33
    acetophenone 36.63
    methyl propionate 52.85
    isopentyl acetate 29.49
    trichloroethylene 241.94
    n-nonanol 6.31
    cyclohexanol 15.68
    benzyl alcohol 29.08
    2-ethylhexanol 7.84
    isooctanol 7.19
    dipropyl ether 9.84
    1,2-dichlorobenzene 36.35
    ethyl lactate 24.91
    propylene carbonate 81.65
    n-methylformamide 65.68
    2-pentanol 6.66
    n-pentane 0.34
    1-propoxy-2-propanol 37.08
    1-methoxy-2-propyl acetate 56.68
    2-(2-methoxypropoxy) propanol 46.94
    mesitylene 5.05
    ε-caprolactone 87.83
    p-cymene 5.88
    epichlorohydrin 202.57
    1,1,1-trichloroethane 47.47
    2-aminoethanol 17.1
    morpholine-4-carbaldehyde 194.81
    sulfolane 218.65
    2,2,4-trimethylpentane 0.41
    2-methyltetrahydrofuran 50.22
    n-hexyl acetate 24.8
    isooctane 0.28
    2-(2-butoxyethoxy)ethanol 56.01
    sec-butyl acetate 18.37
    tert-butyl acetate 24.36
    decalin 0.72
    glycerin 36.25
    diglyme 103.67
    acrylic acid 56.5
    isopropyl myristate 10.58
    n-butyric acid 44.5
    acetyl acetate 33.73
    di(2-ethylhexyl) phthalate 21.05
    ethyl propionate 25.39
    nitromethane 128.45
    1,2-diethoxyethane 30.72
    benzonitrile 32.5
    trioctyl phosphate 11.83
    1-bromopropane 21.03
    gamma-valerolactone 224.27
    n-decanol 4.69
    triethyl phosphate 18.14
    4-methyl-2-pentanol 5.86
    propionitrile 19.86
    vinylene carbonate 92.54
    1,1,2-trichlorotrifluoroethane 171.78
    DMS 49.56
    cumene 4.8
    2-octanol 4.12
    2-hexanone 25.12
    octyl acetate 15.07
    limonene 7.32
    1,2-dimethoxyethane 55.39
    ethyl orthosilicate 15.72
    tributyl phosphate 15.22
    diacetone alcohol 36.6
    N,N-dimethylaniline 17.49
    acrylonitrile 37.29
    aniline 35.4
    1,3-propanediol 23.79
    bromobenzene 34.26
    dibromomethane 66.33
    1,1,2,2-tetrachloroethane 167.2
    2-methyl-cyclohexyl acetate 26.25
    tetrabutyl urea 23.17
    diisobutyl methanol 5.28
    2-phenylethanol 30.05
    styrene 9.2
    dioctyl adipate 23.09
    dimethyl sulfate 111.41
    ethyl butyrate 23.46
    methyl lactate 54.75
    butyl lactate 29.56
    diethyl carbonate 19.34
    propanediol butyl ether 33.43
    triethyl orthoformate 20.16
    p-tert-butyltoluene 5.32
    methyl 4-tert-butylbenzoate 37.61
    morpholine 79.01
    tert-butylamine 3.65
    n-dodecanol 3.49
    dimethoxymethane 88.34
    ethylene carbonate 66.03
    cyrene 61.0
    2-ethoxyethyl acetate 49.77
    2-ethylhexyl acetate 24.37
    1,2,4-trichlorobenzene 58.38
    4-methylpyridine 72.39
    dibutyl ether 6.86
    2,6-dimethyl-4-heptanol 5.28
    DEF 60.74
    dimethyl isosorbide 92.99
    tetrachloroethylene 82.86
    eugenol 38.8
    triacetin 48.6
    span 80 34.13
    1,4-butanediol 9.35
    1,1-dichloroethane 53.92
    2-methyl-1-pentanol 11.04
    methyl formate 60.42
    2-methyl-1-butanol 12.93
    n-decane 0.4
    butyronitrile 17.96
    3,7-dimethyl-1-octanol 7.1
    1-chlorooctane 3.0
    1-chlorotetradecane 1.52
    n-nonane 0.3
    undecane 0.32
    tert-butylcyclohexane 0.59
    cyclooctane 0.28
    cyclopentanol 23.65
    tetrahydropyran 35.83
    tert-amyl methyl ether 9.74
    2,5,8-trioxanonane 76.32
    1-hexene 2.2
    2-isopropoxyethanol 24.37
    2,2,2-trifluoroethanol 32.86
    methyl butyrate 33.76

    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