Demethoxyviridiol

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  • Identifiers

    CAS number
    56617-66-4

    Molecular formula
    C19H16O5

    SMILES
    C[C@]12[C@@H](C[C@@H](C3=COC(=C31)C(=O)C4=C2C=CC5=C4CCC5=O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 45.72%
    Sweet 44.22%
    Vanilla 26.59%
    Powdery 25.62%
    Phenolic 25.01%
    Burnt 22.33%
    Spicy 22.13%
    Creamy 21.13%
    Woody 21.08%
    Balsamic 20.69%

     

    Flavor
    Bitter 97.33%
    Bland 20.52%
    Sweet-like 19.03%
    Cedarleaf 18.92%
    Odorless 18.44%
    Lovage 17.96%
    Nitrile 17.14%
    Parsley 17.11%
    Indole 17.04%
    Very strong 17.03%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    6.18 (neutral)

    Molecular weight
    324.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1518°C

    Flash point

    • 270.93 ˚C est.

  • Synonyms

    • Demethoxyviridiol
    • 56617-66-4
    • UNII-WK38ZDT69B
    • WK38ZDT69B
    • (1R,16S,18R)-16,18-dihydroxy-1-methyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),3,5(9),12(19),14-pentaene-6,11-dione
    • Cyclopenta(7,8)phenanthro(10,1-bc)furan-6,9-dione, 1,2,3,7,8,11b-hexahydro-1,3-dihydroxy-11b-methyl-, (1R-(1-alpha,3-alpha,11b-alpha))-
    • (1R,16S,18R)-16,18-dihydroxy-1-methyl-13-oxapentacyclo(10.6.1.02,10.05,9.015,19)nonadeca-2(10),3,5(9),12(19),14-pentaene-6,11-dione
    • RefChem:131729
    • NSC658705
    • 1beta,3beta-Dihydroxy-18-norandrost-5-eno[6,5,4-bc]furan-8,11,13-triene-7,17-dione
    • (1R,3S,11bR)-1,2,3,7,8,11b-hexahydro-1,3-dihydroxy-11b-methyl-cyclopenta[7,8]phenanthro[10,1-bc]furan-6,9-dione
    • orb1737696
    • SCHEMBL12464245
    • DTXSID20972058
    • CHEBI:219522
    • 1,3-Dihydroxy-11b-methyl-1,2,3,7,8,11b-hexahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-6,9-dione
    • MFCD01939543
    • NSC-658705
    • HY-135526
    • CS-0113388
    • Q27292687
    • (1R,3S,11bR)-1,3-dihydroxy-11b-methyl-1,2,3,7,8,11b-hexahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-6,9-dione
    • 56617-66-4

  • Applications

    Demethoxyviridiol (CAS 56617-66-4) is typically encountered as a synthetic intermediate in fragrance and flavor chemistry and as a building block for specialty chemicals. In industrial manufacturing it may be used as a precursor for functionalization to generate aroma compounds or cosmetic ingredients, as well as a starting material for derivatives in polymers/plastics and coatings formulations. It is also sometimes evaluated for use in cosmetics/personal care as an aroma component and may be considered for flavor applications in the food sector, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.15
    methanol 0.34
    isopropanol 0.15
    water 0.0
    ethyl acetate 0.69
    n-propanol 0.13
    acetone 1.58
    n-butanol 0.17
    acetonitrile 0.46
    DMF 11.4
    toluene 0.53
    isobutanol 0.13
    1,4-dioxane 3.36
    methyl acetate 0.68
    THF 5.42
    2-butanone 1.04
    n-pentanol 0.18
    sec-butanol 0.07
    n-hexane 0.01
    ethylene glycol 0.49
    NMP 8.76
    cyclohexane 0.02
    DMSO 8.7
    n-butyl acetate 1.53
    n-octanol 0.63
    chloroform 1.04
    n-propyl acetate 0.99
    acetic acid 1.27
    dichloromethane 1.0
    cyclohexanone 5.62
    propylene glycol 0.16
    isopropyl acetate 1.08
    DMAc 12.63
    2-ethoxyethanol 1.65
    isopentanol 0.36
    n-heptane 0.01
    ethyl formate 0.69
    1,2-dichloroethane 0.91
    n-hexanol 0.38
    2-methoxyethanol 3.62
    isobutyl acetate 1.14
    tetrachloromethane 0.16
    n-pentyl acetate 2.9
    transcutol 6.7
    n-heptanol 0.9
    ethylbenzene 0.35
    MIBK 1.69
    2-propoxyethanol 5.05
    tert-butanol 0.35
    MTBE 0.16
    2-butoxyethanol 4.95
    propionic acid 0.44
    o-xylene 0.47
    formic acid 1.63
    diethyl ether 0.17
    m-xylene 0.54
    p-xylene 0.62
    chlorobenzene 0.86
    dimethyl carbonate 2.68
    n-octane 0.02
    formamide 2.72
    cyclopentanone 6.14
    2-pentanone 1.19
    anisole 1.29
    cyclopentyl methyl ether 1.01
    gamma-butyrolactone 5.03
    1-methoxy-2-propanol 2.57
    pyridine 3.46
    3-pentanone 0.86
    furfural 8.05
    n-dodecane 0.03
    diethylene glycol 6.9
    diisopropyl ether 0.12
    tert-amyl alcohol 0.15
    acetylacetone 4.53
    n-hexadecane 0.04
    acetophenone 3.09
    methyl propionate 0.98
    isopentyl acetate 2.3
    trichloroethylene 2.97
    n-nonanol 0.92
    cyclohexanol 0.32
    benzyl alcohol 1.72
    2-ethylhexanol 0.45
    isooctanol 1.02
    dipropyl ether 0.43
    1,2-dichlorobenzene 1.32
    ethyl lactate 1.5
    propylene carbonate 2.82
    n-methylformamide 2.34
    2-pentanol 0.1
    n-pentane 0.0
    1-propoxy-2-propanol 3.05
    1-methoxy-2-propyl acetate 4.8
    2-(2-methoxypropoxy) propanol 5.49
    mesitylene 0.4
    ε-caprolactone 3.39
    p-cymene 0.59
    epichlorohydrin 4.61
    1,1,1-trichloroethane 0.6
    2-aminoethanol 0.36
    morpholine-4-carbaldehyde 14.27
    sulfolane 11.76
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.83
    n-hexyl acetate 2.82
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 5.71
    sec-butyl acetate 0.78
    tert-butyl acetate 1.9
    decalin 0.03
    glycerin 1.75
    diglyme 11.42
    acrylic acid 1.08
    isopropyl myristate 1.48
    n-butyric acid 0.96
    acetyl acetate 1.47
    di(2-ethylhexyl) phthalate 3.03
    ethyl propionate 0.94
    nitromethane 4.19
    1,2-diethoxyethane 2.01
    benzonitrile 2.55
    trioctyl phosphate 2.0
    1-bromopropane 0.16
    gamma-valerolactone 14.65
    n-decanol 0.65
    triethyl phosphate 1.71
    4-methyl-2-pentanol 0.26
    propionitrile 0.66
    vinylene carbonate 3.96
    1,1,2-trichlorotrifluoroethane 7.0
    DMS 4.22
    cumene 0.32
    2-octanol 0.5
    2-hexanone 1.32
    octyl acetate 1.86
    limonene 0.52
    1,2-dimethoxyethane 5.43
    ethyl orthosilicate 1.56
    tributyl phosphate 1.83
    diacetone alcohol 3.65
    N,N-dimethylaniline 1.34
    acrylonitrile 1.9
    aniline 1.06
    1,3-propanediol 1.0
    bromobenzene 0.77
    dibromomethane 0.41
    1,1,2,2-tetrachloroethane 2.04
    2-methyl-cyclohexyl acetate 2.48
    tetrabutyl urea 3.74
    diisobutyl methanol 0.54
    2-phenylethanol 3.09
    styrene 0.39
    dioctyl adipate 2.77
    dimethyl sulfate 6.21
    ethyl butyrate 1.25
    methyl lactate 2.27
    butyl lactate 3.2
    diethyl carbonate 1.21
    propanediol butyl ether 2.83
    triethyl orthoformate 1.75
    p-tert-butyltoluene 0.56
    methyl 4-tert-butylbenzoate 5.81
    morpholine 2.5
    tert-butylamine 0.11
    n-dodecanol 0.47
    dimethoxymethane 5.73
    ethylene carbonate 2.98
    cyrene 7.31
    2-ethoxyethyl acetate 5.05
    2-ethylhexyl acetate 1.76
    1,2,4-trichlorobenzene 2.05
    4-methylpyridine 2.6
    dibutyl ether 0.62
    2,6-dimethyl-4-heptanol 0.54
    DEF 2.17
    dimethyl isosorbide 10.21
    tetrachloroethylene 1.93
    eugenol 7.06
    triacetin 4.8
    span 80 3.98
    1,4-butanediol 0.38
    1,1-dichloroethane 0.35
    2-methyl-1-pentanol 0.29
    methyl formate 2.25
    2-methyl-1-butanol 0.17
    n-decane 0.04
    butyronitrile 0.52
    3,7-dimethyl-1-octanol 0.7
    1-chlorooctane 0.27
    1-chlorotetradecane 0.15
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.02
    cyclooctane 0.01
    cyclopentanol 0.35
    tetrahydropyran 0.83
    tert-amyl methyl ether 0.17
    2,5,8-trioxanonane 9.66
    1-hexene 0.04
    2-isopropoxyethanol 1.37
    2,2,2-trifluoroethanol 1.14
    methyl butyrate 1.31

    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