Rugosinone

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  • Identifiers

    CAS number
    73609-04-8

    Molecular formula
    C19H15NO6

    SMILES
    COC1=C(C(=C(C=C1)C(=O)C2=NC=CC3=CC4=C(C=C32)OCO4)O)OC

  • Odor profile

    Fragrance
    Vanilla 48.13%
    Sweet 45.4%
    Floral 41.36%
    Powdery 37.5%
    Spicy 37.23%
    Balsamic 34.22%
    Phenolic 33.25%
    Odorless 31.14%
    Creamy 27.11%
    Fruity 24.1%

     

    Flavor
    Bitter 95.44%
    Bland 26.37%
    Odorless 22.23%
    Parsley 19.34%
    Sweet-like 19.32%
    Cedarleaf 18.86%
    Lovage 18.44%
    Eugenol 17.78%
    Very strong 17.49%
    Ripe apricot 17.32%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    6.6 (neutral)

    Molecular weight
    353.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    751°C

    Flash point

    • 249.49 ˚C est.

  • Synonyms

    • Rugosinone
    • 73609-04-8
    • C09634
    • [1,3]dioxolo[4,5-g]isoquinolin-5-yl-(2-hydroxy-3,4-dimethoxyphenyl)methanone
    • 1,3-Dioxolo[4,5-g]isoquinolin-5-yl(2-hydroxy-3,4-dimethoxyphenyl)methanone
    • [1,3]dioxolo[4,5-g]isoquinolin-5-yl-(2-hydroxy-3,4-dimethoxy-phenyl)methanone
    • AC1L9CNH
    • CTK9A3053
    • (1,3)dioxolo(4,5-g)isoquinolin-5-yl-(2-hydroxy-3,4-dimethoxy-phenyl)methanone
    • (1,3)dioxolo(4,5-g)isoquinolin-5-yl-(2-hydroxy-3,4-dimethoxyphenyl)methanone
    • 1,3-Dioxolo(4,5-g)isoquinolin-5-yl(2-hydroxy-3,4-dimethoxyphenyl)methanone
    • CHEBI:8912
    • DTXSID20994396
    • Q27108183
    • (2H-[1,3]Dioxolo[4,5-g]isoquinolin-5-yl)(2-hydroxy-3,4-dimethoxyphenyl)methanone

  • Applications

    Rugosinone (CAS 73609-04-8) is a natural phenolic compound with several practical applications: as a bioactive ingredient in cosmetics and personal care with antioxidant potential; studied as an intermediate and analytical standard in pharmaceutical research and for the synthesis of polyphenolic derivatives; used in coatings and inks as a pigment precursor or stabilizing additive; employed as an antioxidant stabilizer in polymer formulations; and explored in agricultural/biochemical research for potential antimicrobial activity.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.29
    methanol 0.3
    isopropanol 0.47
    water 0.0
    ethyl acetate 5.06
    n-propanol 0.52
    acetone 3.94
    n-butanol 0.59
    acetonitrile 3.08
    DMF 8.98
    toluene 0.99
    isobutanol 0.58
    1,4-dioxane 5.55
    methyl acetate 5.37
    THF 11.17
    2-butanone 5.41
    n-pentanol 0.7
    sec-butanol 0.69
    n-hexane 0.09
    ethylene glycol 0.7
    NMP 13.44
    cyclohexane 0.19
    DMSO 17.18
    n-butyl acetate 4.09
    n-octanol 0.87
    chloroform 6.29
    n-propyl acetate 4.31
    acetic acid 6.24
    dichloromethane 8.03
    cyclohexanone 8.8
    propylene glycol 0.33
    isopropyl acetate 4.2
    DMAc 21.12
    2-ethoxyethanol 4.1
    isopentanol 0.94
    n-heptane 0.2
    ethyl formate 2.38
    1,2-dichloroethane 6.22
    n-hexanol 0.95
    2-methoxyethanol 4.6
    isobutyl acetate 2.83
    tetrachloromethane 1.12
    n-pentyl acetate 4.01
    transcutol 11.5
    n-heptanol 1.14
    ethylbenzene 0.82
    MIBK 3.1
    2-propoxyethanol 6.54
    tert-butanol 1.1
    MTBE 1.53
    2-butoxyethanol 4.96
    propionic acid 2.85
    o-xylene 1.15
    formic acid 2.95
    diethyl ether 2.1
    m-xylene 0.82
    p-xylene 1.25
    chlorobenzene 1.73
    dimethyl carbonate 7.45
    n-octane 0.14
    formamide 6.43
    cyclopentanone 11.34
    2-pentanone 3.61
    anisole 2.5
    cyclopentyl methyl ether 3.6
    gamma-butyrolactone 14.68
    1-methoxy-2-propanol 3.39
    pyridine 5.98
    3-pentanone 5.07
    furfural 13.43
    n-dodecane 0.14
    diethylene glycol 7.17
    diisopropyl ether 0.96
    tert-amyl alcohol 1.31
    acetylacetone 8.77
    n-hexadecane 0.18
    acetophenone 4.8
    methyl propionate 5.59
    isopentyl acetate 4.54
    trichloroethylene 13.05
    n-nonanol 1.21
    cyclohexanol 1.53
    benzyl alcohol 2.22
    2-ethylhexanol 1.37
    isooctanol 1.33
    dipropyl ether 2.67
    1,2-dichlorobenzene 2.77
    ethyl lactate 3.33
    propylene carbonate 6.1
    n-methylformamide 3.29
    2-pentanol 0.66
    n-pentane 0.08
    1-propoxy-2-propanol 4.65
    1-methoxy-2-propyl acetate 8.72
    2-(2-methoxypropoxy) propanol 7.31
    mesitylene 0.64
    ε-caprolactone 8.59
    p-cymene 1.38
    epichlorohydrin 14.85
    1,1,1-trichloroethane 3.93
    2-aminoethanol 0.68
    morpholine-4-carbaldehyde 15.58
    sulfolane 23.8
    2,2,4-trimethylpentane 0.11
    2-methyltetrahydrofuran 4.93
    n-hexyl acetate 3.55
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 6.93
    sec-butyl acetate 3.31
    tert-butyl acetate 4.86
    decalin 0.2
    glycerin 2.33
    diglyme 16.52
    acrylic acid 4.48
    isopropyl myristate 2.37
    n-butyric acid 2.86
    acetyl acetate 6.04
    di(2-ethylhexyl) phthalate 2.72
    ethyl propionate 4.97
    nitromethane 18.05
    1,2-diethoxyethane 5.56
    benzonitrile 3.33
    trioctyl phosphate 2.08
    1-bromopropane 1.88
    gamma-valerolactone 16.48
    n-decanol 1.0
    triethyl phosphate 4.58
    4-methyl-2-pentanol 0.72
    propionitrile 2.86
    vinylene carbonate 7.27
    1,1,2-trichlorotrifluoroethane 16.67
    DMS 7.52
    cumene 0.81
    2-octanol 0.9
    2-hexanone 3.77
    octyl acetate 2.72
    limonene 1.7
    1,2-dimethoxyethane 9.63
    ethyl orthosilicate 3.93
    tributyl phosphate 2.67
    diacetone alcohol 5.94
    N,N-dimethylaniline 2.46
    acrylonitrile 5.24
    aniline 1.85
    1,3-propanediol 1.39
    bromobenzene 1.78
    dibromomethane 4.16
    1,1,2,2-tetrachloroethane 9.06
    2-methyl-cyclohexyl acetate 4.66
    tetrabutyl urea 4.27
    diisobutyl methanol 1.29
    2-phenylethanol 3.44
    styrene 0.85
    dioctyl adipate 4.09
    dimethyl sulfate 14.69
    ethyl butyrate 4.85
    methyl lactate 4.39
    butyl lactate 3.68
    diethyl carbonate 4.4
    propanediol butyl ether 2.45
    triethyl orthoformate 5.07
    p-tert-butyltoluene 1.17
    methyl 4-tert-butylbenzoate 6.36
    morpholine 5.48
    tert-butylamine 0.53
    n-dodecanol 0.85
    dimethoxymethane 7.74
    ethylene carbonate 5.84
    cyrene 8.64
    2-ethoxyethyl acetate 7.83
    2-ethylhexyl acetate 3.82
    1,2,4-trichlorobenzene 4.02
    4-methylpyridine 3.71
    dibutyl ether 1.98
    2,6-dimethyl-4-heptanol 1.29
    DEF 6.83
    dimethyl isosorbide 14.44
    tetrachloroethylene 6.87
    eugenol 6.71
    triacetin 7.89
    span 80 4.25
    1,4-butanediol 0.74
    1,1-dichloroethane 2.78
    2-methyl-1-pentanol 1.11
    methyl formate 3.6
    2-methyl-1-butanol 0.85
    n-decane 0.24
    butyronitrile 1.71
    3,7-dimethyl-1-octanol 1.26
    1-chlorooctane 0.89
    1-chlorotetradecane 0.51
    n-nonane 0.18
    undecane 0.18
    tert-butylcyclohexane 0.14
    cyclooctane 0.11
    cyclopentanol 1.65
    tetrahydropyran 3.25
    tert-amyl methyl ether 1.96
    2,5,8-trioxanonane 12.95
    1-hexene 0.35
    2-isopropoxyethanol 3.77
    2,2,2-trifluoroethanol 6.14
    methyl butyrate 4.99

    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