Furoparadine

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  • Identifiers

    CAS number
    161161-72-4

    Molecular formula
    C17H13NO5

    SMILES
    CN1C2=C(C=CC(=C2OC)O)C(=O)C3=C1C4=C(C=C3O)OC=C4

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 50.18%
    Odorless 40.54%
    Burnt 37.38%
    Fruity 28.82%
    Smoky 28.2%
    Vanilla 26.1%
    Spicy 25.42%
    Dry 22.86%
    Medicinal 21.78%
    Sweet 21.6%

     

    Flavor
    Bitter 95.87%
    Odorless 25.33%
    Bland 21.57%
    Sweet-like 20.34%
    Cedarleaf 19.82%
    Very strong 19.48%
    Parsley 19.26%
    Indole 19.13%
    Lovage 18.95%
    Eugenol 18.72%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.9 (neutral)

    Molecular weight
    311.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    936°C

    Flash point

    • 268.3 ˚C est.

  • Synonyms

    • Furoparadine
    • DTXSID601175268
    • 5,9-Dihydroxy-10-methoxy-11-methylfuro[2,3-c]acridin-6(11H)-one
    • 161161-72-4
    • 161161-72-4

  • Applications

    Furoparadine (CAS 161161-72-4) is an organic compound that can function as an intermediate in the synthesis of specialty chemicals for industrial applications; it may be employed as a solvent or co-solvent in laboratory and process environments; it can serve as a precursor or functional additive in polymer and coatings formulations; it is sometimes evaluated for use in coating and ink systems as a processing aid or reactive component; and it may be considered as a building block in the development of other fine chemicals in research and manufacturing settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.44
    methanol 0.62
    isopropanol 0.4
    water 0.0
    ethyl acetate 1.19
    n-propanol 0.51
    acetone 1.65
    n-butanol 0.58
    acetonitrile 0.93
    DMF 9.59
    toluene 0.25
    isobutanol 0.52
    1,4-dioxane 2.21
    methyl acetate 1.49
    THF 6.78
    2-butanone 2.14
    n-pentanol 0.67
    sec-butanol 0.46
    n-hexane 0.03
    ethylene glycol 0.8
    NMP 11.34
    cyclohexane 0.03
    DMSO 16.68
    n-butyl acetate 2.37
    n-octanol 1.17
    chloroform 1.45
    n-propyl acetate 1.74
    acetic acid 1.72
    dichloromethane 2.14
    cyclohexanone 4.85
    propylene glycol 0.39
    isopropyl acetate 1.14
    DMAc 15.2
    2-ethoxyethanol 3.19
    isopentanol 0.86
    n-heptane 0.05
    ethyl formate 1.3
    1,2-dichloroethane 2.15
    n-hexanol 1.17
    2-methoxyethanol 5.27
    isobutyl acetate 1.41
    tetrachloromethane 0.29
    n-pentyl acetate 2.77
    transcutol 5.57
    n-heptanol 1.54
    ethylbenzene 0.32
    MIBK 1.83
    2-propoxyethanol 6.33
    tert-butanol 0.76
    MTBE 0.49
    2-butoxyethanol 4.97
    propionic acid 1.07
    o-xylene 0.35
    formic acid 2.2
    diethyl ether 0.46
    m-xylene 0.32
    p-xylene 0.51
    chlorobenzene 0.61
    dimethyl carbonate 2.46
    n-octane 0.05
    formamide 3.83
    cyclopentanone 7.23
    2-pentanone 1.91
    anisole 0.93
    cyclopentyl methyl ether 1.74
    gamma-butyrolactone 7.56
    1-methoxy-2-propanol 3.45
    pyridine 2.55
    3-pentanone 1.52
    furfural 7.8
    n-dodecane 0.07
    diethylene glycol 8.0
    diisopropyl ether 0.21
    tert-amyl alcohol 0.82
    acetylacetone 3.08
    n-hexadecane 0.09
    acetophenone 2.37
    methyl propionate 1.9
    isopentyl acetate 2.85
    trichloroethylene 4.01
    n-nonanol 1.35
    cyclohexanol 0.8
    benzyl alcohol 1.55
    2-ethylhexanol 1.19
    isooctanol 1.53
    dipropyl ether 0.91
    1,2-dichlorobenzene 1.12
    ethyl lactate 2.15
    propylene carbonate 3.35
    n-methylformamide 3.29
    2-pentanol 0.4
    n-pentane 0.02
    1-propoxy-2-propanol 4.12
    1-methoxy-2-propyl acetate 4.11
    2-(2-methoxypropoxy) propanol 5.01
    mesitylene 0.26
    ε-caprolactone 4.07
    p-cymene 0.67
    epichlorohydrin 8.81
    1,1,1-trichloroethane 0.99
    2-aminoethanol 0.86
    morpholine-4-carbaldehyde 11.24
    sulfolane 16.38
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 2.2
    n-hexyl acetate 2.69
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 5.29
    sec-butyl acetate 1.13
    tert-butyl acetate 1.69
    decalin 0.06
    glycerin 2.45
    diglyme 9.9
    acrylic acid 1.71
    isopropyl myristate 1.43
    n-butyric acid 1.48
    acetyl acetate 1.06
    di(2-ethylhexyl) phthalate 2.48
    ethyl propionate 1.61
    nitromethane 5.46
    1,2-diethoxyethane 2.25
    benzonitrile 2.02
    trioctyl phosphate 2.08
    1-bromopropane 0.68
    gamma-valerolactone 10.72
    n-decanol 1.04
    triethyl phosphate 2.23
    4-methyl-2-pentanol 0.51
    propionitrile 1.24
    vinylene carbonate 3.36
    1,1,2-trichlorotrifluoroethane 10.34
    DMS 3.29
    cumene 0.36
    2-octanol 1.03
    2-hexanone 2.38
    octyl acetate 1.98
    limonene 0.77
    1,2-dimethoxyethane 6.36
    ethyl orthosilicate 1.93
    tributyl phosphate 2.2
    diacetone alcohol 4.03
    N,N-dimethylaniline 1.08
    acrylonitrile 2.55
    aniline 0.81
    1,3-propanediol 1.64
    bromobenzene 0.51
    dibromomethane 1.12
    1,1,2,2-tetrachloroethane 3.33
    2-methyl-cyclohexyl acetate 2.66
    tetrabutyl urea 3.71
    diisobutyl methanol 0.8
    2-phenylethanol 2.66
    styrene 0.28
    dioctyl adipate 2.35
    dimethyl sulfate 7.29
    ethyl butyrate 1.8
    methyl lactate 3.11
    butyl lactate 3.06
    diethyl carbonate 1.5
    propanediol butyl ether 2.93
    triethyl orthoformate 1.87
    p-tert-butyltoluene 0.57
    methyl 4-tert-butylbenzoate 4.35
    morpholine 3.1
    tert-butylamine 0.31
    n-dodecanol 0.8
    dimethoxymethane 5.29
    ethylene carbonate 2.64
    cyrene 6.58
    2-ethoxyethyl acetate 3.97
    2-ethylhexyl acetate 2.39
    1,2,4-trichlorobenzene 1.62
    4-methylpyridine 1.98
    dibutyl ether 1.0
    2,6-dimethyl-4-heptanol 0.8
    DEF 3.83
    dimethyl isosorbide 9.55
    tetrachloroethylene 2.56
    eugenol 5.39
    triacetin 3.39
    span 80 3.35
    1,4-butanediol 0.82
    1,1-dichloroethane 0.83
    2-methyl-1-pentanol 0.95
    methyl formate 2.87
    2-methyl-1-butanol 0.7
    n-decane 0.11
    butyronitrile 1.13
    3,7-dimethyl-1-octanol 1.12
    1-chlorooctane 0.59
    1-chlorotetradecane 0.3
    n-nonane 0.08
    undecane 0.09
    tert-butylcyclohexane 0.05
    cyclooctane 0.02
    cyclopentanol 1.03
    tetrahydropyran 1.15
    tert-amyl methyl ether 0.68
    2,5,8-trioxanonane 8.22
    1-hexene 0.15
    2-isopropoxyethanol 2.36
    2,2,2-trifluoroethanol 2.22
    methyl butyrate 2.28

    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