5-Hydroxy-2-(1-Hydroxyethyl)Naphtho(2,3-B)Furan-4,9-Dione

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  • Identifiers

    CAS number
    123297-90-5

    Molecular formula
    C14H10O5

    SMILES
    CC(C1=CC2=C(O1)C(=O)C3=C(C2=O)C(=CC=C3)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 48.66%
    Sweet 45.69%
    Vanilla 36.93%
    Creamy 31.01%
    Caramellic 30.8%
    Milky 28.28%
    Burnt 27.71%
    Phenolic 27.53%
    Powdery 26.72%
    Bitter 24.79%

     

    Flavor
    Bitter 91.58%
    Odorless 29.83%
    Bland 22.88%
    Sweet-like 21.02%
    Lovage 19.53%
    Cedarleaf 19.37%
    Nitrile 19.08%
    Bread crust 18.96%
    Parsley 18.9%
    Taco 18.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.35 (weak base)

    Molecular weight
    258.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    517°C

    Flash point

    • 249.09 ˚C est.

  • Synonyms

    • 5-hydroxy-2-(1-hydroxyethyl)naphtho[2,3-b]furan-4,9-dione
    • DTXSID80924437
    • 5-Hydroxy-2-(1-hydroxyethyl)naphtho(2,3-b)furan-4,9-dione
    • Naphtho(2,3-b)furan-4,9-dione, 5-hydroxy-2-(1-hydroxyethyl)-, (S)-
    • 5-hydroxy-2-(1-hydroxyethyl)benzo[f][1]benzofuran-4,9-dione
    • RefChem:102741
    • 5-Hydroxy-2-(1-hydroxyethyl)benzo(F)(1)benzofuran-4,9-dione
    • DTXCID201353278
    • 123297-90-5
    • (-)-Serratifoliol
    • NSC340567
    • SERRATIFOLIOL
    • SCHEMBL866692
    • CHEMBL392384
    • SCHEMBL10037431
    • 2-(1-hydroxyethyl)-5-hydroxynaphtho[2,3-b]furan-4,9-dione
    • NSC-340567
    • NS00126625
    • 123297-90-5

  • Applications

    Chemical name: 5-Hydroxy-2-(1-Hydroxyethyl)Naphtho(2,3-B)Furan-4,9-Dione; CAS number: 123297-90-5. In practical usage, this compound is typically used as a synthetic intermediate and building block for pharmaceutical and agrochemical libraries, may serve as a precursor for polycyclic aromatic compounds in industrial manufacturing, and is occasionally considered for specialty polymer or coating formulations where its rigid fused-ring furanone system can influence material properties; it may also function as a dye or pigment intermediate or as a precursor to functionalized aromatics for electronics, coatings, or cosmetics research, with applications governed by local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.19
    methanol 1.26
    isopropanol 1.31
    water 0.02
    ethyl acetate 5.36
    n-propanol 1.25
    acetone 8.07
    n-butanol 1.6
    acetonitrile 2.62
    DMF 104.72
    toluene 1.91
    isobutanol 1.22
    1,4-dioxane 21.4
    methyl acetate 9.28
    THF 54.17
    2-butanone 10.22
    n-pentanol 1.87
    sec-butanol 1.36
    n-hexane 0.03
    ethylene glycol 4.1
    NMP 108.15
    cyclohexane 0.08
    DMSO 75.83
    n-butyl acetate 10.62
    n-octanol 4.03
    chloroform 1.58
    n-propyl acetate 8.31
    acetic acid 6.75
    dichloromethane 2.28
    cyclohexanone 27.85
    propylene glycol 2.5
    isopropyl acetate 6.93
    DMAc 142.05
    2-ethoxyethanol 15.55
    isopentanol 3.35
    n-heptane 0.08
    ethyl formate 4.04
    1,2-dichloroethane 3.24
    n-hexanol 3.41
    2-methoxyethanol 34.7
    isobutyl acetate 7.34
    tetrachloromethane 0.21
    n-pentyl acetate 8.3
    transcutol 47.59
    n-heptanol 4.39
    ethylbenzene 1.83
    MIBK 9.24
    2-propoxyethanol 28.37
    tert-butanol 4.73
    MTBE 3.15
    2-butoxyethanol 17.59
    propionic acid 4.52
    o-xylene 2.34
    formic acid 7.43
    diethyl ether 1.63
    m-xylene 2.15
    p-xylene 2.94
    chlorobenzene 2.08
    dimethyl carbonate 15.82
    n-octane 0.08
    formamide 18.46
    cyclopentanone 41.55
    2-pentanone 7.9
    anisole 9.64
    cyclopentyl methyl ether 11.93
    gamma-butyrolactone 42.48
    1-methoxy-2-propanol 24.3
    pyridine 15.56
    3-pentanone 6.58
    furfural 38.5
    n-dodecane 0.21
    diethylene glycol 36.76
    diisopropyl ether 0.99
    tert-amyl alcohol 3.92
    acetylacetone 21.74
    n-hexadecane 0.27
    acetophenone 16.3
    methyl propionate 10.39
    isopentyl acetate 12.68
    trichloroethylene 8.57
    n-nonanol 4.92
    cyclohexanol 4.05
    benzyl alcohol 11.12
    2-ethylhexanol 3.91
    isooctanol 4.35
    dipropyl ether 3.67
    1,2-dichlorobenzene 3.31
    ethyl lactate 10.89
    propylene carbonate 17.79
    n-methylformamide 16.63
    2-pentanol 1.42
    n-pentane 0.02
    1-propoxy-2-propanol 18.11
    1-methoxy-2-propyl acetate 23.52
    2-(2-methoxypropoxy) propanol 25.99
    mesitylene 1.57
    ε-caprolactone 25.67
    p-cymene 2.76
    epichlorohydrin 35.5
    1,1,1-trichloroethane 1.52
    2-aminoethanol 4.06
    morpholine-4-carbaldehyde 92.77
    sulfolane 83.66
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 14.35
    n-hexyl acetate 10.55
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 27.35
    sec-butyl acetate 7.28
    tert-butyl acetate 12.98
    decalin 0.2
    glycerin 16.87
    diglyme 49.61
    acrylic acid 7.75
    isopropyl myristate 6.07
    n-butyric acid 5.2
    acetyl acetate 5.98
    di(2-ethylhexyl) phthalate 8.91
    ethyl propionate 8.36
    nitromethane 23.3
    1,2-diethoxyethane 12.72
    benzonitrile 9.4
    trioctyl phosphate 6.7
    1-bromopropane 0.82
    gamma-valerolactone 66.02
    n-decanol 3.95
    triethyl phosphate 9.55
    4-methyl-2-pentanol 2.51
    propionitrile 3.68
    vinylene carbonate 16.52
    1,1,2-trichlorotrifluoroethane 36.02
    DMS 19.04
    cumene 1.72
    2-octanol 3.07
    2-hexanone 9.71
    octyl acetate 7.71
    limonene 3.28
    1,2-dimethoxyethane 40.23
    ethyl orthosilicate 8.51
    tributyl phosphate 7.1
    diacetone alcohol 26.34
    N,N-dimethylaniline 9.46
    acrylonitrile 8.48
    aniline 6.58
    1,3-propanediol 7.15
    bromobenzene 1.68
    dibromomethane 0.85
    1,1,2,2-tetrachloroethane 7.52
    2-methyl-cyclohexyl acetate 11.85
    tetrabutyl urea 13.15
    diisobutyl methanol 3.48
    2-phenylethanol 13.15
    styrene 1.92
    dioctyl adipate 10.07
    dimethyl sulfate 40.94
    ethyl butyrate 8.73
    methyl lactate 17.44
    butyl lactate 10.85
    diethyl carbonate 7.83
    propanediol butyl ether 14.71
    triethyl orthoformate 10.15
    p-tert-butyltoluene 2.65
    methyl 4-tert-butylbenzoate 18.09
    morpholine 26.82
    tert-butylamine 1.48
    n-dodecanol 3.17
    dimethoxymethane 39.11
    ethylene carbonate 13.02
    cyrene 35.95
    2-ethoxyethyl acetate 15.52
    2-ethylhexyl acetate 9.93
    1,2,4-trichlorobenzene 6.19
    4-methylpyridine 15.4
    dibutyl ether 4.18
    2,6-dimethyl-4-heptanol 3.48
    DEF 23.16
    dimethyl isosorbide 43.72
    tetrachloroethylene 4.18
    eugenol 20.87
    triacetin 17.18
    span 80 16.26
    1,4-butanediol 3.07
    1,1-dichloroethane 1.14
    2-methyl-1-pentanol 3.42
    methyl formate 14.14
    2-methyl-1-butanol 2.38
    n-decane 0.27
    butyronitrile 2.82
    3,7-dimethyl-1-octanol 4.74
    1-chlorooctane 1.59
    1-chlorotetradecane 1.03
    n-nonane 0.17
    undecane 0.24
    tert-butylcyclohexane 0.17
    cyclooctane 0.05
    cyclopentanol 4.58
    tetrahydropyran 7.48
    tert-amyl methyl ether 4.29
    2,5,8-trioxanonane 42.74
    1-hexene 0.26
    2-isopropoxyethanol 12.27
    2,2,2-trifluoroethanol 5.54
    methyl butyrate 11.24

    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