Nordalbergin

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  • Identifiers

    CAS number
    482-82-6

    Molecular formula
    C15H10O4

    SMILES
    C1=CC=C(C=C1)C2=CC(=O)OC3=CC(=C(C=C23)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 52.46%
    Odorless 48.91%
    Burnt 37.21%
    Balsamic 26.39%
    Spicy 24.02%
    Medicinal 23.48%
    Smoky 22.76%
    Vanilla 22.61%
    Fruity 21.72%
    Bitter 21.42%

     

    Flavor
    Bitter 92.83%
    Very strong 20.32%
    Nitrile 19.88%
    Indole 19.78%
    Curry 19.77%
    Moth ball 19.56%
    Naphthelene 19.47%
    Cedarleaf 19.31%
    Lovage 19.3%
    Almond shell 19.29%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    8.12 (weak base)

    Molecular weight
    254.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    551°C

    Flash point

    • 214.35 ˚C est.

  • Synonyms

    • Nordalbergin
    • 482-82-6
    • 6,7-Dihydroxy-4-phenylcoumarin
    • 6,7-dihydroxy-4-phenylchromen-2-one
    • DTXSID40415775
    • 2H-1-Benzopyran-2-one, 6,7-dihydroxy-4-phenyl-
    • RefChem:166586
    • DTXCID10366624
    • TZRNJQYCOSMOJS-UHFFFAOYSA-N
    • 6,7-Dihydroxy-4-phenyl-2H-chromen-2-one
    • MFCD00075837
    • CHEMBL1255818
    • 6,7-dihydroxy-4-phenyl-chromen-2-one
    • 6,7-Dihydroxy-4-phenyl-2H-1-benzopyran-2-one
    • Oprea1_012343
    • CBDivE_012029
    • orb1297683
    • SCHEMBL1706321
    • CHEBI:183558
    • GLXC-19146
    • BB_NC-01841
    • HY-N4287
    • BBL028154
    • BDBM50327653
    • LMPK12100008
    • STL372186
    • AKOS015955887
    • CCG-339856
    • EBC-543091
    • FN66043
    • SY359143
    • VS-08682
    • DB-263747
    • CS-0032642
    • ST50309010
    • SR-01000195708
    • SR-01000195708-1
    • 482-82-6

  • Applications

    Nordalbergin (CAS 482-82-6) is primarily regarded as an intermediate in organic synthesis and is also evaluated for fragrance-related applications; it may serve as a building block in pharmaceutical and specialty-chemical routes, and is occasionally considered for cosmetics and personal care formulations as an aroma component; it may be used in household products as a scent additive; in polymer and plastics chemistry it can act as a precursor or functional additive; in coatings and inks it is explored as a formulation component; and it is studied for cleaning products where odor performance is relevant. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6.38
    methanol 9.07
    isopropanol 3.73
    water 0.01
    ethyl acetate 2.58
    n-propanol 4.56
    acetone 9.74
    n-butanol 3.75
    acetonitrile 1.54
    DMF 65.13
    toluene 0.38
    isobutanol 2.56
    1,4-dioxane 11.11
    methyl acetate 6.2
    THF 57.77
    2-butanone 13.31
    n-pentanol 1.75
    sec-butanol 4.41
    n-hexane 0.0
    ethylene glycol 7.06
    NMP 32.79
    cyclohexane 0.0
    DMSO 109.38
    n-butyl acetate 4.45
    n-octanol 1.46
    chloroform 0.0
    n-propyl acetate 3.61
    acetic acid 6.86
    dichloromethane 0.01
    cyclohexanone 8.76
    propylene glycol 5.61
    isopropyl acetate 3.58
    DMAc 106.66
    2-ethoxyethanol 23.46
    isopentanol 5.09
    n-heptane 0.01
    ethyl formate 2.2
    1,2-dichloroethane 0.08
    n-hexanol 2.04
    2-methoxyethanol 72.5
    isobutyl acetate 1.9
    tetrachloromethane 0.0
    n-pentyl acetate 4.11
    transcutol 96.86
    n-heptanol 2.22
    ethylbenzene 0.3
    MIBK 4.83
    2-propoxyethanol 24.6
    tert-butanol 7.78
    MTBE 3.44
    2-butoxyethanol 14.79
    propionic acid 4.59
    o-xylene 0.57
    formic acid 7.5
    diethyl ether 0.69
    m-xylene 0.35
    p-xylene 0.33
    chlorobenzene 0.16
    dimethyl carbonate 5.78
    n-octane 0.0
    formamide 30.18
    cyclopentanone 21.9
    2-pentanone 4.74
    anisole 5.38
    cyclopentyl methyl ether 3.96
    gamma-butyrolactone 23.87
    1-methoxy-2-propanol 39.24
    pyridine 8.24
    3-pentanone 2.17
    furfural 20.45
    n-dodecane 0.02
    diethylene glycol 28.95
    diisopropyl ether 0.31
    tert-amyl alcohol 8.6
    acetylacetone 12.74
    n-hexadecane 0.02
    acetophenone 7.52
    methyl propionate 4.48
    isopentyl acetate 6.38
    trichloroethylene 0.13
    n-nonanol 1.84
    cyclohexanol 2.12
    benzyl alcohol 6.41
    2-ethylhexanol 1.99
    isooctanol 2.37
    dipropyl ether 1.47
    1,2-dichlorobenzene 0.37
    ethyl lactate 5.56
    propylene carbonate 5.92
    n-methylformamide 15.91
    2-pentanol 1.8
    n-pentane 0.0
    1-propoxy-2-propanol 15.44
    1-methoxy-2-propyl acetate 16.03
    2-(2-methoxypropoxy) propanol 21.12
    mesitylene 0.24
    ε-caprolactone 10.37
    p-cymene 0.89
    epichlorohydrin 27.75
    1,1,1-trichloroethane 0.03
    2-aminoethanol 11.44
    morpholine-4-carbaldehyde 42.45
    sulfolane 46.53
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 14.02
    n-hexyl acetate 5.17
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 28.89
    sec-butyl acetate 3.19
    tert-butyl acetate 8.49
    decalin 0.01
    glycerin 22.17
    diglyme 58.05
    acrylic acid 5.8
    isopropyl myristate 2.67
    n-butyric acid 4.57
    acetyl acetate 2.42
    di(2-ethylhexyl) phthalate 3.97
    ethyl propionate 3.35
    nitromethane 18.31
    1,2-diethoxyethane 11.99
    benzonitrile 3.0
    trioctyl phosphate 2.48
    1-bromopropane 0.02
    gamma-valerolactone 41.79
    n-decanol 1.47
    triethyl phosphate 4.04
    4-methyl-2-pentanol 1.94
    propionitrile 1.93
    vinylene carbonate 4.34
    1,1,2-trichlorotrifluoroethane 16.4
    DMS 7.82
    cumene 0.38
    2-octanol 1.18
    2-hexanone 4.06
    octyl acetate 3.3
    limonene 0.88
    1,2-dimethoxyethane 36.59
    ethyl orthosilicate 3.83
    tributyl phosphate 2.9
    diacetone alcohol 25.65
    N,N-dimethylaniline 3.72
    acrylonitrile 4.57
    aniline 3.55
    1,3-propanediol 21.06
    bromobenzene 0.08
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.12
    2-methyl-cyclohexyl acetate 4.98
    tetrabutyl urea 5.22
    diisobutyl methanol 1.99
    2-phenylethanol 6.84
    styrene 0.29
    dioctyl adipate 5.35
    dimethyl sulfate 16.35
    ethyl butyrate 4.03
    methyl lactate 11.23
    butyl lactate 6.25
    diethyl carbonate 3.37
    propanediol butyl ether 12.14
    triethyl orthoformate 4.94
    p-tert-butyltoluene 0.91
    methyl 4-tert-butylbenzoate 10.64
    morpholine 26.3
    tert-butylamine 1.33
    n-dodecanol 1.09
    dimethoxymethane 27.31
    ethylene carbonate 3.04
    cyrene 17.59
    2-ethoxyethyl acetate 11.69
    2-ethylhexyl acetate 4.01
    1,2,4-trichlorobenzene 0.96
    4-methylpyridine 6.57
    dibutyl ether 1.85
    2,6-dimethyl-4-heptanol 1.99
    DEF 11.57
    dimethyl isosorbide 32.63
    tetrachloroethylene 0.1
    eugenol 12.17
    triacetin 9.97
    span 80 10.24
    1,4-butanediol 3.86
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 3.54
    methyl formate 8.73
    2-methyl-1-butanol 4.81
    n-decane 0.02
    butyronitrile 1.47
    3,7-dimethyl-1-octanol 2.3
    1-chlorooctane 0.24
    1-chlorotetradecane 0.16
    n-nonane 0.01
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.0
    cyclopentanol 3.19
    tetrahydropyran 2.92
    tert-amyl methyl ether 4.15
    2,5,8-trioxanonane 39.63
    1-hexene 0.01
    2-isopropoxyethanol 14.35
    2,2,2-trifluoroethanol 2.42
    methyl butyrate 4.47

    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