Isonaphthazarine

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    605-37-8

    Molecular formula
    C10H6O4

    SMILES
    C1=CC=C2C(=C1)C(=O)C(=C(C2=O)O)O

  • Odor profile

    Caramellic 50.92%
    Burnt 46.56%
    Odorless 43.33%
    Sweet 38.61%
    Phenolic 30.02%
    Sharp 22.0%
    Spicy 21.34%
    Bitter 21.19%
    Savory 18.67%
    Roasted 18.1%

    Scent© AI

  • Properties

    XLogP3-AA
    0.7

    Molecular weight
    190.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    404°C

    Flash point est.
    177.06 ˚C

  • Synonyms

    • 605-37-8
    • 2,3-Dihydroxy-1,4-naphthoquinone
    • Isonaphthazarine
    • 2,3-dihydroxynaphthalene-1,4-dione
    • Isonaphthazarin
    • 2,3-Dihydroxy naphthoquinone
    • 1,4-Naphthalenedione, 2,3-dihydroxy-
    • UNII-P55V4GVI5W
    • P55V4GVI5W
    • 1,4-Naphthoquinone, 2,3-dihydroxy-
    • 2,3-Dihydroxynaphthoquinone
    • NSC-401107
    • DTXSID80876184
    • 2,3-dihydroxy-1,4-naphthalenedione
    • NSC 401107
    • 1,4-NAPHTHOQUINONE, 2,3-HYDROXY-
    • NSC401107
    • 2,4-naphthosemiquinone
    • SCHEMBL461648
    • 2,3-Dihydroxynaphthoquinone #
    • SCHEMBL6988547
    • CHEMBL1328567
    • DTXCID801014292
    • HMS2271D09
    • MFCD00019554
    • STL069886
    • AKOS004115506
    • CS-0326884
    • Q27286187

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.74
    methanol 6.31
    isopropanol 4.46
    water 0.8
    ethyl acetate 3.23
    n-propanol 3.86
    acetone 9.18
    n-butanol 3.52
    acetonitrile 4.37
    DMF 64.05
    toluene 2.36
    isobutanol 2.65
    1,4-dioxane 9.7
    methyl acetate 5.27
    THF 15.67
    2-butanone 6.58
    n-pentanol 3.86
    sec-butanol 3.1
    n-hexane 0.33
    ethylene glycol 10.13
    NMP 52.09
    cyclohexane 0.43
    DMSO 66.89
    n-butyl acetate 4.07
    n-octanol 8.12
    chloroform 3.52
    n-propyl acetate 2.22
    acetic acid 3.23
    dichloromethane 6.4
    cyclohexanone 9.65
    propylene glycol 3.93
    isopropyl acetate 2.57
    DMAc 60.2
    2-ethoxyethanol 12.12
    isopentanol 3.24
    n-heptane 1.06
    ethyl formate 4.64
    1,2-dichloroethane 7.69
    n-hexanol 5.74
    2-methoxyethanol 21.94
    isobutyl acetate 1.08
    tetrachloromethane 1.42
    n-pentyl acetate 6.44
    transcutol 15.76
    n-heptanol 8.81
    ethylbenzene 2.39
    MIBK 3.54
    2-propoxyethanol 14.42
    tert-butanol 5.91
    MTBE 3.5
    2-butoxyethanol 13.88
    propionic acid 3.21
    o-xylene 3.76
    formic acid 6.61
    diethyl ether 2.99
    m-xylene 2.92
    p-xylene 2.54
    chlorobenzene 2.87
    dimethyl carbonate 6.58
    n-octane 1.04
    formamide 19.34
    cyclopentanone 14.98
    2-pentanone 5.12
    anisole 3.98
    cyclopentyl methyl ether 5.22
    gamma-butyrolactone 15.98
    1-methoxy-2-propanol 13.19
    pyridine 8.55
    3-pentanone 4.83
    furfural 17.34
    n-dodecane 0.98
    diethylene glycol 19.96
    diisopropyl ether 1.31
    tert-amyl alcohol 4.69
    acetylacetone 7.39
    n-hexadecane 1.11
    acetophenone 6.28
    methyl propionate 5.88
    isopentyl acetate 3.5
    trichloroethylene 9.19
    n-nonanol 7.87
    cyclohexanol 3.88
    benzyl alcohol 6.17
    2-ethylhexanol 3.78
    isooctanol 5.87
    dipropyl ether 3.54
    1,2-dichlorobenzene 4.43
    ethyl lactate 4.15
    propylene carbonate 6.4
    n-methylformamide 19.88
    2-pentanol 2.58
    n-pentane 0.39
    1-propoxy-2-propanol 9.3
    1-methoxy-2-propyl acetate 7.32
    2-(2-methoxypropoxy) propanol 10.84
    mesitylene 2.53
    ε-caprolactone 8.51
    p-cymene 3.69
    epichlorohydrin 15.85
    1,1,1-trichloroethane 2.51
    2-aminoethanol 8.43
    morpholine-4-carbaldehyde 32.69
    sulfolane 32.4
    2,2,4-trimethylpentane 0.37
    2-methyltetrahydrofuran 6.38
    n-hexyl acetate 7.29
    isooctane 0.3
    2-(2-butoxyethoxy)ethanol 13.15
    sec-butyl acetate 1.42
    tert-butyl acetate 3.28
    decalin 0.57
    glycerin 11.99
    diglyme 23.23
    acrylic acid 4.23
    isopropyl myristate 3.81
    n-butyric acid 3.11
    acetyl acetate 2.33
    di(2-ethylhexyl) phthalate 4.87
    ethyl propionate 2.6
    nitromethane 10.33
    1,2-diethoxyethane 6.76
    benzonitrile 5.93
    trioctyl phosphate 4.87
    1-bromopropane 2.5
    gamma-valerolactone 20.77
    n-decanol 6.2
    triethyl phosphate 3.6
    4-methyl-2-pentanol 2.13
    propionitrile 3.89
    vinylene carbonate 5.85
    1,1,2-trichlorotrifluoroethane 16.21
    DMS 6.43
    cumene 2.27
    2-octanol 6.35
    2-hexanone 3.72
    octyl acetate 5.54
    limonene 4.18
    1,2-dimethoxyethane 16.04
    ethyl orthosilicate 3.33
    tributyl phosphate 3.87
    diacetone alcohol 8.3
    N,N-dimethylaniline 6.44
    acrylonitrile 7.3
    aniline 4.22
    1,3-propanediol 9.05
    bromobenzene 2.45
    dibromomethane 3.65
    1,1,2,2-tetrachloroethane 8.93
    2-methyl-cyclohexyl acetate 3.57
    tetrabutyl urea 8.86
    diisobutyl methanol 3.31
    2-phenylethanol 7.64
    styrene 1.99
    dioctyl adipate 5.23
    dimethyl sulfate 15.59
    ethyl butyrate 3.15
    methyl lactate 9.66
    butyl lactate 6.66
    diethyl carbonate 2.65
    propanediol butyl ether 10.87
    triethyl orthoformate 3.33
    p-tert-butyltoluene 3.59
    methyl 4-tert-butylbenzoate 12.26
    morpholine 11.73
    tert-butylamine 3.28
    n-dodecanol 4.8
    dimethoxymethane 21.25
    ethylene carbonate 4.62
    cyrene 13.7
    2-ethoxyethyl acetate 8.14
    2-ethylhexyl acetate 2.96
    1,2,4-trichlorobenzene 5.19
    4-methylpyridine 7.48
    dibutyl ether 3.91
    2,6-dimethyl-4-heptanol 3.31
    DEF 13.8
    dimethyl isosorbide 16.89
    tetrachloroethylene 7.99
    eugenol 12.38
    triacetin 7.21
    span 80 8.78
    1,4-butanediol 6.02
    1,1-dichloroethane 2.82
    2-methyl-1-pentanol 3.41
    methyl formate 12.8
    2-methyl-1-butanol 2.83
    n-decane 1.48
    butyronitrile 3.34
    3,7-dimethyl-1-octanol 4.72
    1-chlorooctane 4.54
    1-chlorotetradecane 2.23
    n-nonane 1.31
    undecane 1.2
    tert-butylcyclohexane 0.49
    cyclooctane 0.39
    cyclopentanol 5.29
    tetrahydropyran 4.11
    tert-amyl methyl ether 3.82
    2,5,8-trioxanonane 18.7
    1-hexene 1.02
    2-isopropoxyethanol 7.28
    2,2,2-trifluoroethanol 4.51
    methyl butyrate 3.51

    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

Botanical

Name CAS Botanical Proportion
Saffron 2 8022-19-3 Crocus sativus L., fam. Iridaceae 0.01%