Juglone

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  • Identifiers

    CAS number
    481-39-0

    Molecular formula
    C10H6O3

    SMILES
    C1=CC2=C(C(=O)C=CC2=O)C(=C1)O

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 49.74%
    Burnt 44.13%
    Phenolic 40.96%
    Caramellic 40.58%
    Odorless 34.97%
    Nutty 34.26%
    Spicy 33.51%
    Bitter 30.82%
    Coumarinic 28.37%
    Vanilla 25.99%

     

    Flavor
    Bitter 82.05%
    Odorless 21.45%
    Lovage 20.07%
    Nitrile 20.06%
    Fenugreek 19.19%
    Very strong 18.75%
    Basil 18.64%
    Seedy 18.46%
    Urine 18.32%
    Cedarleaf 18.28%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.93 (weak base)

    Molecular weight
    174.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    349°C

    Melting point expt.

    • 155 °C

    Flash point

    • 160.8 ˚C est.

  • Synonyms

    • juglone
    • 481-39-0
    • 5-Hydroxy-1,4-naphthalenedione
    • 5-Hydroxy-1,4-naphthoquinone
    • 5-Hydroxynaphthalene-1,4-dione
    • Regianin
    • Nucin
    • 8-Hydroxy-1,4-naphthoquinone
    • C.I. Natural Brown 7
    • C.I. 75500
    • W6Q80SK9L6
    • DTXSID0031504
    • NSC-153189
    • NSC-622948
    • CHEBI:15794
    • RefChem:792551
    • DTXCID8011504
    • 207-567-5
    • Juglon
    • Akhnot
    • Yuglon
    • 5-Hydroxynaphthoquinone
    • 1,4-NAPHTHALENEDIONE, 5-HYDROXY-
    • 5-Hydroxy-p-naphthoquinone
    • MFCD00001684
    • 1,4-Naphthoquinone, 5-hydroxy-
    • Juglane
    • Jugnlon
    • Iuglon
    • 1,4-Naphthoquinone, 8-hydroxy-
    • 5-Hydroxy-1,4-naphthosemiquinone
    • 5-Hydroxy-1,4-naftochinon
    • 5-hydroxy-1,4-naphtoquinone
    • NSC 153189
    • NSC 622948
    • 5-hydroxy-1,4-dihydronaphthalene-1,4-dione
    • CHEMBL43612
    • 8-Hydroxy-1,4-naphthalenedione
    • NCI 2323
    • NSC34266
    • NSC153189
    • NSC622948
    • 1, 8-hydroxy-
    • WLN: L66 BV EVJ GQ
    • Caswell No. 515AA
    • CCRIS 5423
    • EINECS 207-567-5
    • 5-Hydroxy-1,4-naftochinon [Czech]
    • JUGLONE CRYSTALLIZED
    • BRN 1909764
    • UNII-W6Q80SK9L6
    • Antibiotic PD7
    • Juglone (Standard)
    • 481-13-0
    • Spectrum_000415
    • 3b7j
    • JUGLONE [MI]
    • Spectrum2_000778
    • Spectrum3_001228
    • Spectrum4_001769
    • Spectrum5_000357
    • 5-HNQ
    • SCHEMBL34185
    • BSPBio_001157
    • BSPBio_002676
    • KBioGR_000497
    • KBioGR_002257
    • KBioGR_002470
    • KBioSS_000497
    • KBioSS_000895
    • KBioSS_002477
    • SPECTRUM300038
    • 4-08-00-02368 (Beilstein Handbook Reference)
    • DivK1c_001026
    • SPBio_000856
    • -Hydroxy-1,4-naphthalenedione
    • orb1303312
    • 5-Hydroxy-[1,4]Naphthoquinone
    • SCHEMBL29500185
    • BDBM24777
    • GTPL13647
    • HMS503M13
    • HY-N6949R
    • KBio1_001026
    • KBio2_000497
    • KBio2_000895
    • KBio2_002470
    • KBio2_003065
    • KBio2_003463
    • KBio2_005038
    • KBio2_005633
    • KBio2_006031
    • KBio2_007606
    • KBio3_000913
    • KBio3_000914
    • KBio3_002176
    • KBio3_002948
    • 5-hydroxy-naphthalene-1,4-dione
    • cMAP_000058
    • NINDS_001026
    • Bio1_000441
    • Bio1_000930
    • Bio1_001419
    • Bio2_000409
    • Bio2_000889
    • HMS1362I19
    • HMS1792I19
    • HMS1923G07
    • HMS1990I19
    • HMS3403I19
    • Juglone - CAS 481-39-0
    • 5-hydroxy-1,4-naphthoquinone, 4
    • HY-N6949
    • CCG-40256
    • NSC-34266
    • s5512
    • ZB1862
    • 5-Hydroxy-1,4-naphthoquinone, 97%
    • AKOS001576598
    • 5-Hydroxy-1,4-naphthalenedione, 9CI
    • CS-W017516
    • EBC-446046
    • FH34620
    • SDCCGMLS-0066542.P001
    • IDI1_001026
    • IDI1_002164
    • SMP1_000168
    • 481-39-0

  • Applications

    Juglone (CAS 481-39-0) is a natural naphthoquinone with defined applications across several industries. It is studied as an allelopathic natural product with potential use as a plant-growth inhibitor in agriculture, offering a basis for natural weed-management approaches. In organic synthesis, it serves as a building block for naphthoquinone derivatives used in pigments and specialty dyes, and may be employed as a colorant in coatings and inks. It has demonstrated antimicrobial activity in research and may be explored for coatings or packaging applications requiring biocidal properties. It is also used as a research reagent and scaffold in medicinal chemistry for exploring naphthoquinone-based compounds, subject to regulatory and safety limitations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.98
    methanol 25.62
    isopropanol 12.67
    water 1.09
    ethyl acetate 38.97
    n-propanol 12.9
    acetone 89.91
    n-butanol 11.96
    acetonitrile 43.72
    DMF 341.35
    toluene 9.56
    isobutanol 9.67
    1,4-dioxane 168.46
    methyl acetate 57.97
    THF 203.06
    2-butanone 55.97
    n-pentanol 14.98
    sec-butanol 11.86
    n-hexane 1.97
    ethylene glycol 25.9
    NMP 156.96
    cyclohexane 0.88
    DMSO 372.05
    n-butyl acetate 36.98
    n-octanol 25.2
    chloroform 37.55
    n-propyl acetate 36.59
    acetic acid 23.45
    dichloromethane 50.18
    cyclohexanone 68.91
    propylene glycol 9.65
    isopropyl acetate 31.21
    DMAc 209.73
    2-ethoxyethanol 62.14
    isopentanol 13.38
    n-heptane 2.99
    ethyl formate 30.68
    1,2-dichloroethane 53.54
    n-hexanol 25.09
    2-methoxyethanol 97.07
    isobutyl acetate 21.94
    tetrachloromethane 8.87
    n-pentyl acetate 32.76
    transcutol 104.33
    n-heptanol 21.96
    ethylbenzene 13.33
    MIBK 38.29
    2-propoxyethanol 82.23
    tert-butanol 23.6
    MTBE 23.33
    2-butoxyethanol 55.31
    propionic acid 18.62
    o-xylene 12.56
    formic acid 19.57
    diethyl ether 28.23
    m-xylene 13.35
    p-xylene 18.03
    chlorobenzene 18.4
    dimethyl carbonate 62.16
    n-octane 2.67
    formamide 54.81
    cyclopentanone 139.62
    2-pentanone 48.14
    anisole 43.09
    cyclopentyl methyl ether 51.41
    gamma-butyrolactone 146.59
    1-methoxy-2-propanol 65.43
    pyridine 48.73
    3-pentanone 42.73
    furfural 110.49
    n-dodecane 3.56
    diethylene glycol 98.67
    diisopropyl ether 12.45
    tert-amyl alcohol 19.14
    acetylacetone 93.48
    n-hexadecane 4.15
    acetophenone 45.32
    methyl propionate 51.73
    isopentyl acetate 34.04
    trichloroethylene 78.99
    n-nonanol 24.02
    cyclohexanol 14.7
    benzyl alcohol 28.07
    2-ethylhexanol 20.17
    isooctanol 18.7
    dipropyl ether 27.12
    1,2-dichlorobenzene 24.77
    ethyl lactate 33.0
    propylene carbonate 51.11
    n-methylformamide 86.01
    2-pentanol 10.74
    n-pentane 0.95
    1-propoxy-2-propanol 53.68
    1-methoxy-2-propyl acetate 57.98
    2-(2-methoxypropoxy) propanol 53.68
    mesitylene 11.55
    ε-caprolactone 57.59
    p-cymene 13.36
    epichlorohydrin 166.5
    1,1,1-trichloroethane 34.24
    2-aminoethanol 21.77
    morpholine-4-carbaldehyde 196.48
    sulfolane 197.98
    2,2,4-trimethylpentane 1.47
    2-methyltetrahydrofuran 65.68
    n-hexyl acetate 45.04
    isooctane 1.62
    2-(2-butoxyethoxy)ethanol 66.38
    sec-butyl acetate 25.14
    tert-butyl acetate 44.19
    decalin 3.14
    glycerin 32.65
    diglyme 139.85
    acrylic acid 22.86
    isopropyl myristate 24.16
    n-butyric acid 21.41
    acetyl acetate 33.04
    di(2-ethylhexyl) phthalate 20.18
    ethyl propionate 39.88
    nitromethane 124.03
    1,2-diethoxyethane 44.71
    benzonitrile 34.44
    trioctyl phosphate 19.64
    1-bromopropane 17.46
    gamma-valerolactone 162.19
    n-decanol 19.87
    triethyl phosphate 27.91
    4-methyl-2-pentanol 11.64
    propionitrile 30.17
    vinylene carbonate 49.94
    1,1,2-trichlorotrifluoroethane 82.82
    DMS 56.86
    cumene 12.17
    2-octanol 18.15
    2-hexanone 43.16
    octyl acetate 28.98
    limonene 15.43
    1,2-dimethoxyethane 139.02
    ethyl orthosilicate 24.46
    tributyl phosphate 20.66
    diacetone alcohol 59.56
    N,N-dimethylaniline 35.67
    acrylonitrile 50.43
    aniline 19.7
    1,3-propanediol 30.61
    bromobenzene 17.32
    dibromomethane 26.17
    1,1,2,2-tetrachloroethane 60.05
    2-methyl-cyclohexyl acetate 29.77
    tetrabutyl urea 32.08
    diisobutyl methanol 17.03
    2-phenylethanol 36.27
    styrene 14.21
    dioctyl adipate 29.86
    dimethyl sulfate 129.52
    ethyl butyrate 31.94
    methyl lactate 43.33
    butyl lactate 27.67
    diethyl carbonate 25.84
    propanediol butyl ether 41.73
    triethyl orthoformate 27.43
    p-tert-butyltoluene 13.72
    methyl 4-tert-butylbenzoate 47.27
    morpholine 114.16
    tert-butylamine 12.0
    n-dodecanol 16.54
    dimethoxymethane 159.7
    ethylene carbonate 40.78
    cyrene 56.04
    2-ethoxyethyl acetate 45.8
    2-ethylhexyl acetate 28.51
    1,2,4-trichlorobenzene 29.0
    4-methylpyridine 45.58
    dibutyl ether 25.91
    2,6-dimethyl-4-heptanol 17.03
    DEF 76.29
    dimethyl isosorbide 91.75
    tetrachloroethylene 43.76
    eugenol 52.57
    triacetin 45.69
    span 80 35.27
    1,4-butanediol 19.55
    1,1-dichloroethane 29.98
    2-methyl-1-pentanol 14.87
    methyl formate 84.73
    2-methyl-1-butanol 10.95
    n-decane 4.95
    butyronitrile 24.94
    3,7-dimethyl-1-octanol 21.17
    1-chlorooctane 18.27
    1-chlorotetradecane 10.1
    n-nonane 4.26
    undecane 4.19
    tert-butylcyclohexane 3.48
    cyclooctane 0.9
    cyclopentanol 23.31
    tetrahydropyran 47.4
    tert-amyl methyl ether 23.95
    2,5,8-trioxanonane 97.32
    1-hexene 7.95
    2-isopropoxyethanol 43.69
    2,2,2-trifluoroethanol 25.91
    methyl butyrate 48.06

    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