1,2-Naphthoquinone

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  • Identifiers

    CAS number
    524-42-5

    Molecular formula
    C10H6O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sweet 66.5%
    Caramellic 53.53%
    Burnt 47.23%
    Coumarinic 43.97%
    Nutty 41.88%
    Spicy 40.55%
    Phenolic 37.04%
    Almond 35.15%
    Coconut 30.13%
    Hay 29.63%

    Scent© AI

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    6.71 (neutral)

    Molecular weight
    158.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    299°C

    Melting point expt.

    • 293 to 297 °F (Decomposes) (NTP, 1992)
    • 145-7 °C (decomp)

    Flash point est.
    126.54 ˚C

    Solubility expt.

    • less than 1 mg/mL at 70 °F (NTP, 1992)
    • Sol in alcohol, benzene, ether, 5% sodium hydroxide, 5% sodium bicarbonate; sol in concn sulfuric acid with green color; practically insol in water
    • SLIGHTLY SOL IN PETROLEUM ETHER

  • Synonyms

    • 1,2-NAPHTHOQUINONE
    • 524-42-5
    • 1,2-Naphthalenedione
    • naphthalene-1,2-dione
    • o-Naphthoquinone
    • beta-Naphthoquinone
    • 1,2-Naphthaquinone
    • .beta.-Naphthoquinone
    • 1,2-Naftochinon
    • ortho-naphthoquinone
    • 1,2-Naftochinon [Czech]
    • 1,2-dihydronaphthalene-1,2-dione
    • 1,2-Dihydro-1,2-diketo-naphthalene
    • CCRIS 1558
    • HSDB 2036
    • NSC 9831
    • EINECS 208-360-2
    • MFCD00001698
    • BRN 0606546
    • CHEBI:34055
    • AI3-14930
    • NSC-9831
    • 804K62F61Q
    • CHEMBL52347
    • MLS000069467
    • NAPHTHOQUINONE, 1,2-
    • DTXSID2060171
    • 1,2-NAPHTHOQUINONE [MI]
    • 1,2-NAPHTHOQUINONE [HSDB]
    • 4-07-00-02417 (Beilstein Handbook Reference)
    • SMR000059112
    • oNaphthoquinone
    • betaNaphthoquinone
    • UNII-804K62F61Q
    • 1,2Naftochinon
    • orthonaphthoquinone
    • 1,2Naphthaquinone
    • ortho-1
    • 1,2naphthalenedione
    • Naphthoquinone-(1,2)
    • Opera_ID_1388
    • WLN: L66 BVVJ
    • 1,2-Naphthoquinone, 97%
    • cid_10667
    • SCHEMBL173316
    • 1,2Dihydro1,2diketonaphthalene
    • 1,2-Dione-Based Compound, 8
    • DTXCID6041189
    • BDBM22851
    • NSC9831
    • 1,2-Naphthoquinone, technical grade
    • BBL027354
    • STK581215
    • AKOS003588995
    • AKOS025243285
    • FN01989
    • AC-15181
    • AS-48267
    • PD147991
    • SY033798
    • DB-005062
    • N0041
    • NS00032507
    • EN300-31420
    • F30116
    • Q171721
    • Z324553598
    • 208-360-2

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 35.99
    methanol 40.08
    isopropanol 23.59
    water 0.4
    ethyl acetate 291.7
    n-propanol 32.29
    acetone 467.4
    n-butanol 29.52
    acetonitrile 313.06
    DMF 713.35
    toluene 173.31
    isobutanol 21.24
    1,4-dioxane 490.45
    methyl acetate 421.65
    THF 563.49
    2-butanone 334.12
    n-pentanol 29.84
    sec-butanol 24.68
    n-hexane 8.58
    ethylene glycol 22.28
    NMP 656.64
    cyclohexane 17.85
    DMSO 465.48
    n-butyl acetate 151.69
    n-octanol 39.63
    chloroform 448.54
    n-propyl acetate 156.67
    acetic acid 89.91
    dichloromethane 759.07
    cyclohexanone 437.73
    propylene glycol 13.35
    isopropyl acetate 142.17
    DMAc 423.44
    2-ethoxyethanol 93.16
    isopentanol 30.5
    n-heptane 11.81
    ethyl formate 149.58
    1,2-dichloroethane 714.61
    n-hexanol 45.63
    2-methoxyethanol 155.56
    isobutyl acetate 80.89
    tetrachloromethane 57.6
    n-pentyl acetate 104.32
    transcutol 634.64
    n-heptanol 32.47
    ethylbenzene 72.55
    MIBK 110.38
    2-propoxyethanol 127.33
    tert-butanol 38.78
    MTBE 83.54
    2-butoxyethanol 87.7
    propionic acid 84.62
    o-xylene 92.24
    formic acid 34.28
    diethyl ether 155.44
    m-xylene 95.14
    p-xylene 90.87
    chlorobenzene 240.89
    dimethyl carbonate 215.01
    n-octane 8.23
    formamide 147.16
    cyclopentanone 693.28
    2-pentanone 227.16
    anisole 170.37
    cyclopentyl methyl ether 209.24
    gamma-butyrolactone 743.01
    1-methoxy-2-propanol 98.37
    pyridine 554.81
    3-pentanone 231.55
    furfural 556.07
    n-dodecane 7.78
    diethylene glycol 111.38
    diisopropyl ether 44.98
    tert-amyl alcohol 33.55
    acetylacetone 386.72
    n-hexadecane 9.44
    acetophenone 181.67
    methyl propionate 275.97
    isopentyl acetate 122.99
    trichloroethylene 1161.21
    n-nonanol 38.01
    cyclohexanol 48.4
    benzyl alcohol 89.52
    2-ethylhexanol 37.73
    isooctanol 29.58
    dipropyl ether 70.24
    1,2-dichlorobenzene 213.14
    ethyl lactate 56.26
    propylene carbonate 281.91
    n-methylformamide 270.64
    2-pentanol 23.4
    n-pentane 6.33
    1-propoxy-2-propanol 83.28
    1-methoxy-2-propyl acetate 170.11
    2-(2-methoxypropoxy) propanol 119.73
    mesitylene 61.34
    ε-caprolactone 335.01
    p-cymene 41.86
    epichlorohydrin 902.66
    1,1,1-trichloroethane 359.34
    2-aminoethanol 26.83
    morpholine-4-carbaldehyde 558.06
    sulfolane 632.56
    2,2,4-trimethylpentane 5.58
    2-methyltetrahydrofuran 317.87
    n-hexyl acetate 145.64
    isooctane 5.82
    2-(2-butoxyethoxy)ethanol 158.1
    sec-butyl acetate 94.22
    tert-butyl acetate 140.91
    decalin 14.65
    glycerin 34.84
    diglyme 407.95
    acrylic acid 106.46
    isopropyl myristate 59.44
    n-butyric acid 87.71
    acetyl acetate 198.04
    di(2-ethylhexyl) phthalate 47.02
    ethyl propionate 152.88
    nitromethane 572.2
    1,2-diethoxyethane 210.58
    benzonitrile 203.68
    trioctyl phosphate 35.69
    1-bromopropane 163.77
    gamma-valerolactone 642.62
    n-decanol 31.5
    triethyl phosphate 60.74
    4-methyl-2-pentanol 21.8
    propionitrile 152.6
    vinylene carbonate 273.2
    1,1,2-trichlorotrifluoroethane 251.85
    DMS 231.3
    cumene 42.39
    2-octanol 26.96
    2-hexanone 147.11
    octyl acetate 72.49
    limonene 51.62
    1,2-dimethoxyethane 274.85
    ethyl orthosilicate 52.61
    tributyl phosphate 45.75
    diacetone alcohol 129.71
    N,N-dimethylaniline 93.32
    acrylonitrile 301.12
    aniline 123.1
    1,3-propanediol 44.14
    bromobenzene 272.64
    dibromomethane 358.32
    1,1,2,2-tetrachloroethane 555.82
    2-methyl-cyclohexyl acetate 81.27
    tetrabutyl urea 70.1
    diisobutyl methanol 31.59
    2-phenylethanol 92.65
    styrene 102.99
    dioctyl adipate 82.96
    dimethyl sulfate 326.35
    ethyl butyrate 107.63
    methyl lactate 90.31
    butyl lactate 64.38
    diethyl carbonate 79.95
    propanediol butyl ether 71.57
    triethyl orthoformate 69.38
    p-tert-butyltoluene 40.33
    methyl 4-tert-butylbenzoate 123.69
    morpholine 373.78
    tert-butylamine 22.16
    n-dodecanol 26.05
    dimethoxymethane 344.44
    ethylene carbonate 207.26
    cyrene 114.19
    2-ethoxyethyl acetate 193.94
    2-ethylhexyl acetate 102.01
    1,2,4-trichlorobenzene 263.03
    4-methylpyridine 409.33
    dibutyl ether 75.59
    2,6-dimethyl-4-heptanol 31.59
    DEF 285.56
    dimethyl isosorbide 232.67
    tetrachloroethylene 347.01
    eugenol 111.56
    triacetin 168.37
    span 80 75.29
    1,4-butanediol 22.05
    1,1-dichloroethane 384.41
    2-methyl-1-pentanol 31.59
    methyl formate 285.94
    2-methyl-1-butanol 25.92
    n-decane 11.34
    butyronitrile 100.15
    3,7-dimethyl-1-octanol 42.15
    1-chlorooctane 45.88
    1-chlorotetradecane 22.06
    n-nonane 10.79
    undecane 9.34
    tert-butylcyclohexane 11.36
    cyclooctane 9.3
    cyclopentanol 71.28
    tetrahydropyran 283.43
    tert-amyl methyl ether 70.12
    2,5,8-trioxanonane 245.99
    1-hexene 30.64
    2-isopropoxyethanol 71.58
    2,2,2-trifluoroethanol 67.75
    methyl butyrate 183.93

    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