2-Ethylanthraquinone

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  • Identifiers

    CAS number
    84-51-5

    Molecular formula
    C16H12O2

    SMILES
    CCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O

    Safety labels

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 45.6%
    Sweet 44.0%
    Herbal 43.53%
    Spicy 38.61%
    Coumarinic 31.07%
    Hay 29.24%
    Balsamic 28.3%
    Bitter 28.15%
    Powdery 28.12%
    Floral 25.99%

     

    Flavor
    Bitter 87.34%
    Lovage 20.71%
    Nitrile 19.12%
    Very strong 18.74%
    Cedarleaf 18.52%
    Indole 18.38%
    Parsley 17.86%
    Ripe apricot 17.82%
    Red fruit 17.81%
    Basil 17.56%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    7.02 (neutral)

    Molecular weight
    236.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    386°C

    Flash point

    • 195.53 ˚C est.

  • Synonyms

    • 2-Ethylanthraquinone
    • 84-51-5
    • 2-Ethyl-9,10-anthraquinone
    • 9,10-Anthracenedione, 2-ethyl-
    • Anthraquinone, 2-ethyl-
    • USAF SO-1
    • beta-Ethylanthraquinone
    • 59YJ81QZKD
    • EINECS 201-535-4
    • DTXSID5044994
    • BRN 1969873
    • AI3-17614
    • NSC 7216
    • NSC-7216
    • EC 201-535-4
    • DTXCID3024994
    • .BETA.-ETHYLANTHRAQUINONE
    • 4-07-00-02583 (Beilstein Handbook Reference)
    • 2Ethylantrachinon
    • 2Ethylanthrachinon
    • betaEthylanthraquinone
    • Anthraquinone, 2ethyl
    • 2Ethyl9,10anthraquinone
    • RefChem:471898
    • 2Ethyl9,10anthracenedione
    • 9,10Anthracenedione, 2ethyl
    • 2ETIL9,10ANTRACENDIONE
    • Anthraquinone, 2-ethyl-(8CI)
    • 201-535-4
    • 2-ethylanthracene-9,10-dione
    • 2-Ethyl anthraquinone
    • 2-Ethyl-anthraquinone
    • MFCD00001237
    • 2-ETHYL-9,10-ANTHRACENEDIONE
    • NSC7216
    • 9, 2-ethyl-
    • UNII-59YJ81QZKD
    • 2-Ethylanthra-9,10-quinone
    • 2-ethyl-9,10-dihydroanthracene-9,10-dione
    • 2-Ethylanthraquinone, 97%
    • SCHEMBL36840
    • MLS000584203
    • CHEMBL42355
    • 2-Ethylanthraquinone, >=97%
    • SCHEMBL8658189
    • SCHEMBL9240147
    • SCHEMBL17999124
    • SCHEMBL29352712
    • 2-Ethylanthra-9,10-quinone #
    • SJEBAWHUJDUKQK-UHFFFAOYSA-
    • HMS2615I06
    • Tox21_301694
    • WLN: L C666 BV IVJ E2
    • MSK157353
    • SBB008818
    • STK396693
    • AKOS001579536
    • CS-W010319
    • FE31197
    • CAS-84-51-5
    • NCGC00245819-01
    • NCGC00256285-01
    • AS-14259
    • SMR000203366
    • DB-056796
    • E0063
    • EU-0034302
    • NS00003835
    • ST45024683
    • E82987
    • F517403
    • Q4596880
    • 2-Ethylanthraquinone, certified reference material, TraceCERT(R)
    • 2-ethylanthraquinone;9,10-anthracenedione, 2-ethyl-;2-ethylanthracene-9,10-dione;anthraquinone, 2-ethyl-;2-ethyl-9,10-anthraquinone;2-ethylanthraquinone 9,10-anthracenedione, 2-ethyl- 2-ethylanthracene-9,10-dione anthraquinone, 2-ethyl- 2-ethyl-9,10-anthraquinone
    • InChI=1/C16H12O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h3-9H,2H2,1H3
    • 84-51-5

  • Applications

    2-Ethylanthraquinone (CAS 84-51-5) is primarily used as an intermediate in the synthesis of anthraquinone-based dyes and pigments, providing a versatile building block for pigment and dye formulations in textiles, coatings, and inks; it is commonly evaluated as a precursor for functionalized anthraquinone derivatives in organic synthesis and polymer pigment systems, and may be used in research and development to explore new pigment chemistries within the limits of applicable regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.36
    methanol 4.65
    isopropanol 2.49
    water 0.01
    ethyl acetate 49.32
    n-propanol 5.92
    acetone 40.94
    n-butanol 6.64
    acetonitrile 17.0
    DMF 347.09
    toluene 106.57
    isobutanol 4.2
    1,4-dioxane 50.92
    methyl acetate 58.34
    THF 61.94
    2-butanone 57.91
    n-pentanol 5.01
    sec-butanol 3.08
    n-hexane 0.61
    ethylene glycol 2.15
    NMP 269.12
    cyclohexane 1.78
    DMSO 36.84
    n-butyl acetate 51.8
    n-octanol 3.84
    chloroform 178.08
    n-propyl acetate 40.12
    acetic acid 17.75
    dichloromethane 218.44
    cyclohexanone 127.98
    propylene glycol 1.8
    isopropyl acetate 47.67
    DMAc 289.11
    2-ethoxyethanol 15.41
    isopentanol 8.72
    n-heptane 0.68
    ethyl formate 24.34
    1,2-dichloroethane 200.34
    n-hexanol 9.31
    2-methoxyethanol 29.29
    isobutyl acetate 31.7
    tetrachloromethane 12.28
    n-pentyl acetate 36.0
    transcutol 94.6
    n-heptanol 7.08
    ethylbenzene 39.19
    MIBK 43.42
    2-propoxyethanol 32.46
    tert-butanol 5.56
    MTBE 12.44
    2-butoxyethanol 22.82
    propionic acid 16.72
    o-xylene 52.34
    formic acid 6.26
    diethyl ether 18.33
    m-xylene 52.62
    p-xylene 44.68
    chlorobenzene 107.12
    dimethyl carbonate 77.27
    n-octane 0.55
    formamide 23.35
    cyclopentanone 153.52
    2-pentanone 49.63
    anisole 74.41
    cyclopentyl methyl ether 42.71
    gamma-butyrolactone 154.04
    1-methoxy-2-propanol 20.85
    pyridine 196.5
    3-pentanone 59.11
    furfural 183.1
    n-dodecane 0.6
    diethylene glycol 22.79
    diisopropyl ether 8.29
    tert-amyl alcohol 5.86
    acetylacetone 113.67
    n-hexadecane 0.77
    acetophenone 96.94
    methyl propionate 65.51
    isopentyl acetate 59.5
    trichloroethylene 493.91
    n-nonanol 4.85
    cyclohexanol 9.84
    benzyl alcohol 41.75
    2-ethylhexanol 10.17
    isooctanol 7.39
    dipropyl ether 13.61
    1,2-dichlorobenzene 119.8
    ethyl lactate 19.39
    propylene carbonate 81.88
    n-methylformamide 57.03
    2-pentanol 3.71
    n-pentane 0.41
    1-propoxy-2-propanol 21.19
    1-methoxy-2-propyl acetate 71.8
    2-(2-methoxypropoxy) propanol 32.29
    mesitylene 28.63
    ε-caprolactone 103.78
    p-cymene 19.31
    epichlorohydrin 207.28
    1,1,1-trichloroethane 106.77
    2-aminoethanol 4.48
    morpholine-4-carbaldehyde 179.63
    sulfolane 169.42
    2,2,4-trimethylpentane 0.83
    2-methyltetrahydrofuran 40.77
    n-hexyl acetate 35.99
    isooctane 0.78
    2-(2-butoxyethoxy)ethanol 31.82
    sec-butyl acetate 35.43
    tert-butyl acetate 60.99
    decalin 3.31
    glycerin 5.96
    diglyme 98.98
    acrylic acid 26.96
    isopropyl myristate 17.05
    n-butyric acid 25.67
    acetyl acetate 58.12
    di(2-ethylhexyl) phthalate 21.77
    ethyl propionate 44.25
    nitromethane 87.28
    1,2-diethoxyethane 39.67
    benzonitrile 79.45
    trioctyl phosphate 11.84
    1-bromopropane 41.95
    gamma-valerolactone 199.6
    n-decanol 3.86
    triethyl phosphate 29.68
    4-methyl-2-pentanol 5.53
    propionitrile 24.46
    vinylene carbonate 100.88
    1,1,2-trichlorotrifluoroethane 103.75
    DMS 89.15
    cumene 21.75
    2-octanol 4.57
    2-hexanone 37.05
    octyl acetate 17.91
    limonene 19.57
    1,2-dimethoxyethane 63.71
    ethyl orthosilicate 25.97
    tributyl phosphate 16.56
    diacetone alcohol 48.61
    N,N-dimethylaniline 49.27
    acrylonitrile 64.93
    aniline 70.81
    1,3-propanediol 8.15
    bromobenzene 129.64
    dibromomethane 101.98
    1,1,2,2-tetrachloroethane 252.85
    2-methyl-cyclohexyl acetate 40.43
    tetrabutyl urea 25.45
    diisobutyl methanol 9.79
    2-phenylethanol 47.29
    styrene 54.34
    dioctyl adipate 27.25
    dimethyl sulfate 120.77
    ethyl butyrate 37.1
    methyl lactate 27.64
    butyl lactate 23.95
    diethyl carbonate 33.06
    propanediol butyl ether 13.37
    triethyl orthoformate 29.62
    p-tert-butyltoluene 18.52
    methyl 4-tert-butylbenzoate 54.77
    morpholine 53.97
    tert-butylamine 3.51
    n-dodecanol 3.25
    dimethoxymethane 92.8
    ethylene carbonate 67.63
    cyrene 46.13
    2-ethoxyethyl acetate 64.45
    2-ethylhexyl acetate 50.18
    1,2,4-trichlorobenzene 145.05
    4-methylpyridine 185.3
    dibutyl ether 11.61
    2,6-dimethyl-4-heptanol 9.79
    DEF 118.69
    dimethyl isosorbide 94.81
    tetrachloroethylene 164.67
    eugenol 52.48
    triacetin 49.72
    span 80 21.06
    1,4-butanediol 2.97
    1,1-dichloroethane 79.95
    2-methyl-1-pentanol 8.5
    methyl formate 47.32
    2-methyl-1-butanol 7.0
    n-decane 0.79
    butyronitrile 17.92
    3,7-dimethyl-1-octanol 7.34
    1-chlorooctane 5.64
    1-chlorotetradecane 3.19
    n-nonane 0.6
    undecane 0.67
    tert-butylcyclohexane 2.66
    cyclooctane 0.85
    cyclopentanol 9.27
    tetrahydropyran 34.77
    tert-amyl methyl ether 15.86
    2,5,8-trioxanonane 66.27
    1-hexene 4.82
    2-isopropoxyethanol 13.67
    2,2,2-trifluoroethanol 14.0
    methyl butyrate 53.41

    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