1,4-Anthraquinone

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  • Identifiers

    CAS number
    635-12-1

    Molecular formula
    C14H8O2

    SMILES
    C1=CC=C2C=C3C(=O)C=CC(=O)C3=CC2=C1

    Safety labels

  • Odor profile

    Fragrance
    Sweet 57.44%
    Coumarinic 42.42%
    Spicy 34.24%
    Burnt 34.06%
    Phenolic 34.03%
    Nutty 33.31%
    Bitter 32.77%
    Almond 31.78%
    Balsamic 31.27%
    Powdery 30.77%

     

    Flavor
    Bitter 87.1%
    Nitrile 19.7%
    Lovage 19.45%
    Very strong 18.68%
    Indole 18.17%
    Fenugreek 18.12%
    Moth ball 18.09%
    Urine 17.97%
    Naphthelene 17.88%
    Tar 17.52%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    6.28 (neutral)

    Molecular weight
    208.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    415°C

    Flash point

    • 191.71 ˚C est.

  • Synonyms

    • 1,4-Anthraquinone
    • 635-12-1
    • DTXSID10212899
    • RefChem:73041
    • DTXCID90135390
    • 211-228-7
    • anthracene-1,4-dione
    • 1,4-Anthracenedione
    • MFCD00013724
    • 1,4-Dioxoanthracene
    • 1,4-Anthracenequinone
    • 1,4-dihydroanthracene-1,4-dione
    • EINECS 211-228-7
    • NSC104530
    • SCHEMBL449382
    • orb1297146
    • SCHEMBL2106709
    • SCHEMBL29534567
    • AKOS004907700
    • HY-W077242
    • NSC 104530
    • NSC-104530
    • AS-19220
    • SY049530
    • DB-005638
    • CS-0119909
    • NS00001744
    • ST50410439
    • A12708
    • EN300-202117
    • F319579
    • 635-12-1

  • Applications

    Chemical name: 1,4-Anthraquinone; CAS number: 635-12-1. 1,4-Anthraquinone is primarily an industrial intermediate used to manufacture anthraquinone-based dyes and pigments for textiles and printing inks. It serves as a building block for dye intermediates employed in coatings and plastics colorants. It is also used as a precursor in the synthesis of specialty organic compounds and derivatives, and is occasionally explored for redox-active materials and related applications in electronics or energy storage. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.4
    methanol 0.37
    isopropanol 0.19
    water 0.0
    ethyl acetate 7.4
    n-propanol 0.33
    acetone 4.35
    n-butanol 0.29
    acetonitrile 3.18
    DMF 18.43
    toluene 9.8
    isobutanol 0.24
    1,4-dioxane 13.55
    methyl acetate 10.25
    THF 21.01
    2-butanone 8.25
    n-pentanol 0.44
    sec-butanol 0.3
    n-hexane 0.09
    ethylene glycol 0.28
    NMP 40.81
    cyclohexane 0.11
    DMSO 7.61
    n-butyl acetate 10.96
    n-octanol 0.77
    chloroform 7.86
    n-propyl acetate 8.63
    acetic acid 2.33
    dichloromethane 16.77
    cyclohexanone 13.01
    propylene glycol 0.21
    isopropyl acetate 7.74
    DMAc 40.56
    2-ethoxyethanol 3.0
    isopentanol 0.5
    n-heptane 0.18
    ethyl formate 3.47
    1,2-dichloroethane 15.52
    n-hexanol 0.86
    2-methoxyethanol 3.33
    isobutyl acetate 5.49
    tetrachloromethane 1.03
    n-pentyl acetate 7.04
    transcutol 30.4
    n-heptanol 0.99
    ethylbenzene 9.48
    MIBK 4.37
    2-propoxyethanol 5.07
    tert-butanol 0.5
    MTBE 1.67
    2-butoxyethanol 4.34
    propionic acid 1.98
    o-xylene 8.91
    formic acid 1.05
    diethyl ether 1.96
    m-xylene 5.9
    p-xylene 10.1
    chlorobenzene 7.06
    dimethyl carbonate 11.45
    n-octane 0.14
    formamide 4.86
    cyclopentanone 24.09
    2-pentanone 4.42
    anisole 21.43
    cyclopentyl methyl ether 6.22
    gamma-butyrolactone 37.65
    1-methoxy-2-propanol 2.33
    pyridine 31.26
    3-pentanone 6.75
    furfural 42.39
    n-dodecane 0.14
    diethylene glycol 4.1
    diisopropyl ether 1.43
    tert-amyl alcohol 0.69
    acetylacetone 18.3
    n-hexadecane 0.19
    acetophenone 27.23
    methyl propionate 8.15
    isopentyl acetate 11.99
    trichloroethylene 45.0
    n-nonanol 1.05
    cyclohexanol 0.6
    benzyl alcohol 6.29
    2-ethylhexanol 1.57
    isooctanol 1.18
    dipropyl ether 3.9
    1,2-dichlorobenzene 14.54
    ethyl lactate 4.69
    propylene carbonate 17.24
    n-methylformamide 4.53
    2-pentanol 0.28
    n-pentane 0.04
    1-propoxy-2-propanol 3.99
    1-methoxy-2-propyl acetate 19.45
    2-(2-methoxypropoxy) propanol 10.97
    mesitylene 4.3
    ε-caprolactone 16.67
    p-cymene 6.31
    epichlorohydrin 39.81
    1,1,1-trichloroethane 7.54
    2-aminoethanol 0.46
    morpholine-4-carbaldehyde 38.21
    sulfolane 36.89
    2,2,4-trimethylpentane 0.14
    2-methyltetrahydrofuran 9.14
    n-hexyl acetate 7.73
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 9.63
    sec-butyl acetate 8.9
    tert-butyl acetate 11.46
    decalin 0.71
    glycerin 0.87
    diglyme 33.38
    acrylic acid 3.32
    isopropyl myristate 4.85
    n-butyric acid 1.88
    acetyl acetate 13.24
    di(2-ethylhexyl) phthalate 6.31
    ethyl propionate 10.49
    nitromethane 16.12
    1,2-diethoxyethane 13.47
    benzonitrile 12.31
    trioctyl phosphate 3.0
    1-bromopropane 2.48
    gamma-valerolactone 36.64
    n-decanol 0.87
    triethyl phosphate 10.91
    4-methyl-2-pentanol 0.53
    propionitrile 2.54
    vinylene carbonate 18.75
    1,1,2-trichlorotrifluoroethane 16.7
    DMS 25.93
    cumene 6.35
    2-octanol 0.69
    2-hexanone 6.76
    octyl acetate 4.7
    limonene 4.96
    1,2-dimethoxyethane 15.32
    ethyl orthosilicate 9.47
    tributyl phosphate 4.66
    diacetone alcohol 7.71
    N,N-dimethylaniline 16.07
    acrylonitrile 6.93
    aniline 5.15
    1,3-propanediol 0.66
    bromobenzene 9.98
    dibromomethane 6.23
    1,1,2,2-tetrachloroethane 19.33
    2-methyl-cyclohexyl acetate 13.08
    tetrabutyl urea 7.5
    diisobutyl methanol 1.81
    2-phenylethanol 8.21
    styrene 9.81
    dioctyl adipate 9.57
    dimethyl sulfate 27.1
    ethyl butyrate 12.44
    methyl lactate 4.5
    butyl lactate 5.45
    diethyl carbonate 11.63
    propanediol butyl ether 3.17
    triethyl orthoformate 10.47
    p-tert-butyltoluene 5.53
    methyl 4-tert-butylbenzoate 18.75
    morpholine 9.41
    tert-butylamine 0.32
    n-dodecanol 0.75
    dimethoxymethane 9.37
    ethylene carbonate 10.7
    cyrene 13.38
    2-ethoxyethyl acetate 17.71
    2-ethylhexyl acetate 12.2
    1,2,4-trichlorobenzene 23.46
    4-methylpyridine 19.13
    dibutyl ether 3.15
    2,6-dimethyl-4-heptanol 1.81
    DEF 12.52
    dimethyl isosorbide 36.11
    tetrachloroethylene 14.29
    eugenol 15.89
    triacetin 19.98
    span 80 6.51
    1,4-butanediol 0.37
    1,1-dichloroethane 3.66
    2-methyl-1-pentanol 0.95
    methyl formate 4.94
    2-methyl-1-butanol 0.45
    n-decane 0.21
    butyronitrile 1.45
    3,7-dimethyl-1-octanol 1.41
    1-chlorooctane 1.18
    1-chlorotetradecane 0.72
    n-nonane 0.16
    undecane 0.17
    tert-butylcyclohexane 0.59
    cyclooctane 0.11
    cyclopentanol 0.82
    tetrahydropyran 4.41
    tert-amyl methyl ether 2.54
    2,5,8-trioxanonane 24.54
    1-hexene 0.53
    2-isopropoxyethanol 2.93
    2,2,2-trifluoroethanol 2.48
    methyl butyrate 10.97

    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