Citreorosein

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  • Identifiers

    CAS number
    481-73-2

    Molecular formula
    C15H10O6

    SMILES
    C1=C(C=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3)O)O)O)CO

    Safety labels

  • Odor profile

    Fragrance
    Odorless 63.0%
    Phenolic 41.48%
    Burnt 25.42%
    Balsamic 24.78%
    Bitter 24.63%
    Vanilla 23.82%
    Sweet 22.83%
    Milky 20.64%
    Dry 20.62%
    Spicy 20.49%

     

    Flavor
    Bitter 93.99%
    Odorless 30.28%
    Bland 22.5%
    Sweet-like 20.93%
    Cedarleaf 19.8%
    Nitrile 19.74%
    Lovage 19.67%
    Very strong 19.06%
    Parsley 19.03%
    Indole 18.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    8.89 (weak base)

    Molecular weight
    286.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    972°C

    Melting point expt.

    • 288 °C

    Flash point

    • 307.32 ˚C est.

  • Synonyms

    • Citreorosein
    • Omega-hydroxyemodin
    • 481-73-2
    • 1,3,8-trihydroxy-6-(hydroxymethyl)anthracene-9,10-dione
    • 9,10-Anthracenedione, 1,3,8-trihydroxy-6-(hydroxymethyl)-
    • O2H2Z421AP
    • DTXSID60197420
    • NSC-624612
    • 1,3,8-TRIHYDROXY-6-(HYDROXYMETHYL)-9,10-DIHYDROANTHRACENE-9,10-DIONE
    • RefChem:918726
    • DTXCID70119911
    • 1,3,8-Trihydroxy-6-hydroxymethylanthraquinone
    • .omega.-Hydroxyemodin
    • w-Hydroxyemodin
    • 1,3,8-Trihydroxy-6-(hydroxymethyl)anthra-9,10-quinone
    • CHEMBL290932
    • CHEBI:81348
    • NSC624612
    • CCRIS 1319
    • UNII-O2H2Z421AP
    • Anthraquinone, 1,3,8-trihydroxy-6-(hydroxymethyl)-Hydroxyemodin; NSC 624612; omega-Hydroxyemodin
    • 6-OH-emodin
    • HYDROXYEMODIN
    • orb1684695
    • HYDROXYEMODIN, .OMEGA.-
    • SCHEMBL18048123
    • SCHEMBL29361402
    • SCHEMBL30761641
    • ACon1_001349
    • GTPL11005
    • AAA48173
    • HY-N3592
    • BDBM50020376
    • AKOS028108661
    • FS-9919
    • NCGC00180600-01
    • AC-37073
    • DA-62351
    • CS-0023907
    • NS00067889
    • C17810
    • F21513
    • BRD-K95337480-001-01-4
    • Q27155287
    • 1,3,8-TRIHYDROXY-6-(HYDROXYMETHYL)ANTHRAQUINONE
    • 1,3,8-Trihydroxy-6-(hydroxymethyl)-9,10-Anthracenedione
    • ANTHRAQUINONE, 1,3,8-TRIHYDROXY-6-(HYDROXYMETHYL)-
    • Anthraquinone, 1,3,8-trihydroxy-6-(hydroxymethyl)-ydroxyemodin; NSC 624612; -Hydroxyemodin
    • 481-73-2

  • Applications

    Citreorosein (CAS 481-73-2) is primarily described as a pigment/colorant with practical relevance in several industrial applications. In coatings and inks, it can function as a pigment to impart yellow to orange hues; in polymers and plastics, it is evaluated as a color additive for decorative finishes and molded parts; it is occasionally considered as an intermediate in organic synthesis or dye chemistry; in cosmetics and personal care, it may be used as a colorant under regulatory control; and it is also of interest for specialty pigment formulations and dye applications in research settings, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.5
    methanol 0.18
    isopropanol 0.55
    water 0.01
    ethyl acetate 0.96
    n-propanol 0.56
    acetone 0.49
    n-butanol 0.6
    acetonitrile 0.66
    DMF 19.64
    toluene 0.16
    isobutanol 0.29
    1,4-dioxane 3.12
    methyl acetate 1.12
    THF 14.93
    2-butanone 1.19
    n-pentanol 0.65
    sec-butanol 0.36
    n-hexane 0.01
    ethylene glycol 2.48
    NMP 30.4
    cyclohexane 0.01
    DMSO 33.55
    n-butyl acetate 2.11
    n-octanol 1.72
    chloroform 0.01
    n-propyl acetate 1.83
    acetic acid 1.5
    dichloromethane 0.01
    cyclohexanone 3.03
    propylene glycol 1.75
    isopropyl acetate 1.11
    DMAc 35.34
    2-ethoxyethanol 7.98
    isopentanol 0.71
    n-heptane 0.02
    ethyl formate 0.76
    1,2-dichloroethane 0.05
    n-hexanol 0.92
    2-methoxyethanol 14.4
    isobutyl acetate 0.85
    tetrachloromethane 0.01
    n-pentyl acetate 1.98
    transcutol 13.05
    n-heptanol 1.9
    ethylbenzene 0.23
    MIBK 1.29
    2-propoxyethanol 15.62
    tert-butanol 1.4
    MTBE 0.29
    2-butoxyethanol 8.77
    propionic acid 1.27
    o-xylene 0.23
    formic acid 2.65
    diethyl ether 0.27
    m-xylene 0.23
    p-xylene 0.25
    chlorobenzene 0.06
    dimethyl carbonate 3.16
    n-octane 0.02
    formamide 6.34
    cyclopentanone 7.23
    2-pentanone 1.18
    anisole 1.39
    cyclopentyl methyl ether 2.0
    gamma-butyrolactone 11.08
    1-methoxy-2-propanol 12.85
    pyridine 2.32
    3-pentanone 0.77
    furfural 8.2
    n-dodecane 0.05
    diethylene glycol 18.56
    diisopropyl ether 0.14
    tert-amyl alcohol 0.79
    acetylacetone 3.12
    n-hexadecane 0.06
    acetophenone 2.82
    methyl propionate 2.44
    isopentyl acetate 2.1
    trichloroethylene 0.12
    n-nonanol 1.97
    cyclohexanol 0.67
    benzyl alcohol 1.99
    2-ethylhexanol 0.89
    isooctanol 1.51
    dipropyl ether 1.3
    1,2-dichlorobenzene 0.12
    ethyl lactate 4.43
    propylene carbonate 3.46
    n-methylformamide 5.01
    2-pentanol 0.38
    n-pentane 0.0
    1-propoxy-2-propanol 9.86
    1-methoxy-2-propyl acetate 7.3
    2-(2-methoxypropoxy) propanol 9.35
    mesitylene 0.19
    ε-caprolactone 5.12
    p-cymene 0.44
    epichlorohydrin 4.6
    1,1,1-trichloroethane 0.03
    2-aminoethanol 2.79
    morpholine-4-carbaldehyde 25.14
    sulfolane 28.87
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 2.21
    n-hexyl acetate 2.54
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 10.46
    sec-butyl acetate 1.08
    tert-butyl acetate 2.12
    decalin 0.02
    glycerin 11.75
    diglyme 17.33
    acrylic acid 2.27
    isopropyl myristate 1.41
    n-butyric acid 1.46
    acetyl acetate 0.75
    di(2-ethylhexyl) phthalate 2.15
    ethyl propionate 2.04
    nitromethane 4.93
    1,2-diethoxyethane 2.84
    benzonitrile 1.4
    trioctyl phosphate 1.94
    1-bromopropane 0.03
    gamma-valerolactone 17.79
    n-decanol 1.51
    triethyl phosphate 2.43
    4-methyl-2-pentanol 0.49
    propionitrile 0.99
    vinylene carbonate 2.65
    1,1,2-trichlorotrifluoroethane 9.49
    DMS 3.18
    cumene 0.2
    2-octanol 1.07
    2-hexanone 1.67
    octyl acetate 2.08
    limonene 0.4
    1,2-dimethoxyethane 11.97
    ethyl orthosilicate 2.07
    tributyl phosphate 1.77
    diacetone alcohol 8.55
    N,N-dimethylaniline 1.72
    acrylonitrile 2.43
    aniline 0.81
    1,3-propanediol 3.83
    bromobenzene 0.04
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.16
    2-methyl-cyclohexyl acetate 2.68
    tetrabutyl urea 3.86
    diisobutyl methanol 0.82
    2-phenylethanol 3.09
    styrene 0.16
    dioctyl adipate 2.68
    dimethyl sulfate 9.32
    ethyl butyrate 2.29
    methyl lactate 7.96
    butyl lactate 3.47
    diethyl carbonate 1.86
    propanediol butyl ether 6.46
    triethyl orthoformate 2.92
    p-tert-butyltoluene 0.42
    methyl 4-tert-butylbenzoate 5.47
    morpholine 7.06
    tert-butylamine 0.33
    n-dodecanol 1.07
    dimethoxymethane 9.62
    ethylene carbonate 2.14
    cyrene 14.06
    2-ethoxyethyl acetate 3.49
    2-ethylhexyl acetate 1.58
    1,2,4-trichlorobenzene 0.27
    4-methylpyridine 1.74
    dibutyl ether 1.1
    2,6-dimethyl-4-heptanol 0.82
    DEF 4.71
    dimethyl isosorbide 17.34
    tetrachloroethylene 0.1
    eugenol 6.98
    triacetin 4.23
    span 80 5.85
    1,4-butanediol 1.57
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.65
    methyl formate 2.31
    2-methyl-1-butanol 0.5
    n-decane 0.06
    butyronitrile 0.74
    3,7-dimethyl-1-octanol 1.2
    1-chlorooctane 0.28
    1-chlorotetradecane 0.18
    n-nonane 0.04
    undecane 0.05
    tert-butylcyclohexane 0.02
    cyclooctane 0.01
    cyclopentanol 1.12
    tetrahydropyran 0.96
    tert-amyl methyl ether 0.53
    2,5,8-trioxanonane 15.41
    1-hexene 0.04
    2-isopropoxyethanol 5.1
    2,2,2-trifluoroethanol 1.3
    methyl butyrate 2.53

    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