Citracridone I

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  • Identifiers

    CAS number
    81525-61-3

    Molecular formula
    C20H19NO5

    SMILES
    CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC(=C4OC)O)C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 48.29%
    Spicy 33.24%
    Sweet 31.8%
    Odorless 29.66%
    Woody 29.42%
    Powdery 27.99%
    Burnt 27.92%
    Fruity 27.82%
    Smoky 27.7%
    Dry 27.39%

     

    Flavor
    Bitter 93.51%
    Bland 21.42%
    Odorless 21.33%
    Cedarleaf 20.03%
    Parsley 20.02%
    Sweet-like 19.43%
    Lovage 19.16%
    Red fruit 18.74%
    Ripe apricot 18.73%
    Eugenol 18.73%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.11 (weak base)

    Molecular weight
    353.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1086°C

    Melting point expt.

    • 275 - 278 °C

    Flash point

    • 259.45 ˚C est.

  • Synonyms

    • citracridone I
    • Citracridone-I
    • Citra-I
    • 81525-61-3
    • A6PVJ9XP6K
    • 6,10-dihydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
    • DTXSID40231179
    • 7,11-DIHYDROXY-6-METHOXY-2,2,5-TRIMETHYL-5,10-DIHYDRO-2H-1-OXA-5-AZATETRAPHEN-10-ONE
    • 7H-Pyrano(2,3-c)acridin-7-one, 3,12-dihydro-6,10-dihydroxy-11-methoxy-3,3,12-trimethyl-
    • 6,10-dihydroxy-11-methoxy-3,3,12-trimethylpyrano(2,3-c)acridin-7-one
    • 7H-Pyrano[2,3-c]acridin-7-one, 3,12-dihydro-6,10-dihydroxy-11-methoxy-3,3,12-trimethyl-
    • RefChem:126511
    • DTXCID90153670
    • UNII-A6PVJ9XP6K
    • CHEMBL451706
    • SCHEMBL27843302
    • CHEBI:174755
    • 6,10-dihydroxy-11-methoxy-3,3,12-trimethyl-pyrano[2,3-c]acridin-7-one
    • 11-METHOXY-3,3,12-TRIMETHYL-6,10-BIS(OXIDANYL)PYRANO(2,3-C)ACRIDIN-7-ONE
    • 6,10-Dihydroxy-11-methoxy-3,3,12-trimethyl-3,12-dihydro-7H-pyrano[2,3-c]acridin-7-one
    • 3,12-DIHYDRO-6,10-DIHYDROXY-11-METHOXY-3,3,12-TRIMETHYL-7H-PYRANO(2,3-C)ACRIDIN-7-ONE
    • 81525-61-3

  • Applications

    Citracridone I (CAS 81525-61-3) is an organic pigment commonly used as a colorant in coatings and printing inks, providing stable coloration and good lightfastness. It can also function as a pigment intermediate in the synthesis of additional dyes and colorants, and is used to color polymer formulations for plastics and resins. Depending on local regulations, it may be used as a pigment in cosmetics/personal care formulations, and it is sometimes added to adhesives and sealants for color indication or branding; all applications are subject to regulatory constraints and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.78
    methanol 2.31
    isopropanol 1.69
    water 0.01
    ethyl acetate 7.09
    n-propanol 2.2
    acetone 8.54
    n-butanol 2.29
    acetonitrile 5.75
    DMF 27.07
    toluene 1.34
    isobutanol 2.28
    1,4-dioxane 9.46
    methyl acetate 8.48
    THF 27.66
    2-butanone 9.5
    n-pentanol 2.7
    sec-butanol 1.67
    n-hexane 0.12
    ethylene glycol 2.29
    NMP 43.19
    cyclohexane 0.16
    DMSO 40.21
    n-butyl acetate 9.76
    n-octanol 2.72
    chloroform 14.24
    n-propyl acetate 7.97
    acetic acid 13.27
    dichloromethane 13.07
    cyclohexanone 18.73
    propylene glycol 1.52
    isopropyl acetate 5.76
    DMAc 47.61
    2-ethoxyethanol 9.59
    isopentanol 3.23
    n-heptane 0.15
    ethyl formate 6.41
    1,2-dichloroethane 10.42
    n-hexanol 3.66
    2-methoxyethanol 15.38
    isobutyl acetate 7.45
    tetrachloromethane 1.66
    n-pentyl acetate 8.24
    transcutol 17.18
    n-heptanol 3.48
    ethylbenzene 1.18
    MIBK 6.81
    2-propoxyethanol 19.95
    tert-butanol 3.11
    MTBE 2.08
    2-butoxyethanol 12.99
    propionic acid 5.94
    o-xylene 1.28
    formic acid 7.9
    diethyl ether 2.09
    m-xylene 1.49
    p-xylene 2.03
    chlorobenzene 3.32
    dimethyl carbonate 11.01
    n-octane 0.13
    formamide 10.34
    cyclopentanone 28.59
    2-pentanone 7.72
    anisole 3.49
    cyclopentyl methyl ether 6.44
    gamma-butyrolactone 33.78
    1-methoxy-2-propanol 11.32
    pyridine 9.85
    3-pentanone 6.95
    furfural 24.99
    n-dodecane 0.19
    diethylene glycol 21.31
    diisopropyl ether 0.95
    tert-amyl alcohol 2.7
    acetylacetone 12.99
    n-hexadecane 0.23
    acetophenone 8.11
    methyl propionate 9.87
    isopentyl acetate 10.6
    trichloroethylene 23.67
    n-nonanol 3.14
    cyclohexanol 3.47
    benzyl alcohol 5.37
    2-ethylhexanol 3.55
    isooctanol 3.46
    dipropyl ether 3.07
    1,2-dichlorobenzene 4.56
    ethyl lactate 8.08
    propylene carbonate 16.19
    n-methylformamide 10.26
    2-pentanol 1.51
    n-pentane 0.08
    1-propoxy-2-propanol 12.86
    1-methoxy-2-propyl acetate 15.5
    2-(2-methoxypropoxy) propanol 13.22
    mesitylene 0.99
    ε-caprolactone 17.33
    p-cymene 2.05
    epichlorohydrin 31.72
    1,1,1-trichloroethane 7.43
    2-aminoethanol 2.69
    morpholine-4-carbaldehyde 34.51
    sulfolane 55.45
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 9.19
    n-hexyl acetate 7.71
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 14.26
    sec-butyl acetate 5.66
    tert-butyl acetate 6.89
    decalin 0.25
    glycerin 6.94
    diglyme 24.01
    acrylic acid 8.62
    isopropyl myristate 4.08
    n-butyric acid 7.96
    acetyl acetate 6.74
    di(2-ethylhexyl) phthalate 7.4
    ethyl propionate 7.45
    nitromethane 28.74
    1,2-diethoxyethane 6.96
    benzonitrile 8.0
    trioctyl phosphate 5.62
    1-bromopropane 3.32
    gamma-valerolactone 39.22
    n-decanol 2.51
    triethyl phosphate 7.48
    4-methyl-2-pentanol 1.86
    propionitrile 6.14
    vinylene carbonate 15.77
    1,1,2-trichlorotrifluoroethane 33.75
    DMS 12.57
    cumene 1.27
    2-octanol 2.21
    2-hexanone 8.0
    octyl acetate 5.43
    limonene 2.51
    1,2-dimethoxyethane 17.14
    ethyl orthosilicate 6.35
    tributyl phosphate 6.43
    diacetone alcohol 12.09
    N,N-dimethylaniline 3.57
    acrylonitrile 10.67
    aniline 3.44
    1,3-propanediol 5.12
    bromobenzene 2.97
    dibromomethane 7.05
    1,1,2,2-tetrachloroethane 17.74
    2-methyl-cyclohexyl acetate 9.39
    tetrabutyl urea 9.27
    diisobutyl methanol 2.5
    2-phenylethanol 8.04
    styrene 1.21
    dioctyl adipate 7.3
    dimethyl sulfate 24.97
    ethyl butyrate 7.81
    methyl lactate 10.93
    butyl lactate 8.78
    diethyl carbonate 6.74
    propanediol butyl ether 8.41
    triethyl orthoformate 7.17
    p-tert-butyltoluene 1.74
    methyl 4-tert-butylbenzoate 11.6
    morpholine 11.79
    tert-butylamine 1.18
    n-dodecanol 2.0
    dimethoxymethane 17.13
    ethylene carbonate 13.76
    cyrene 19.42
    2-ethoxyethyl acetate 13.2
    2-ethylhexyl acetate 8.76
    1,2,4-trichlorobenzene 7.02
    4-methylpyridine 8.37
    dibutyl ether 2.67
    2,6-dimethyl-4-heptanol 2.5
    DEF 12.76
    dimethyl isosorbide 25.39
    tetrachloroethylene 11.51
    eugenol 12.64
    triacetin 12.27
    span 80 9.35
    1,4-butanediol 2.69
    1,1-dichloroethane 6.17
    2-methyl-1-pentanol 3.55
    methyl formate 10.62
    2-methyl-1-butanol 2.75
    n-decane 0.27
    butyronitrile 5.1
    3,7-dimethyl-1-octanol 3.09
    1-chlorooctane 1.45
    1-chlorotetradecane 0.83
    n-nonane 0.2
    undecane 0.23
    tert-butylcyclohexane 0.2
    cyclooctane 0.08
    cyclopentanol 4.61
    tetrahydropyran 5.68
    tert-amyl methyl ether 2.38
    2,5,8-trioxanonane 19.95
    1-hexene 0.61
    2-isopropoxyethanol 8.35
    2,2,2-trifluoroethanol 9.31
    methyl butyrate 9.73

    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