7-Hexopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1219145-87-5

    Molecular formula
    C22H20O13

    SMILES
    CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)C4C(C(C(C(O4)CO)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 78.71%
    Phenolic 27.49%
    Vanilla 20.38%
    Burnt 20.2%
    Milky 19.88%
    Bitter 19.43%
    Balsamic 19.09%
    Sweet 18.94%
    Savory 17.2%
    Clean 16.53%

     

    Flavor
    Bitter 83.16%
    Odorless 41.98%
    Bland 30.22%
    Sweet-like 24.09%
    Very mild 21.79%
    Mild 20.45%
    Cedarleaf 20.1%
    Nitrile 19.47%
    Parsley 19.15%
    Lovage 19.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.5

    pKa est.
    4.67 (weak acid)

    Molecular weight
    492.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5385°C

    Melting point expt.

    • 136 °C

    Flash point

    • 371.32 ˚C est.

    Solubility expt.

    • 1.3 mg/mL at 25 °C

  • Synonyms

    • DTXSID20859613
    • 1219145-87-5
    • 7-Hexopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid
    • RefChem:1074432
    • DTXCID00209218
    • Cochineal (dye)
    • 1343-78-8
    • 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid
    • Carmine Red
    • C22H20O13
    • Alum lake of carminic acid
    • CARMINE (ALUM LAKE)
    • C ochineal
    • NSC326224
    • SCHEMBL341505
    • SCHEMBL29728623
    • SCHEMBL31079636
    • FEMA 2330
    • MSK2469
    • DGQLVPJVXFOQEV-UHFFFAOYSA-N
    • HMS3346I22
    • 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9,10-dihydroanthracene-2-carboxylic acid
    • MC64838
    • 3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]anthracene-2-carboxylic acid
    • DA-62071
    • NS00007229
    • 2-Anthracenecarboxylic acid,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-
    • 7-Glucopyranosyl-3,4,5,8-tetrahydroxy-1-methylanthraquinone-2-carboxylic acid
    • 1,5-anhydro-1-(7-carboxy-1,3,4,6-tetrahydroxy-8-methyl-9,10-dioxo-9,10-dihydroanthracen-2-yl)hexitol
    • 1-Anthroic acid,10-dihydro-2,5,7,8-tetrahydroxy-4-methyl-9,10-dioxo-6-(2,3,4,5-tetrahydroxyhexanoyl)-
    • 1343-78-8

  • Applications

    7-Hexopyranosyl-9,10-dihydro-3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid (CAS 1219145-87-5) may have several practical applications across industries: as a pharmaceutical synthesis intermediate; as a dye or pigment precursor for inks, coatings, and textiles; as a colorant or cosmetic ingredient in personal care products; as a research reagent for fluorescence or optical materials development; and as a chelating/metal-binding component in formulated polymer or other chemical systems. The multiple hydroxy groups and the glycosyl moiety can support these roles, but actual use will depend on local regulations, formulation limits, and safety assessments.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 32.43
    methanol 43.66
    isopropanol 9.13
    water 0.43
    ethyl acetate 2.98
    n-propanol 14.19
    acetone 12.37
    n-butanol 4.44
    acetonitrile 2.94
    DMF 91.28
    toluene 0.36
    isobutanol 2.91
    1,4-dioxane 15.28
    methyl acetate 4.75
    THF 39.36
    2-butanone 8.19
    n-pentanol 2.21
    sec-butanol 3.85
    n-hexane 0.07
    ethylene glycol 52.05
    NMP 73.17
    cyclohexane 0.13
    DMSO 201.18
    n-butyl acetate 0.94
    n-octanol 1.01
    chloroform 0.35
    n-propyl acetate 1.28
    acetic acid 39.74
    dichloromethane 0.59
    cyclohexanone 6.59
    propylene glycol 35.01
    isopropyl acetate 1.05
    DMAc 67.22
    2-ethoxyethanol 32.31
    isopentanol 1.35
    n-heptane 0.09
    ethyl formate 4.16
    1,2-dichloroethane 0.94
    n-hexanol 1.27
    2-methoxyethanol 101.0
    isobutyl acetate 0.25
    tetrachloromethane 0.12
    n-pentyl acetate 1.06
    transcutol 11.65
    n-heptanol 1.36
    ethylbenzene 0.15
    MIBK 0.88
    2-propoxyethanol 18.48
    tert-butanol 3.11
    MTBE 0.64
    2-butoxyethanol 7.87
    propionic acid 10.18
    o-xylene 0.23
    formic acid 87.97
    diethyl ether 2.88
    m-xylene 0.18
    p-xylene 0.14
    chlorobenzene 0.11
    dimethyl carbonate 6.13
    n-octane 0.06
    formamide 100.16
    cyclopentanone 18.19
    2-pentanone 3.93
    anisole 0.56
    cyclopentyl methyl ether 3.49
    gamma-butyrolactone 23.34
    1-methoxy-2-propanol 43.55
    pyridine 6.76
    3-pentanone 2.67
    furfural 11.46
    n-dodecane 0.04
    diethylene glycol 32.05
    diisopropyl ether 0.21
    tert-amyl alcohol 1.79
    acetylacetone 4.97
    n-hexadecane 0.04
    acetophenone 0.92
    methyl propionate 6.39
    isopentyl acetate 0.42
    trichloroethylene 1.05
    n-nonanol 1.03
    cyclohexanol 1.92
    benzyl alcohol 1.31
    2-ethylhexanol 0.4
    isooctanol 0.64
    dipropyl ether 1.5
    1,2-dichlorobenzene 0.09
    ethyl lactate 3.08
    propylene carbonate 3.22
    n-methylformamide 53.88
    2-pentanol 1.5
    n-pentane 0.1
    1-propoxy-2-propanol 7.31
    1-methoxy-2-propyl acetate 2.91
    2-(2-methoxypropoxy) propanol 4.19
    mesitylene 0.09
    ε-caprolactone 5.79
    p-cymene 0.1
    epichlorohydrin 13.4
    1,1,1-trichloroethane 0.14
    2-aminoethanol 48.26
    morpholine-4-carbaldehyde 52.69
    sulfolane 47.7
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 5.98
    n-hexyl acetate 1.01
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 7.47
    sec-butyl acetate 0.39
    tert-butyl acetate 0.82
    decalin 0.03
    glycerin 77.65
    diglyme 11.89
    acrylic acid 13.96
    isopropyl myristate 0.34
    n-butyric acid 5.22
    acetyl acetate 1.09
    di(2-ethylhexyl) phthalate 0.49
    ethyl propionate 1.42
    nitromethane 40.85
    1,2-diethoxyethane 2.05
    benzonitrile 0.47
    trioctyl phosphate 0.61
    1-bromopropane 0.47
    gamma-valerolactone 40.28
    n-decanol 0.71
    triethyl phosphate 0.61
    4-methyl-2-pentanol 0.4
    propionitrile 2.29
    vinylene carbonate 3.17
    1,1,2-trichlorotrifluoroethane 19.25
    DMS 1.43
    cumene 0.07
    2-octanol 0.66
    2-hexanone 1.54
    octyl acetate 0.72
    limonene 0.17
    1,2-dimethoxyethane 19.26
    ethyl orthosilicate 0.5
    tributyl phosphate 0.45
    diacetone alcohol 5.5
    N,N-dimethylaniline 0.55
    acrylonitrile 4.43
    aniline 1.25
    1,3-propanediol 37.24
    bromobenzene 0.07
    dibromomethane 0.35
    1,1,2,2-tetrachloroethane 1.0
    2-methyl-cyclohexyl acetate 0.49
    tetrabutyl urea 1.21
    diisobutyl methanol 0.2
    2-phenylethanol 0.98
    styrene 0.15
    dioctyl adipate 0.78
    dimethyl sulfate 12.74
    ethyl butyrate 0.92
    methyl lactate 15.55
    butyl lactate 2.19
    diethyl carbonate 0.57
    propanediol butyl ether 6.96
    triethyl orthoformate 0.87
    p-tert-butyltoluene 0.09
    methyl 4-tert-butylbenzoate 1.42
    morpholine 29.82
    tert-butylamine 0.7
    n-dodecanol 0.45
    dimethoxymethane 39.14
    ethylene carbonate 2.55
    cyrene 8.85
    2-ethoxyethyl acetate 2.51
    2-ethylhexyl acetate 0.33
    1,2,4-trichlorobenzene 0.17
    4-methylpyridine 2.06
    dibutyl ether 0.57
    2,6-dimethyl-4-heptanol 0.2
    DEF 8.33
    dimethyl isosorbide 5.69
    tetrachloroethylene 1.02
    eugenol 2.15
    triacetin 1.77
    span 80 4.09
    1,4-butanediol 9.94
    1,1-dichloroethane 0.29
    2-methyl-1-pentanol 0.71
    methyl formate 29.1
    2-methyl-1-butanol 1.54
    n-decane 0.08
    butyronitrile 1.24
    3,7-dimethyl-1-octanol 0.32
    1-chlorooctane 0.21
    1-chlorotetradecane 0.08
    n-nonane 0.07
    undecane 0.05
    tert-butylcyclohexane 0.01
    cyclooctane 0.05
    cyclopentanol 5.66
    tetrahydropyran 5.69
    tert-amyl methyl ether 0.72
    2,5,8-trioxanonane 8.56
    1-hexene 0.25
    2-isopropoxyethanol 8.0
    2,2,2-trifluoroethanol 12.88
    methyl butyrate 1.93

    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