Ruberythric acid

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  • Identifiers

    CAS number
    152-84-1

    Molecular formula
    C25H26O13

    SMILES
    C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)O)O)O)O)O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 69.9%
    Sweet 34.71%
    Vanilla 31.8%
    Spicy 23.11%
    Phenolic 22.28%
    Balsamic 20.37%
    Milky 20.1%
    Burnt 19.57%
    Caramellic 18.6%
    Savory 18.54%

     

    Flavor
    Bitter 85.76%
    Bland 30.92%
    Odorless 28.79%
    Sweet-like 25.68%
    Cedarleaf 19.66%
    Very mild 18.92%
    Lovage 18.82%
    Parsley 18.66%
    Nitrile 18.4%
    Fenugreek 18.21%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.2

    pKa est.
    5.92 (weak acid)

    Molecular weight
    534.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4677°C

    Flash point

    • 292.18 ˚C est.

  • Synonyms

    • Ruberythric acid
    • Rubianic acid
    • 152-84-1
    • 4360A2Y7JD
    • 1-hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione
    • 1-hydroxy-2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxymethyl)oxan-2-yl)oxyanthracene-9,10-dione
    • RefChem:180162
    • 205-808-9
    • Alizarinprimeveroside
    • Alizarin primeveroside
    • RUBIAN
    • Rubierythric acid
    • 1-Hydroxy-2-[(6-o-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]anthraquinone
    • 1-Hydroxy-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)anthracene-9,10-dione
    • 1-Hydroxy-2-((6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy)anthraquinone
    • CCRIS 4531
    • EINECS 205-808-9
    • BRN 0071586
    • beta-2-alizarin primeveroside
    • UNII-4360A2Y7JD
    • RUBERYTHRINIC ACID
    • beta-D-1-Hydroxy-2-anthraquinonyl 6-O-beta-D-xylopyranosylglucopyranoside
    • RUBERYTHRIC ACID [MI]
    • orb1991085
    • SCHEMBL2135802
    • SCHEMBL30203363
    • DTXSID701026553
    • AKOS040735719
    • FR66249
    • Glucopyranoside, 1-hydroxy-2-anthraquinonyl 6-O-beta-D-xylopyranosyl-, beta-D-
    • NS00041336
    • Q733425
    • Ruberythric acid (Alizarin-2-beta-D-primeveroside)
    • 1-HYDROXY-2-ANTHRAQUINONYL 6-O-.BETA.-D-XYLOPYRANOSYL-.BETA.-D-GLUCOPYRANOSIDE
    • 152-84-1

  • Applications

    Ruberythric acid (CAS 152-84-1) primarily serves as an intermediate in the synthesis of anthraquinone-based dyes and pigments. It is employed in dyeing and pigment production for textiles, coatings, and inks, typically as a colorant precursor or building block. In plastics and polymer formulations, it may be used as a colorant precursor for masterbatches and color concentrates. It can also function as a chelating agent in cleaners and industrial formulations, helping to sequester metal ions. In research and development, Ruberythric acid is used to prepare diversified anthraquinone derivatives; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.09
    methanol 11.76
    isopropanol 3.66
    water 1.03
    ethyl acetate 2.03
    n-propanol 4.84
    acetone 7.56
    n-butanol 2.68
    acetonitrile 2.11
    DMF 40.64
    toluene 0.52
    isobutanol 1.42
    1,4-dioxane 11.64
    methyl acetate 2.94
    THF 24.99
    2-butanone 4.58
    n-pentanol 1.26
    sec-butanol 2.35
    n-hexane 0.02
    ethylene glycol 19.19
    NMP 28.72
    cyclohexane 0.07
    DMSO 83.78
    n-butyl acetate 0.43
    n-octanol 1.43
    chloroform 0.39
    n-propyl acetate 0.57
    acetic acid 26.5
    dichloromethane 0.55
    cyclohexanone 4.76
    propylene glycol 16.23
    isopropyl acetate 1.01
    DMAc 41.01
    2-ethoxyethanol 17.88
    isopentanol 1.07
    n-heptane 0.08
    ethyl formate 2.56
    1,2-dichloroethane 0.6
    n-hexanol 0.65
    2-methoxyethanol 46.93
    isobutyl acetate 0.2
    tetrachloromethane 0.1
    n-pentyl acetate 1.29
    transcutol 20.44
    n-heptanol 1.42
    ethylbenzene 0.14
    MIBK 0.87
    2-propoxyethanol 8.92
    tert-butanol 1.67
    MTBE 0.7
    2-butoxyethanol 6.91
    propionic acid 6.12
    o-xylene 0.31
    formic acid 43.21
    diethyl ether 1.83
    m-xylene 0.27
    p-xylene 0.13
    chlorobenzene 0.16
    dimethyl carbonate 4.93
    n-octane 0.07
    formamide 43.23
    cyclopentanone 11.05
    2-pentanone 3.04
    anisole 0.63
    cyclopentyl methyl ether 3.05
    gamma-butyrolactone 13.15
    1-methoxy-2-propanol 24.24
    pyridine 4.85
    3-pentanone 1.92
    furfural 9.23
    n-dodecane 0.05
    diethylene glycol 16.46
    diisopropyl ether 0.21
    tert-amyl alcohol 1.27
    acetylacetone 5.86
    n-hexadecane 0.06
    acetophenone 0.91
    methyl propionate 4.05
    isopentyl acetate 0.29
    trichloroethylene 1.03
    n-nonanol 1.43
    cyclohexanol 1.77
    benzyl alcohol 1.67
    2-ethylhexanol 0.3
    isooctanol 0.75
    dipropyl ether 0.93
    1,2-dichlorobenzene 0.12
    ethyl lactate 1.99
    propylene carbonate 2.37
    n-methylformamide 20.15
    2-pentanol 1.22
    n-pentane 0.05
    1-propoxy-2-propanol 4.68
    1-methoxy-2-propyl acetate 2.07
    2-(2-methoxypropoxy) propanol 4.65
    mesitylene 0.13
    ε-caprolactone 4.67
    p-cymene 0.12
    epichlorohydrin 7.59
    1,1,1-trichloroethane 0.16
    2-aminoethanol 16.38
    morpholine-4-carbaldehyde 35.52
    sulfolane 23.2
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 4.26
    n-hexyl acetate 1.41
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 8.55
    sec-butyl acetate 0.31
    tert-butyl acetate 0.88
    decalin 0.02
    glycerin 40.71
    diglyme 14.43
    acrylic acid 10.42
    isopropyl myristate 0.44
    n-butyric acid 4.37
    acetyl acetate 1.41
    di(2-ethylhexyl) phthalate 0.62
    ethyl propionate 0.71
    nitromethane 30.12
    1,2-diethoxyethane 2.67
    benzonitrile 0.6
    trioctyl phosphate 0.61
    1-bromopropane 0.25
    gamma-valerolactone 28.98
    n-decanol 0.95
    triethyl phosphate 0.38
    4-methyl-2-pentanol 0.39
    propionitrile 1.23
    vinylene carbonate 2.63
    1,1,2-trichlorotrifluoroethane 14.03
    DMS 1.45
    cumene 0.07
    2-octanol 0.88
    2-hexanone 0.77
    octyl acetate 0.91
    limonene 0.21
    1,2-dimethoxyethane 10.67
    ethyl orthosilicate 0.36
    tributyl phosphate 0.44
    diacetone alcohol 4.42
    N,N-dimethylaniline 0.55
    acrylonitrile 2.55
    aniline 1.69
    1,3-propanediol 18.22
    bromobenzene 0.1
    dibromomethane 0.25
    1,1,2,2-tetrachloroethane 0.96
    2-methyl-cyclohexyl acetate 0.35
    tetrabutyl urea 1.16
    diisobutyl methanol 0.22
    2-phenylethanol 0.93
    styrene 0.16
    dioctyl adipate 0.93
    dimethyl sulfate 9.33
    ethyl butyrate 0.52
    methyl lactate 10.16
    butyl lactate 2.22
    diethyl carbonate 0.33
    propanediol butyl ether 8.96
    triethyl orthoformate 0.66
    p-tert-butyltoluene 0.12
    methyl 4-tert-butylbenzoate 1.97
    morpholine 18.34
    tert-butylamine 0.41
    n-dodecanol 0.6
    dimethoxymethane 20.38
    ethylene carbonate 2.02
    cyrene 6.81
    2-ethoxyethyl acetate 3.13
    2-ethylhexyl acetate 0.21
    1,2,4-trichlorobenzene 0.23
    4-methylpyridine 2.28
    dibutyl ether 0.75
    2,6-dimethyl-4-heptanol 0.22
    DEF 6.16
    dimethyl isosorbide 4.86
    tetrachloroethylene 0.76
    eugenol 2.44
    triacetin 2.66
    span 80 4.75
    1,4-butanediol 5.81
    1,1-dichloroethane 0.27
    2-methyl-1-pentanol 0.55
    methyl formate 14.19
    2-methyl-1-butanol 1.16
    n-decane 0.11
    butyronitrile 0.95
    3,7-dimethyl-1-octanol 0.49
    1-chlorooctane 0.29
    1-chlorotetradecane 0.1
    n-nonane 0.09
    undecane 0.07
    tert-butylcyclohexane 0.01
    cyclooctane 0.04
    cyclopentanol 3.56
    tetrahydropyran 4.22
    tert-amyl methyl ether 0.81
    2,5,8-trioxanonane 9.87
    1-hexene 0.09
    2-isopropoxyethanol 5.76
    2,2,2-trifluoroethanol 10.18
    methyl butyrate 0.96

    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