Rubiadin 1-methyl ether

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  • Identifiers

    CAS number
    7460-43-7

    Molecular formula
    C16H12O4

    SMILES
    CC1=C(C=C2C(=C1OC)C(=O)C3=CC=CC=C3C2=O)O

    Safety labels

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Phenolic 53.64%
    Sweet 49.8%
    Spicy 36.09%
    Odorless 33.19%
    Vanilla 31.32%
    Burnt 29.49%
    Powdery 29.27%
    Balsamic 27.91%
    Bitter 26.96%
    Dry 25.86%

     

    Flavor
    Bitter 92.79%
    Odorless 20.5%
    Lovage 19.94%
    Cedarleaf 19.2%
    Parsley 18.83%
    Nitrile 18.75%
    Sweet-like 18.51%
    Very strong 18.4%
    Indole 18.19%
    Ripe apricot 18.07%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.85 (neutral)

    Molecular weight
    268.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    643°C

    Flash point

    • 224.8 ˚C est.

  • Synonyms

    • Rubiadin 1-methyl ether
    • 7460-43-7
    • 3-hydroxy-1-methoxy-2-methylanthracene-9,10-dione
    • MK2IXH6AUE
    • NSC-59063
    • DTXSID80225572
    • 9,10-Anthracenedione, 3-hydroxy-1-methoxy-2-methyl-
    • RefChem:883929
    • DTXCID10148063
    • Rubiadin-1-methyl ether
    • 3-Hydroxy-1-methoxy-2-methylanthraquinone
    • 3-Hydroxy-1-methoxy-2-methyl-anthraquinone
    • MFCD12031637
    • 3-hydroxy-1-methoxy-2-methyl-anthracene-9,10-dione
    • NSC 59063
    • rubiadin-1-methylether
    • UNII-MK2IXH6AUE
    • NCIOpen2_002551
    • orb1303033
    • CHEMBL3921530
    • SCHEMBL16227041
    • HY-N1956
    • NSC59063
    • 3-HYDROXY-1-METHOXY-2-METHYL-9,10-DIHYDROANTHRACENE-9,10-DIONE
    • AKOS015897180
    • EBC-518579
    • AC-34253
    • MS-23789
    • 1-Methoxy-2-methyl-3-hydroxy-anthrachinon
    • CS-0018274
    • F17682
    • 460R437
    • AO-229/21213030
    • ANTHRAQUINONE, 3-HYDROXY-1-METHOXY-2-METHYL-
    • 3-HYDROXY-1-METHOXY-2-METHYL-9,10-ANTHRACENEDIONE
    • 7460-43-7

  • Applications

    Rubiadin 1-methyl ether is primarily used as an intermediate in the synthesis of anthraquinone-based dyes and pigments, enabling access to colorants for coatings, inks, and plastics. It can serve as a precursor for the preparation of functionalized derivatives used in specialty pigment formulations and may be incorporated into cosmetic colorants under appropriate regulatory control. In polymer formulations, the compound has been considered as a UV-absorbing additive or light-stabilizing agent after suitable modification, though such use requires careful regulatory compliance. Overall, its applications are mainly in chemical synthesis and formulation development for colorant products, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.31
    methanol 0.27
    isopropanol 0.27
    water 0.0
    ethyl acetate 3.36
    n-propanol 0.33
    acetone 2.69
    n-butanol 0.35
    acetonitrile 1.27
    DMF 12.82
    toluene 4.06
    isobutanol 0.33
    1,4-dioxane 7.99
    methyl acetate 4.24
    THF 13.04
    2-butanone 3.53
    n-pentanol 0.45
    sec-butanol 0.25
    n-hexane 0.04
    ethylene glycol 0.46
    NMP 25.98
    cyclohexane 0.11
    DMSO 7.28
    n-butyl acetate 5.97
    n-octanol 1.07
    chloroform 8.78
    n-propyl acetate 3.99
    acetic acid 2.86
    dichloromethane 8.58
    cyclohexanone 11.46
    propylene glycol 0.21
    isopropyl acetate 4.39
    DMAc 29.36
    2-ethoxyethanol 2.4
    isopentanol 0.74
    n-heptane 0.07
    ethyl formate 1.76
    1,2-dichloroethane 7.7
    n-hexanol 1.16
    2-methoxyethanol 3.65
    isobutyl acetate 4.05
    tetrachloromethane 1.25
    n-pentyl acetate 5.41
    transcutol 7.95
    n-heptanol 1.68
    ethylbenzene 2.94
    MIBK 4.16
    2-propoxyethanol 6.66
    tert-butanol 1.09
    MTBE 1.34
    2-butoxyethanol 5.65
    propionic acid 1.56
    o-xylene 4.05
    formic acid 1.48
    diethyl ether 0.89
    m-xylene 3.31
    p-xylene 4.23
    chlorobenzene 4.5
    dimethyl carbonate 9.15
    n-octane 0.08
    formamide 3.67
    cyclopentanone 15.0
    2-pentanone 2.75
    anisole 7.13
    cyclopentyl methyl ether 4.5
    gamma-butyrolactone 17.3
    1-methoxy-2-propanol 2.68
    pyridine 12.21
    3-pentanone 3.71
    furfural 20.55
    n-dodecane 0.13
    diethylene glycol 7.02
    diisopropyl ether 0.79
    tert-amyl alcohol 0.85
    acetylacetone 9.83
    n-hexadecane 0.16
    acetophenone 11.15
    methyl propionate 4.39
    isopentyl acetate 8.54
    trichloroethylene 21.57
    n-nonanol 1.47
    cyclohexanol 1.01
    benzyl alcohol 4.35
    2-ethylhexanol 1.78
    isooctanol 1.91
    dipropyl ether 2.03
    1,2-dichlorobenzene 7.45
    ethyl lactate 3.35
    propylene carbonate 9.06
    n-methylformamide 2.92
    2-pentanol 0.3
    n-pentane 0.02
    1-propoxy-2-propanol 4.4
    1-methoxy-2-propyl acetate 12.64
    2-(2-methoxypropoxy) propanol 8.02
    mesitylene 2.41
    ε-caprolactone 9.94
    p-cymene 3.5
    epichlorohydrin 16.74
    1,1,1-trichloroethane 6.17
    2-aminoethanol 0.49
    morpholine-4-carbaldehyde 23.64
    sulfolane 25.77
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 4.48
    n-hexyl acetate 5.35
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 6.84
    sec-butyl acetate 4.08
    tert-butyl acetate 8.01
    decalin 0.35
    glycerin 1.48
    diglyme 17.91
    acrylic acid 2.88
    isopropyl myristate 3.45
    n-butyric acid 2.05
    acetyl acetate 6.06
    di(2-ethylhexyl) phthalate 5.14
    ethyl propionate 4.92
    nitromethane 9.73
    1,2-diethoxyethane 4.59
    benzonitrile 6.45
    trioctyl phosphate 3.32
    1-bromopropane 1.41
    gamma-valerolactone 21.23
    n-decanol 1.19
    triethyl phosphate 7.49
    4-methyl-2-pentanol 0.68
    propionitrile 1.81
    vinylene carbonate 10.97
    1,1,2-trichlorotrifluoroethane 15.38
    DMS 12.57
    cumene 2.51
    2-octanol 1.06
    2-hexanone 3.62
    octyl acetate 3.65
    limonene 3.12
    1,2-dimethoxyethane 9.21
    ethyl orthosilicate 6.7
    tributyl phosphate 3.74
    diacetone alcohol 7.9
    N,N-dimethylaniline 6.72
    acrylonitrile 4.41
    aniline 4.04
    1,3-propanediol 1.09
    bromobenzene 5.09
    dibromomethane 3.78
    1,1,2,2-tetrachloroethane 14.1
    2-methyl-cyclohexyl acetate 8.7
    tetrabutyl urea 6.49
    diisobutyl methanol 1.97
    2-phenylethanol 7.57
    styrene 3.06
    dioctyl adipate 5.66
    dimethyl sulfate 19.87
    ethyl butyrate 5.91
    methyl lactate 4.11
    butyl lactate 4.09
    diethyl carbonate 6.19
    propanediol butyl ether 2.65
    triethyl orthoformate 6.64
    p-tert-butyltoluene 3.15
    methyl 4-tert-butylbenzoate 12.19
    morpholine 5.96
    tert-butylamine 0.6
    n-dodecanol 0.99
    dimethoxymethane 8.61
    ethylene carbonate 7.79
    cyrene 11.7
    2-ethoxyethyl acetate 8.98
    2-ethylhexyl acetate 7.76
    1,2,4-trichlorobenzene 10.86
    4-methylpyridine 8.82
    dibutyl ether 1.88
    2,6-dimethyl-4-heptanol 1.97
    DEF 7.19
    dimethyl isosorbide 21.58
    tetrachloroethylene 11.26
    eugenol 11.49
    triacetin 8.49
    span 80 4.93
    1,4-butanediol 0.47
    1,1-dichloroethane 2.77
    2-methyl-1-pentanol 0.97
    methyl formate 3.24
    2-methyl-1-butanol 0.53
    n-decane 0.19
    butyronitrile 1.16
    3,7-dimethyl-1-octanol 1.69
    1-chlorooctane 1.09
    1-chlorotetradecane 0.63
    n-nonane 0.12
    undecane 0.15
    tert-butylcyclohexane 0.29
    cyclooctane 0.07
    cyclopentanol 1.08
    tetrahydropyran 3.2
    tert-amyl methyl ether 1.69
    2,5,8-trioxanonane 14.58
    1-hexene 0.27
    2-isopropoxyethanol 2.42
    2,2,2-trifluoroethanol 3.15
    methyl butyrate 5.16

    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