Guaiacum Blue

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  • Identifiers

    CAS number
    10039-58-4

    Molecular formula
    C20H18O5

    SMILES
    CC\1=C(/C(=C/2\C=CC(=O)C(=C2)OC)/O/C1=C/3\C=CC(=O)C(=C3)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 61.96%
    Roasted 49.35%
    Burnt 44.89%
    Sweet 42.56%
    Nutty 31.98%
    Coffee 28.53%
    Spicy 24.93%
    Meaty 24.64%
    Fruity 24.58%
    Savory 24.1%

     

    Flavor
    Bitter 63.54%
    Lovage 20.24%
    Fenugreek 19.56%
    Basil 19.33%
    Seedy 19.3%
    Maple syrup 19.22%
    Taco 19.08%
    Extremely sweet 19.06%
    Cotton candy 18.94%
    Parsley 18.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    5.27 (weak acid)

    Molecular weight
    338.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    799°C

    Flash point

    • 212.39 ˚C est.

  • Synonyms

    • Guaiacum Blue
    • Furoguaiacin Blue
    • QS5C7E9070
    • 2,5-Cyclohexadien-1-one, 4,4'-(3,4-dimethyl-2,5-furandiylidene)bis(2-methoxy-
    • 10039-58-4
    • UNII-QS5C7E9070
    • Q27287466
    • (4Z)-2-methoxy-4-[(5E)-5-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3,4-dimethyl-2-furylidene]cyclohexa-2,5-dien-1-one
    • 9000-29-7
    • 9000-29-7

  • Applications

    Guaiacum Blue (CAS 10039-58-4) is a blue pigment/colorant derived from guaiac wood; in industrial use it provides blue hues in coatings, printing inks, and plastics, and it also appears as a historical/artist pigment in traditional paints and as a specialty colorant where natural pigments are preferred.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.42
    methanol 0.45
    isopropanol 0.51
    water 0.0
    ethyl acetate 8.51
    n-propanol 0.62
    acetone 5.12
    n-butanol 0.69
    acetonitrile 3.02
    DMF 16.13
    toluene 6.65
    isobutanol 0.65
    1,4-dioxane 13.24
    methyl acetate 8.45
    THF 21.06
    2-butanone 8.03
    n-pentanol 1.0
    sec-butanol 1.03
    n-hexane 0.4
    ethylene glycol 0.25
    NMP 30.09
    cyclohexane 0.57
    DMSO 8.33
    n-butyl acetate 5.85
    n-octanol 0.59
    chloroform 54.76
    n-propyl acetate 6.28
    acetic acid 3.35
    dichloromethane 52.01
    cyclohexanone 14.03
    propylene glycol 0.28
    isopropyl acetate 7.69
    DMAc 40.39
    2-ethoxyethanol 5.38
    isopentanol 1.21
    n-heptane 0.26
    ethyl formate 2.45
    1,2-dichloroethane 21.68
    n-hexanol 1.14
    2-methoxyethanol 4.58
    isobutyl acetate 4.48
    tetrachloromethane 4.41
    n-pentyl acetate 4.15
    transcutol 13.38
    n-heptanol 1.03
    ethylbenzene 5.39
    MIBK 5.63
    2-propoxyethanol 7.81
    tert-butanol 1.35
    MTBE 5.13
    2-butoxyethanol 4.7
    propionic acid 2.65
    o-xylene 6.5
    formic acid 1.38
    diethyl ether 5.15
    m-xylene 4.57
    p-xylene 7.1
    chlorobenzene 8.42
    dimethyl carbonate 12.08
    n-octane 0.14
    formamide 4.04
    cyclopentanone 19.83
    2-pentanone 5.75
    anisole 12.68
    cyclopentyl methyl ether 11.13
    gamma-butyrolactone 25.26
    1-methoxy-2-propanol 4.72
    pyridine 17.15
    3-pentanone 9.61
    furfural 23.88
    n-dodecane 0.1
    diethylene glycol 4.38
    diisopropyl ether 2.7
    tert-amyl alcohol 2.34
    acetylacetone 15.43
    n-hexadecane 0.13
    acetophenone 14.56
    methyl propionate 10.28
    isopentyl acetate 7.31
    trichloroethylene 70.93
    n-nonanol 0.82
    cyclohexanol 2.16
    benzyl alcohol 5.63
    2-ethylhexanol 1.59
    isooctanol 1.22
    dipropyl ether 4.47
    1,2-dichlorobenzene 13.17
    ethyl lactate 4.1
    propylene carbonate 10.38
    n-methylformamide 4.06
    2-pentanol 0.98
    n-pentane 0.22
    1-propoxy-2-propanol 5.37
    1-methoxy-2-propyl acetate 14.02
    2-(2-methoxypropoxy) propanol 8.04
    mesitylene 3.02
    ε-caprolactone 14.35
    p-cymene 2.84
    epichlorohydrin 36.4
    1,1,1-trichloroethane 21.85
    2-aminoethanol 0.48
    morpholine-4-carbaldehyde 31.65
    sulfolane 30.89
    2,2,4-trimethylpentane 0.42
    2-methyltetrahydrofuran 11.81
    n-hexyl acetate 3.73
    isooctane 0.19
    2-(2-butoxyethoxy)ethanol 6.28
    sec-butyl acetate 6.65
    tert-butyl acetate 10.59
    decalin 0.8
    glycerin 1.17
    diglyme 21.4
    acrylic acid 3.67
    isopropyl myristate 2.2
    n-butyric acid 3.1
    acetyl acetate 9.91
    di(2-ethylhexyl) phthalate 3.19
    ethyl propionate 9.77
    nitromethane 16.05
    1,2-diethoxyethane 7.42
    benzonitrile 5.81
    trioctyl phosphate 1.43
    1-bromopropane 6.59
    gamma-valerolactone 28.94
    n-decanol 0.62
    triethyl phosphate 7.76
    4-methyl-2-pentanol 1.15
    propionitrile 3.18
    vinylene carbonate 10.86
    1,1,2-trichlorotrifluoroethane 26.82
    DMS 13.3
    cumene 3.55
    2-octanol 0.77
    2-hexanone 5.87
    octyl acetate 2.24
    limonene 3.22
    1,2-dimethoxyethane 16.98
    ethyl orthosilicate 7.55
    tributyl phosphate 2.21
    diacetone alcohol 8.03
    N,N-dimethylaniline 11.51
    acrylonitrile 6.0
    aniline 5.79
    1,3-propanediol 0.93
    bromobenzene 11.72
    dibromomethane 22.86
    1,1,2,2-tetrachloroethane 47.22
    2-methyl-cyclohexyl acetate 8.68
    tetrabutyl urea 3.97
    diisobutyl methanol 1.8
    2-phenylethanol 6.13
    styrene 6.03
    dioctyl adipate 4.68
    dimethyl sulfate 26.64
    ethyl butyrate 7.56
    methyl lactate 5.27
    butyl lactate 3.52
    diethyl carbonate 6.57
    propanediol butyl ether 2.06
    triethyl orthoformate 8.41
    p-tert-butyltoluene 2.78
    methyl 4-tert-butylbenzoate 11.97
    morpholine 11.85
    tert-butylamine 0.99
    n-dodecanol 0.49
    dimethoxymethane 15.6
    ethylene carbonate 7.73
    cyrene 13.04
    2-ethoxyethyl acetate 9.3
    2-ethylhexyl acetate 6.56
    1,2,4-trichlorobenzene 18.94
    4-methylpyridine 13.54
    dibutyl ether 2.24
    2,6-dimethyl-4-heptanol 1.8
    DEF 14.06
    dimethyl isosorbide 23.39
    tetrachloroethylene 28.09
    eugenol 10.39
    triacetin 10.03
    span 80 4.21
    1,4-butanediol 0.58
    1,1-dichloroethane 13.04
    2-methyl-1-pentanol 1.85
    methyl formate 4.18
    2-methyl-1-butanol 1.21
    n-decane 0.19
    butyronitrile 2.0
    3,7-dimethyl-1-octanol 1.03
    1-chlorooctane 0.88
    1-chlorotetradecane 0.43
    n-nonane 0.15
    undecane 0.14
    tert-butylcyclohexane 0.62
    cyclooctane 0.31
    cyclopentanol 1.98
    tetrahydropyran 7.52
    tert-amyl methyl ether 6.58
    2,5,8-trioxanonane 14.57
    1-hexene 1.44
    2-isopropoxyethanol 5.19
    2,2,2-trifluoroethanol 3.33
    methyl butyrate 8.84

    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