Aurantricholide B

Overview IFRA Request a quote

  • Identifiers

    CAS number
    264923-56-0

    Molecular formula
    C17H10O6

    SMILES
    C1=CC(=CC=C1C2=C3C(=CC4=CC(=C(C=C4O3)O)O)OC2=O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 59.86%
    Odorless 52.67%
    Burnt 39.33%
    Medicinal 25.86%
    Smoky 25.38%
    Spicy 22.52%
    Vanilla 22.22%
    Balsamic 22.1%
    Bitter 21.17%
    Savory 20.79%

     

    Flavor
    Bitter 96.1%
    Odorless 19.9%
    Sweet-like 19.87%
    Very strong 19.86%
    Indole 19.38%
    Cedarleaf 19.33%
    Nitrile 19.05%
    Lovage 18.69%
    Parsley 18.67%
    Rotten 18.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    9.37 (weak base)

    Molecular weight
    310.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    979°C

    Melting point expt.

    • 320 °C

    Flash point

    • 277.44 ˚C est.

  • Synonyms

    • Aurantricholide B
    • SCHEMBL31734814
    • CHEBI:174228
    • DTXSID201161801
    • 6,7-dihydroxy-3-(4-hydroxyphenyl)-2H-furo[3,2-b]chromen-2-one
    • 6,7-Dihydroxy-3-(4-hydroxyphenyl)-2H-furo[3,2-b][1]benzopyran-2-one
    • 264923-56-0
    • 6,7-dihydroxy-3-(4-hydroxyphenyl)uro[3,2-b]chromen-2-one
    • 6,7-Dihydroxy-3-(4-hydroxyphenyl)-2H-furo[3,2-b][1]benzopyran-2-one, 9CI
    • 264923-56-0

  • Applications

    Aurantricholide B (CAS 264923-56-0) may be used as an organic synthesis intermediate in the production of specialty chemicals; it may be employed as a solvent or co-solvent in niche formulations; it can act as a stabilizer or processing additive in polymers, coatings, and inks; it can function as a chelating/complexing agent in metal processing or catalytic contexts; and it serves as an analytical reagent or building block in laboratory synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 72.41
    methanol 55.25
    isopropanol 83.7
    water 0.18
    ethyl acetate 40.24
    n-propanol 84.03
    acetone 217.36
    n-butanol 64.24
    acetonitrile 24.07
    DMF 309.78
    toluene 4.29
    isobutanol 37.22
    1,4-dioxane 121.52
    methyl acetate 54.04
    THF 574.52
    2-butanone 171.67
    n-pentanol 30.5
    sec-butanol 76.38
    n-hexane 0.08
    ethylene glycol 59.67
    NMP 63.32
    cyclohexane 0.2
    DMSO 828.52
    n-butyl acetate 16.57
    n-octanol 11.54
    chloroform 0.51
    n-propyl acetate 24.28
    acetic acid 57.77
    dichloromethane 0.76
    cyclohexanone 90.31
    propylene glycol 56.45
    isopropyl acetate 33.1
    DMAc 347.74
    2-ethoxyethanol 156.02
    isopentanol 46.54
    n-heptane 0.22
    ethyl formate 28.77
    1,2-dichloroethane 3.71
    n-hexanol 17.19
    2-methoxyethanol 413.07
    isobutyl acetate 8.15
    tetrachloromethane 0.14
    n-pentyl acetate 18.1
    transcutol 169.73
    n-heptanol 12.82
    ethylbenzene 1.97
    MIBK 40.65
    2-propoxyethanol 106.65
    tert-butanol 88.91
    MTBE 32.78
    2-butoxyethanol 46.12
    propionic acid 42.24
    o-xylene 2.59
    formic acid 41.75
    diethyl ether 31.6
    m-xylene 2.23
    p-xylene 2.24
    chlorobenzene 1.24
    dimethyl carbonate 31.63
    n-octane 0.23
    formamide 129.07
    cyclopentanone 164.95
    2-pentanone 102.65
    anisole 13.12
    cyclopentyl methyl ether 42.64
    gamma-butyrolactone 110.18
    1-methoxy-2-propanol 235.16
    pyridine 49.38
    3-pentanone 45.82
    furfural 47.41
    n-dodecane 0.53
    diethylene glycol 127.19
    diisopropyl ether 4.45
    tert-amyl alcohol 63.98
    acetylacetone 98.8
    n-hexadecane 0.59
    acetophenone 18.13
    methyl propionate 50.76
    isopentyl acetate 15.06
    trichloroethylene 4.28
    n-nonanol 13.68
    cyclohexanol 41.55
    benzyl alcohol 22.92
    2-ethylhexanol 8.35
    isooctanol 9.4
    dipropyl ether 14.41
    1,2-dichlorobenzene 0.97
    ethyl lactate 23.22
    propylene carbonate 22.4
    n-methylformamide 136.37
    2-pentanol 38.12
    n-pentane 0.15
    1-propoxy-2-propanol 65.62
    1-methoxy-2-propyl acetate 38.87
    2-(2-methoxypropoxy) propanol 47.02
    mesitylene 1.18
    ε-caprolactone 61.09
    p-cymene 1.93
    epichlorohydrin 120.04
    1,1,1-trichloroethane 1.05
    2-aminoethanol 82.29
    morpholine-4-carbaldehyde 127.17
    sulfolane 129.38
    2,2,4-trimethylpentane 0.18
    2-methyltetrahydrofuran 104.68
    n-hexyl acetate 17.4
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 74.41
    sec-butyl acetate 16.01
    tert-butyl acetate 38.4
    decalin 0.16
    glycerin 132.12
    diglyme 104.24
    acrylic acid 36.35
    isopropyl myristate 11.9
    n-butyric acid 51.32
    acetyl acetate 13.6
    di(2-ethylhexyl) phthalate 7.72
    ethyl propionate 22.85
    nitromethane 143.17
    1,2-diethoxyethane 47.42
    benzonitrile 10.26
    trioctyl phosphate 8.21
    1-bromopropane 2.55
    gamma-valerolactone 211.71
    n-decanol 11.68
    triethyl phosphate 8.03
    4-methyl-2-pentanol 16.5
    propionitrile 31.91
    vinylene carbonate 16.31
    1,1,2-trichlorotrifluoroethane 55.87
    DMS 17.76
    cumene 1.2
    2-octanol 10.5
    2-hexanone 42.24
    octyl acetate 14.61
    limonene 2.78
    1,2-dimethoxyethane 173.78
    ethyl orthosilicate 7.88
    tributyl phosphate 9.42
    diacetone alcohol 111.97
    N,N-dimethylaniline 7.88
    acrylonitrile 40.75
    aniline 19.36
    1,3-propanediol 159.02
    bromobenzene 0.63
    dibromomethane 0.47
    1,1,2,2-tetrachloroethane 5.59
    2-methyl-cyclohexyl acetate 10.48
    tetrabutyl urea 17.58
    diisobutyl methanol 7.51
    2-phenylethanol 17.45
    styrene 1.94
    dioctyl adipate 14.37
    dimethyl sulfate 44.27
    ethyl butyrate 13.71
    methyl lactate 63.45
    butyl lactate 22.02
    diethyl carbonate 7.72
    propanediol butyl ether 43.41
    triethyl orthoformate 13.44
    p-tert-butyltoluene 2.07
    methyl 4-tert-butylbenzoate 17.45
    morpholine 208.9
    tert-butylamine 17.48
    n-dodecanol 9.62
    dimethoxymethane 235.81
    ethylene carbonate 18.4
    cyrene 35.3
    2-ethoxyethyl acetate 33.61
    2-ethylhexyl acetate 9.06
    1,2,4-trichlorobenzene 1.94
    4-methylpyridine 30.77
    dibutyl ether 15.09
    2,6-dimethyl-4-heptanol 7.51
    DEF 88.67
    dimethyl isosorbide 52.76
    tetrachloroethylene 2.54
    eugenol 22.48
    triacetin 19.76
    span 80 30.77
    1,4-butanediol 38.61
    1,1-dichloroethane 2.0
    2-methyl-1-pentanol 21.27
    methyl formate 78.32
    2-methyl-1-butanol 39.54
    n-decane 0.69
    butyronitrile 27.98
    3,7-dimethyl-1-octanol 10.35
    1-chlorooctane 2.69
    1-chlorotetradecane 1.75
    n-nonane 0.43
    undecane 0.61
    tert-butylcyclohexane 0.12
    cyclooctane 0.1
    cyclopentanol 53.29
    tetrahydropyran 83.9
    tert-amyl methyl ether 27.17
    2,5,8-trioxanonane 86.68
    1-hexene 1.02
    2-isopropoxyethanol 74.96
    2,2,2-trifluoroethanol 19.34
    methyl butyrate 31.29

    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