Buntansin A

Overview IFRA Request a quote

  • Identifiers

    CAS number
    52525-63-0

    Molecular formula
    C11H8O5

    SMILES
    COC1=C(C=C2C=CC(=O)OC2=C1)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 49.52%
    Phenolic 38.28%
    Sweet 37.25%
    Burnt 33.24%
    Caramellic 31.19%
    Balsamic 30.97%
    Vanilla 30.37%
    Nutty 29.6%
    Creamy 27.56%
    Coumarinic 26.48%

     

    Flavor
    Bitter 37.89%
    Odorless 36.19%
    Sweet 33.36%
    Balsam 29.89%
    Faint 29.39%
    Mild 26.96%
    Balsamic 25.53%
    Urine 22.25%
    Cadaverous 22.19%
    Creamy 22.14%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    5.74 (weak acid)

    Molecular weight
    220.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    424°C

    Melting point expt.

    • 237 - 239 °C

    Flash point

    • 199.04 ˚C est.

  • Synonyms

    • Buntansin A
    • 7-methoxycoumarin-6-carboxylic acid
    • Buntansin
    • 52525-63-0
    • 7-Methoxy-2-oxo-2H-1-benzopyran-6-carboxylic acid
    • CHEBI:178384
    • DTXSID001235208
    • 7-methoxy-2-oxochromene-6-carboxylic acid
    • 52525-63-0

  • Applications

    Buntansin A (CAS 52525-63-0) is primarily encountered as an intermediate in organic synthesis and can function as a solvent or processing aid in industrial manufacturing. In formulations, it may be explored as a functional additive for coatings and inks, and it could be evaluated for use in polymer systems as a plasticizer or compatibility agent. The compound is sometimes considered for cosmetics/personal care formulations where permitted, and it may be evaluated as a synthetic intermediate in pharmaceutical or agrochemical research. Overall, its applications are formulation- and regulation-dependent, and uses would be defined by local requirements and product specifications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.85
    methanol 4.22
    isopropanol 2.21
    water 0.02
    ethyl acetate 4.32
    n-propanol 2.31
    acetone 14.81
    n-butanol 2.45
    acetonitrile 4.38
    DMF 86.89
    toluene 1.2
    isobutanol 2.08
    1,4-dioxane 14.0
    methyl acetate 7.55
    THF 73.01
    2-butanone 11.55
    n-pentanol 2.22
    sec-butanol 1.83
    n-hexane 0.03
    ethylene glycol 3.44
    NMP 71.38
    cyclohexane 0.02
    DMSO 176.06
    n-butyl acetate 5.29
    n-octanol 1.58
    chloroform 0.35
    n-propyl acetate 4.96
    acetic acid 3.08
    dichloromethane 1.3
    cyclohexanone 14.13
    propylene glycol 1.73
    isopropyl acetate 3.43
    DMAc 85.47
    2-ethoxyethanol 18.06
    isopentanol 3.5
    n-heptane 0.07
    ethyl formate 4.54
    1,2-dichloroethane 2.62
    n-hexanol 1.97
    2-methoxyethanol 38.34
    isobutyl acetate 2.61
    tetrachloromethane 0.1
    n-pentyl acetate 3.33
    transcutol 31.98
    n-heptanol 1.97
    ethylbenzene 1.07
    MIBK 6.05
    2-propoxyethanol 22.19
    tert-butanol 5.61
    MTBE 2.23
    2-butoxyethanol 9.96
    propionic acid 2.52
    o-xylene 1.43
    formic acid 6.8
    diethyl ether 1.72
    m-xylene 1.4
    p-xylene 1.67
    chlorobenzene 1.16
    dimethyl carbonate 8.07
    n-octane 0.05
    formamide 18.61
    cyclopentanone 35.03
    2-pentanone 8.0
    anisole 5.72
    cyclopentyl methyl ether 9.16
    gamma-butyrolactone 39.14
    1-methoxy-2-propanol 21.54
    pyridine 8.57
    3-pentanone 5.4
    furfural 27.47
    n-dodecane 0.09
    diethylene glycol 26.47
    diisopropyl ether 0.62
    tert-amyl alcohol 3.66
    acetylacetone 13.93
    n-hexadecane 0.11
    acetophenone 8.5
    methyl propionate 8.43
    isopentyl acetate 5.58
    trichloroethylene 3.66
    n-nonanol 1.79
    cyclohexanol 2.22
    benzyl alcohol 5.52
    2-ethylhexanol 2.11
    isooctanol 1.99
    dipropyl ether 3.1
    1,2-dichlorobenzene 1.57
    ethyl lactate 5.74
    propylene carbonate 9.9
    n-methylformamide 21.68
    2-pentanol 1.36
    n-pentane 0.02
    1-propoxy-2-propanol 12.03
    1-methoxy-2-propyl acetate 12.4
    2-(2-methoxypropoxy) propanol 15.63
    mesitylene 0.94
    ε-caprolactone 11.92
    p-cymene 1.53
    epichlorohydrin 43.63
    1,1,1-trichloroethane 0.76
    2-aminoethanol 3.88
    morpholine-4-carbaldehyde 51.69
    sulfolane 67.29
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 15.49
    n-hexyl acetate 3.96
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 16.79
    sec-butyl acetate 3.13
    tert-butyl acetate 5.9
    decalin 0.1
    glycerin 9.1
    diglyme 34.55
    acrylic acid 3.28
    isopropyl myristate 2.41
    n-butyric acid 3.18
    acetyl acetate 2.59
    di(2-ethylhexyl) phthalate 3.94
    ethyl propionate 5.83
    nitromethane 19.72
    1,2-diethoxyethane 7.43
    benzonitrile 4.8
    trioctyl phosphate 2.64
    1-bromopropane 0.84
    gamma-valerolactone 45.67
    n-decanol 1.52
    triethyl phosphate 5.19
    4-methyl-2-pentanol 1.48
    propionitrile 4.23
    vinylene carbonate 7.59
    1,1,2-trichlorotrifluoroethane 15.74
    DMS 6.38
    cumene 1.07
    2-octanol 1.23
    2-hexanone 7.12
    octyl acetate 3.17
    limonene 1.67
    1,2-dimethoxyethane 41.36
    ethyl orthosilicate 4.45
    tributyl phosphate 3.11
    diacetone alcohol 14.45
    N,N-dimethylaniline 5.78
    acrylonitrile 7.68
    aniline 3.28
    1,3-propanediol 8.03
    bromobenzene 0.86
    dibromomethane 0.56
    1,1,2,2-tetrachloroethane 2.84
    2-methyl-cyclohexyl acetate 5.89
    tetrabutyl urea 6.19
    diisobutyl methanol 1.84
    2-phenylethanol 5.68
    styrene 1.02
    dioctyl adipate 4.6
    dimethyl sulfate 23.24
    ethyl butyrate 5.21
    methyl lactate 9.25
    butyl lactate 4.38
    diethyl carbonate 4.24
    propanediol butyl ether 6.39
    triethyl orthoformate 5.35
    p-tert-butyltoluene 1.35
    methyl 4-tert-butylbenzoate 10.64
    morpholine 19.57
    tert-butylamine 1.49
    n-dodecanol 1.21
    dimethoxymethane 42.17
    ethylene carbonate 6.27
    cyrene 18.63
    2-ethoxyethyl acetate 7.1
    2-ethylhexyl acetate 4.16
    1,2,4-trichlorobenzene 2.51
    4-methylpyridine 9.52
    dibutyl ether 2.13
    2,6-dimethyl-4-heptanol 1.84
    DEF 15.59
    dimethyl isosorbide 31.45
    tetrachloroethylene 1.53
    eugenol 10.84
    triacetin 6.6
    span 80 7.04
    1,4-butanediol 3.01
    1,1-dichloroethane 0.77
    2-methyl-1-pentanol 2.86
    methyl formate 18.46
    2-methyl-1-butanol 2.7
    n-decane 0.12
    butyronitrile 3.67
    3,7-dimethyl-1-octanol 1.97
    1-chlorooctane 0.61
    1-chlorotetradecane 0.38
    n-nonane 0.08
    undecane 0.1
    tert-butylcyclohexane 0.1
    cyclooctane 0.02
    cyclopentanol 4.37
    tetrahydropyran 4.4
    tert-amyl methyl ether 2.66
    2,5,8-trioxanonane 28.07
    1-hexene 0.26
    2-isopropoxyethanol 10.4
    2,2,2-trifluoroethanol 3.09
    methyl butyrate 8.18

    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