Bancroftinone

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  • Identifiers

    CAS number
    14964-98-8

    Molecular formula
    C11H14O4

    SMILES
    CC1=C(C=C(C(=C1OC)C(=O)C)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 67.03%
    Phenolic 52.44%
    Spicy 52.07%
    Woody 49.41%
    Vanilla 40.69%
    Smoky 36.27%
    Balsamic 35.76%
    Powdery 34.66%
    Floral 34.01%
    Herbal 32.65%

     

    Flavor
    Woody 33.05%
    Phenolic 28.03%
    Bitter 26.82%
    Spice 26.39%
    Camphor 24.68%
    Smoky 24.19%
    Parsley 22.45%
    Eugenol 22.21%
    Burnt 21.95%
    Ham 21.4%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.5 (weak base)

    Molecular weight
    210.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    339°C

    Melting point expt.

    • 44 - 45 °C

    Flash point

    • 139.95 ˚C est.

  • Synonyms

    • Bancroftinone
    • 14964-98-8
    • 1-(6-hydroxy-2,4-dimethoxy-3-methylphenyl)ethan-1-one
    • 6'-Hydroxy-2',4'-dimethoxy-3'-methylacetophenone
    • RefChem:116429
    • 1-(6-hydroxy-2,4-dimethoxy-3-methylphenyl)ethanone
    • Ethanone, 1-(6-hydroxy-2,4-dimethoxy-3-methylphenyl)-
    • 1-(6-hydroxy-2,4-dimethoxy-3-methyl-phenyl)ethanone
    • orb1297449
    • SCHEMBL30977128
    • CHEBI:174056
    • DTXSID701317702
    • HY-N8055
    • AKOS040760293
    • EBC-617507
    • AC-34530
    • DA-50936
    • MS-23155
    • CS-0139044
    • E80671
    • 14964-98-8

  • Applications

    Bancroftinone, CAS 14964-98-8, is viewed as an organic synthesis intermediate in the production of fine chemicals, including pharmaceutical and industrial chemical precursors. In industry, it may be used as a solvent or processing aid in large-scale manufacturing and serves as a precursor for polymers/plastics and for coatings/inks formulations. It is also evaluated for fragrance-related applications in perfumery/fragrance at a research level, where it may function as an odorant ingredient or fragrance stabilizer. Its use is subject to local regulations and formulation-specific limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 81.19
    methanol 105.7
    isopropanol 65.39
    water 0.38
    ethyl acetate 204.8
    n-propanol 69.86
    acetone 299.36
    n-butanol 71.48
    acetonitrile 183.45
    DMF 496.31
    toluene 64.46
    isobutanol 52.59
    1,4-dioxane 356.42
    methyl acetate 221.86
    THF 674.92
    2-butanone 178.82
    n-pentanol 58.02
    sec-butanol 59.4
    n-hexane 10.28
    ethylene glycol 62.26
    NMP 358.36
    cyclohexane 16.91
    DMSO 508.22
    n-butyl acetate 94.88
    n-octanol 38.62
    chloroform 289.44
    n-propyl acetate 97.13
    acetic acid 117.52
    dichloromethane 330.41
    cyclohexanone 247.35
    propylene glycol 43.51
    isopropyl acetate 111.7
    DMAc 326.52
    2-ethoxyethanol 138.01
    isopentanol 63.44
    n-heptane 8.44
    ethyl formate 150.39
    1,2-dichloroethane 266.38
    n-hexanol 74.91
    2-methoxyethanol 299.8
    isobutyl acetate 63.79
    tetrachloromethane 59.54
    n-pentyl acetate 61.24
    transcutol 103.21
    n-heptanol 35.87
    ethylbenzene 45.88
    MIBK 108.86
    2-propoxyethanol 175.08
    tert-butanol 100.19
    MTBE 100.32
    2-butoxyethanol 74.43
    propionic acid 88.98
    o-xylene 48.79
    formic acid 60.43
    diethyl ether 137.86
    m-xylene 56.89
    p-xylene 57.51
    chlorobenzene 108.98
    dimethyl carbonate 146.48
    n-octane 4.71
    formamide 117.89
    cyclopentanone 402.12
    2-pentanone 171.53
    anisole 107.06
    cyclopentyl methyl ether 219.82
    gamma-butyrolactone 455.74
    1-methoxy-2-propanol 188.97
    pyridine 164.73
    3-pentanone 139.0
    furfural 310.47
    n-dodecane 4.73
    diethylene glycol 193.07
    diisopropyl ether 40.96
    tert-amyl alcohol 79.82
    acetylacetone 255.84
    n-hexadecane 5.68
    acetophenone 98.93
    methyl propionate 202.57
    isopentyl acetate 80.98
    trichloroethylene 406.72
    n-nonanol 34.63
    cyclohexanol 95.89
    benzyl alcohol 79.64
    2-ethylhexanol 51.22
    isooctanol 30.72
    dipropyl ether 61.09
    1,2-dichlorobenzene 102.97
    ethyl lactate 68.14
    propylene carbonate 208.41
    n-methylformamide 217.23
    2-pentanol 53.17
    n-pentane 7.93
    1-propoxy-2-propanol 99.3
    1-methoxy-2-propyl acetate 124.68
    2-(2-methoxypropoxy) propanol 66.02
    mesitylene 40.61
    ε-caprolactone 201.76
    p-cymene 30.56
    epichlorohydrin 494.68
    1,1,1-trichloroethane 238.76
    2-aminoethanol 62.6
    morpholine-4-carbaldehyde 307.09
    sulfolane 503.6
    2,2,4-trimethylpentane 6.48
    2-methyltetrahydrofuran 307.11
    n-hexyl acetate 87.31
    isooctane 5.84
    2-(2-butoxyethoxy)ethanol 76.65
    sec-butyl acetate 67.39
    tert-butyl acetate 121.45
    decalin 14.21
    glycerin 98.89
    diglyme 170.99
    acrylic acid 94.27
    isopropyl myristate 36.22
    n-butyric acid 116.03
    acetyl acetate 145.45
    di(2-ethylhexyl) phthalate 38.26
    ethyl propionate 113.41
    nitromethane 375.23
    1,2-diethoxyethane 65.61
    benzonitrile 100.45
    trioctyl phosphate 33.13
    1-bromopropane 112.6
    gamma-valerolactone 374.4
    n-decanol 26.69
    triethyl phosphate 56.23
    4-methyl-2-pentanol 38.16
    propionitrile 120.29
    vinylene carbonate 184.64
    1,1,2-trichlorotrifluoroethane 265.91
    DMS 108.93
    cumene 34.16
    2-octanol 29.08
    2-hexanone 101.92
    octyl acetate 46.65
    limonene 44.08
    1,2-dimethoxyethane 272.09
    ethyl orthosilicate 49.32
    tributyl phosphate 37.66
    diacetone alcohol 142.98
    N,N-dimethylaniline 73.88
    acrylonitrile 158.79
    aniline 84.99
    1,3-propanediol 111.34
    bromobenzene 112.93
    dibromomethane 198.85
    1,1,2,2-tetrachloroethane 303.81
    2-methyl-cyclohexyl acetate 69.31
    tetrabutyl urea 50.5
    diisobutyl methanol 31.46
    2-phenylethanol 84.15
    styrene 51.43
    dioctyl adipate 49.64
    dimethyl sulfate 270.69
    ethyl butyrate 76.26
    methyl lactate 110.93
    butyl lactate 46.59
    diethyl carbonate 60.01
    propanediol butyl ether 61.8
    triethyl orthoformate 55.4
    p-tert-butyltoluene 32.28
    methyl 4-tert-butylbenzoate 81.63
    morpholine 321.33
    tert-butylamine 51.26
    n-dodecanol 21.03
    dimethoxymethane 367.76
    ethylene carbonate 160.4
    cyrene 108.72
    2-ethoxyethyl acetate 83.15
    2-ethylhexyl acetate 66.71
    1,2,4-trichlorobenzene 112.48
    4-methylpyridine 168.94
    dibutyl ether 41.61
    2,6-dimethyl-4-heptanol 31.46
    DEF 199.21
    dimethyl isosorbide 139.66
    tetrachloroethylene 199.76
    eugenol 75.74
    triacetin 76.14
    span 80 50.87
    1,4-butanediol 49.23
    1,1-dichloroethane 206.36
    2-methyl-1-pentanol 52.1
    methyl formate 244.98
    2-methyl-1-butanol 58.36
    n-decane 7.71
    butyronitrile 120.9
    3,7-dimethyl-1-octanol 37.09
    1-chlorooctane 33.65
    1-chlorotetradecane 14.85
    n-nonane 7.34
    undecane 5.92
    tert-butylcyclohexane 12.83
    cyclooctane 7.84
    cyclopentanol 130.67
    tetrahydropyran 243.09
    tert-amyl methyl ether 89.18
    2,5,8-trioxanonane 112.23
    1-hexene 33.3
    2-isopropoxyethanol 93.11
    2,2,2-trifluoroethanol 80.47
    methyl butyrate 136.64

    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