alpha-Cotonefuran

Overview IFRA Request a quote

  • Identifiers

    CAS number
    93973-22-9

    Molecular formula
    C15H14O6

    SMILES
    COC1=C(C=CC2=C1OC3=C(C(=C(C=C23)O)OC)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 66.63%
    Spicy 51.44%
    Smoky 49.01%
    Burnt 44.86%
    Vanilla 41.92%
    Woody 37.87%
    Balsamic 35.59%
    Medicinal 30.26%
    Powdery 27.94%
    Odorless 26.63%

     

    Flavor
    Bitter 76.86%
    Bland 26.22%
    Eugenol 23.56%
    Parsley 22.46%
    Sweet-like 20.68%
    Allspice 20.11%
    Ham 20.06%
    Flat 19.88%
    Cedarleaf 19.82%
    Phenolic 19.65%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.61 (weak base)

    Molecular weight
    290.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    578°C

    Melting point expt.

    • 150 - 151 °C

    Flash point

    • 229.31 ˚C est.

  • Synonyms

    • alpha-Cotonefuran
    • 3,4,6-trimethoxydibenzofuran-2,7-diol
    • 93973-22-9
    • a-Cotonefuran
    • 2,7-Dibenzofurandiol, 3,4,6--trimethoxy-
    • C08739
    • CHEBI:10222
    • DTXSID10916800
    • 2,7-Trihydroxy-3,4,6-trimethoxydibenzofuran
    • 3,4,6-trimethoxydibenzo[b,d]furan-2,7-diol
    • Q27108603
    • 5,6,10-trimethoxy-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaene-4,11-diol
    • 93973-22-9

  • Applications

    Alpha-Cotonefuran (CAS 93973-22-9) is primarily used as an odorant in fragrance formulations, contributing cotton-like notes in perfumery and in cosmetics/personal care products. It may also be employed in household cleaning products as a fragrance ingredient. In industrial manufacturing, it can serve as an intermediate for the synthesis of related aroma-chemical derivatives. It is sometimes considered for use in coatings and inks as a fragrance additive. All applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.39
    methanol 3.47
    isopropanol 2.36
    water 0.04
    ethyl acetate 7.43
    n-propanol 3.06
    acetone 7.34
    n-butanol 2.88
    acetonitrile 3.72
    DMF 31.15
    toluene 0.94
    isobutanol 2.44
    1,4-dioxane 8.5
    methyl acetate 7.62
    THF 19.36
    2-butanone 7.32
    n-pentanol 3.17
    sec-butanol 2.91
    n-hexane 0.32
    ethylene glycol 3.66
    NMP 36.24
    cyclohexane 0.48
    DMSO 37.52
    n-butyl acetate 8.95
    n-octanol 4.08
    chloroform 8.66
    n-propyl acetate 7.36
    acetic acid 11.79
    dichloromethane 11.62
    cyclohexanone 12.12
    propylene glycol 1.95
    isopropyl acetate 5.61
    DMAc 35.26
    2-ethoxyethanol 13.78
    isopentanol 3.42
    n-heptane 0.67
    ethyl formate 6.79
    1,2-dichloroethane 10.42
    n-hexanol 5.02
    2-methoxyethanol 19.08
    isobutyl acetate 4.81
    tetrachloromethane 2.27
    n-pentyl acetate 9.1
    transcutol 23.88
    n-heptanol 4.84
    ethylbenzene 1.36
    MIBK 5.45
    2-propoxyethanol 18.66
    tert-butanol 4.29
    MTBE 3.53
    2-butoxyethanol 13.31
    propionic acid 6.13
    o-xylene 1.6
    formic acid 9.57
    diethyl ether 3.98
    m-xylene 1.11
    p-xylene 1.71
    chlorobenzene 2.64
    dimethyl carbonate 10.71
    n-octane 0.57
    formamide 17.73
    cyclopentanone 17.59
    2-pentanone 6.66
    anisole 4.07
    cyclopentyl methyl ether 7.15
    gamma-butyrolactone 25.99
    1-methoxy-2-propanol 12.63
    pyridine 7.99
    3-pentanone 6.22
    furfural 24.94
    n-dodecane 0.53
    diethylene glycol 23.39
    diisopropyl ether 1.73
    tert-amyl alcohol 4.67
    acetylacetone 10.76
    n-hexadecane 0.61
    acetophenone 8.43
    methyl propionate 9.89
    isopentyl acetate 8.89
    trichloroethylene 17.09
    n-nonanol 4.51
    cyclohexanol 4.36
    benzyl alcohol 5.69
    2-ethylhexanol 4.88
    isooctanol 4.74
    dipropyl ether 4.47
    1,2-dichlorobenzene 4.91
    ethyl lactate 8.42
    propylene carbonate 13.51
    n-methylformamide 13.27
    2-pentanol 2.48
    n-pentane 0.32
    1-propoxy-2-propanol 12.99
    1-methoxy-2-propyl acetate 15.0
    2-(2-methoxypropoxy) propanol 13.59
    mesitylene 1.0
    ε-caprolactone 14.02
    p-cymene 2.99
    epichlorohydrin 23.85
    1,1,1-trichloroethane 5.3
    2-aminoethanol 4.12
    morpholine-4-carbaldehyde 35.86
    sulfolane 42.62
    2,2,4-trimethylpentane 0.41
    2-methyltetrahydrofuran 9.55
    n-hexyl acetate 8.93
    isooctane 0.23
    2-(2-butoxyethoxy)ethanol 15.11
    sec-butyl acetate 4.69
    tert-butyl acetate 7.35
    decalin 0.53
    glycerin 8.61
    diglyme 28.56
    acrylic acid 8.49
    isopropyl myristate 4.37
    n-butyric acid 7.4
    acetyl acetate 6.47
    di(2-ethylhexyl) phthalate 6.01
    ethyl propionate 6.97
    nitromethane 24.75
    1,2-diethoxyethane 9.87
    benzonitrile 5.19
    trioctyl phosphate 5.24
    1-bromopropane 3.68
    gamma-valerolactone 27.24
    n-decanol 3.57
    triethyl phosphate 8.67
    4-methyl-2-pentanol 2.35
    propionitrile 4.34
    vinylene carbonate 12.99
    1,1,2-trichlorotrifluoroethane 32.36
    DMS 13.52
    cumene 1.66
    2-octanol 3.74
    2-hexanone 6.82
    octyl acetate 5.8
    limonene 3.93
    1,2-dimethoxyethane 20.97
    ethyl orthosilicate 7.81
    tributyl phosphate 6.14
    diacetone alcohol 12.19
    N,N-dimethylaniline 4.94
    acrylonitrile 7.45
    aniline 3.34
    1,3-propanediol 6.72
    bromobenzene 2.11
    dibromomethane 6.28
    1,1,2,2-tetrachloroethane 14.58
    2-methyl-cyclohexyl acetate 9.11
    tetrabutyl urea 9.09
    diisobutyl methanol 3.52
    2-phenylethanol 7.96
    styrene 1.29
    dioctyl adipate 7.12
    dimethyl sulfate 25.52
    ethyl butyrate 7.72
    methyl lactate 11.52
    butyl lactate 9.46
    diethyl carbonate 6.89
    propanediol butyl ether 9.36
    triethyl orthoformate 7.98
    p-tert-butyltoluene 2.9
    methyl 4-tert-butylbenzoate 11.95
    morpholine 12.19
    tert-butylamine 2.38
    n-dodecanol 2.84
    dimethoxymethane 19.98
    ethylene carbonate 10.55
    cyrene 18.6
    2-ethoxyethyl acetate 14.38
    2-ethylhexyl acetate 7.85
    1,2,4-trichlorobenzene 6.36
    4-methylpyridine 5.92
    dibutyl ether 4.19
    2,6-dimethyl-4-heptanol 3.52
    DEF 14.11
    dimethyl isosorbide 23.83
    tetrachloroethylene 13.32
    eugenol 12.94
    triacetin 13.21
    span 80 10.33
    1,4-butanediol 3.63
    1,1-dichloroethane 4.5
    2-methyl-1-pentanol 3.98
    methyl formate 12.33
    2-methyl-1-butanol 3.25
    n-decane 0.83
    butyronitrile 3.81
    3,7-dimethyl-1-octanol 3.91
    1-chlorooctane 2.85
    1-chlorotetradecane 1.45
    n-nonane 0.7
    undecane 0.65
    tert-butylcyclohexane 0.46
    cyclooctane 0.28
    cyclopentanol 4.99
    tetrahydropyran 5.14
    tert-amyl methyl ether 4.23
    2,5,8-trioxanonane 21.39
    1-hexene 1.07
    2-isopropoxyethanol 9.93
    2,2,2-trifluoroethanol 11.65
    methyl butyrate 9.31

    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