Wairol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    77331-73-8

    Molecular formula
    C17H12O6

    SMILES
    COC1=CC2=C(C(=C1)OC)C3=C(O2)C4=C(C=C(C=C4)O)OC3=O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 47.94%
    Sweet 42.76%
    Fruity 33.45%
    Vanilla 33.03%
    Burnt 28.74%
    Powdery 28.69%
    Odorless 27.08%
    Spicy 26.88%
    Balsamic 25.91%
    Creamy 24.51%

     

    Flavor
    Bitter 94.19%
    Odorless 20.72%
    Bland 20.65%
    Parsley 19.81%
    Cedarleaf 19.36%
    Sweet-like 19.03%
    Lovage 18.77%
    Very strong 18.4%
    Ripe apricot 18.39%
    Indole 18.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    7.64 (neutral)

    Molecular weight
    312.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    564°C

    Melting point expt.

    • 292 - 294 °C

    Flash point

    • 247.47 ˚C est.

  • Synonyms

    • Wairol
    • 3-Hydroxy-7,9-dimethoxycoumestan
    • 7-Hydroxy-10,12-dimethoxycoumestan
    • 77331-73-8
    • 6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 3-hydroxy-7,9-dimethoxy-
    • DTXSID40228069
    • CHEBI:174247
    • LMPK12090031
    • 3-hydroxy-7,9-dimethoxy-[1]benzouro[3,2-c]chromen-6-one
    • 3-Hydroxy-7,9-dimethoxy-6H-[1]benzofuro[3,2-c][1]benzopyran-6-one
    • 77331-73-8

  • Applications

    Wairol, CAS 77331-73-8, is used in industry as an intermediate and processing aid in multiple formulations: it is commonly employed as a solvent or co-solvent for coatings and inks; it functions as a stabilizer or processing aid in plastics and polymer processing; it is used in cleaning formulations and as a solvent component in manufacturing processes; it may also act as a surfactant or surface-active agent depending on the formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.57
    methanol 2.76
    isopropanol 2.04
    water 0.02
    ethyl acetate 10.06
    n-propanol 2.48
    acetone 23.16
    n-butanol 2.25
    acetonitrile 9.22
    DMF 90.22
    toluene 1.53
    isobutanol 2.25
    1,4-dioxane 30.07
    methyl acetate 19.85
    THF 66.23
    2-butanone 18.37
    n-pentanol 1.87
    sec-butanol 1.89
    n-hexane 0.03
    ethylene glycol 5.1
    NMP 96.11
    cyclohexane 0.13
    DMSO 177.45
    n-butyl acetate 8.3
    n-octanol 1.87
    chloroform 10.9
    n-propyl acetate 9.56
    acetic acid 15.01
    dichloromethane 13.38
    cyclohexanone 35.34
    propylene glycol 3.24
    isopropyl acetate 6.51
    DMAc 135.82
    2-ethoxyethanol 15.14
    isopentanol 2.82
    n-heptane 0.06
    ethyl formate 10.44
    1,2-dichloroethane 12.38
    n-hexanol 1.78
    2-methoxyethanol 35.92
    isobutyl acetate 7.12
    tetrachloromethane 0.88
    n-pentyl acetate 5.72
    transcutol 30.51
    n-heptanol 1.85
    ethylbenzene 1.11
    MIBK 6.27
    2-propoxyethanol 21.1
    tert-butanol 3.4
    MTBE 2.08
    2-butoxyethanol 11.2
    propionic acid 8.83
    o-xylene 1.45
    formic acid 10.91
    diethyl ether 1.97
    m-xylene 1.1
    p-xylene 2.39
    chlorobenzene 3.87
    dimethyl carbonate 20.88
    n-octane 0.05
    formamide 24.44
    cyclopentanone 58.38
    2-pentanone 9.92
    anisole 6.69
    cyclopentyl methyl ether 9.49
    gamma-butyrolactone 68.47
    1-methoxy-2-propanol 18.66
    pyridine 25.83
    3-pentanone 9.58
    furfural 49.58
    n-dodecane 0.13
    diethylene glycol 28.71
    diisopropyl ether 0.64
    tert-amyl alcohol 2.76
    acetylacetone 23.22
    n-hexadecane 0.16
    acetophenone 13.64
    methyl propionate 16.53
    isopentyl acetate 9.23
    trichloroethylene 27.59
    n-nonanol 2.21
    cyclohexanol 4.35
    benzyl alcohol 8.8
    2-ethylhexanol 2.03
    isooctanol 1.92
    dipropyl ether 2.61
    1,2-dichlorobenzene 4.66
    ethyl lactate 9.51
    propylene carbonate 24.55
    n-methylformamide 25.37
    2-pentanol 1.17
    n-pentane 0.02
    1-propoxy-2-propanol 11.81
    1-methoxy-2-propyl acetate 17.46
    2-(2-methoxypropoxy) propanol 15.92
    mesitylene 0.73
    ε-caprolactone 29.34
    p-cymene 1.54
    epichlorohydrin 60.64
    1,1,1-trichloroethane 6.73
    2-aminoethanol 5.41
    morpholine-4-carbaldehyde 76.1
    sulfolane 97.32
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 17.86
    n-hexyl acetate 6.11
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 16.18
    sec-butyl acetate 6.0
    tert-butyl acetate 7.48
    decalin 0.15
    glycerin 15.63
    diglyme 34.17
    acrylic acid 13.64
    isopropyl myristate 3.6
    n-butyric acid 9.63
    acetyl acetate 9.84
    di(2-ethylhexyl) phthalate 6.31
    ethyl propionate 9.31
    nitromethane 60.49
    1,2-diethoxyethane 9.13
    benzonitrile 10.71
    trioctyl phosphate 4.06
    1-bromopropane 2.35
    gamma-valerolactone 88.19
    n-decanol 1.91
    triethyl phosphate 8.2
    4-methyl-2-pentanol 1.2
    propionitrile 7.71
    vinylene carbonate 24.15
    1,1,2-trichlorotrifluoroethane 58.27
    DMS 16.82
    cumene 0.96
    2-octanol 1.22
    2-hexanone 9.46
    octyl acetate 4.73
    limonene 1.71
    1,2-dimethoxyethane 35.08
    ethyl orthosilicate 6.63
    tributyl phosphate 5.48
    diacetone alcohol 14.8
    N,N-dimethylaniline 5.29
    acrylonitrile 16.64
    aniline 6.71
    1,3-propanediol 9.76
    bromobenzene 3.23
    dibromomethane 5.08
    1,1,2,2-tetrachloroethane 23.58
    2-methyl-cyclohexyl acetate 9.22
    tetrabutyl urea 9.01
    diisobutyl methanol 1.53
    2-phenylethanol 8.48
    styrene 1.43
    dioctyl adipate 7.44
    dimethyl sulfate 46.11
    ethyl butyrate 7.67
    methyl lactate 18.49
    butyl lactate 7.52
    diethyl carbonate 7.82
    propanediol butyl ether 7.81
    triethyl orthoformate 7.71
    p-tert-butyltoluene 1.2
    methyl 4-tert-butylbenzoate 11.18
    morpholine 32.86
    tert-butylamine 1.04
    n-dodecanol 1.6
    dimethoxymethane 36.18
    ethylene carbonate 20.74
    cyrene 23.37
    2-ethoxyethyl acetate 12.95
    2-ethylhexyl acetate 7.43
    1,2,4-trichlorobenzene 8.16
    4-methylpyridine 18.16
    dibutyl ether 2.64
    2,6-dimethyl-4-heptanol 1.53
    DEF 21.34
    dimethyl isosorbide 29.8
    tetrachloroethylene 12.39
    eugenol 13.25
    triacetin 13.26
    span 80 9.21
    1,4-butanediol 3.56
    1,1-dichloroethane 5.57
    2-methyl-1-pentanol 2.5
    methyl formate 24.3
    2-methyl-1-butanol 2.47
    n-decane 0.15
    butyronitrile 5.04
    3,7-dimethyl-1-octanol 2.4
    1-chlorooctane 0.89
    1-chlorotetradecane 0.61
    n-nonane 0.1
    undecane 0.14
    tert-butylcyclohexane 0.1
    cyclooctane 0.04
    cyclopentanol 6.87
    tetrahydropyran 10.81
    tert-amyl methyl ether 2.34
    2,5,8-trioxanonane 28.86
    1-hexene 0.28
    2-isopropoxyethanol 9.57
    2,2,2-trifluoroethanol 12.36
    methyl butyrate 13.68

    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