KN6Dch55WP

Overview IFRA Request a quote

  • Identifiers

    CAS number
    828265-08-3

    Molecular formula
    C17H16O5

    SMILES
    CC1=CC(=CC2=C1C(CC(=O)O2)C3=CC(=C(C=C3)O)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 61.62%
    Spicy 47.75%
    Vanilla 47.49%
    Sweet 46.38%
    Balsamic 33.53%
    Smoky 33.51%
    Odorless 33.39%
    Woody 32.61%
    Powdery 32.41%
    Creamy 31.81%

     

    Flavor
    Bitter 87.67%
    Bland 22.62%
    Parsley 21.53%
    Lovage 21.07%
    Cedarleaf 21.07%
    Eugenol 20.93%
    Sweet-like 20.57%
    Odorless 20.02%
    Ripe apricot 19.84%
    Allspice 19.67%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    9.78 (weak base)

    Molecular weight
    300.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    635°C

    Flash point

    • 219.68 ˚C est.

  • Synonyms

    • KN6DCH55WP
    • UNII-KN6DCH55WP
    • Fema No. 4888, 7-hydroxy-5-methyl-
    • 828265-08-3
    • 7-Hydroxy-4-(4'-hydroxy-3'-methoxyphenyl)-5-methylchroman-2-one
    • 2H-1-Benzopyran-2-one, 3,4-dihydro-7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-methyl-
    • 3,4-Dihydro-7-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-5-methyl-2H-1-benzopyran-2-one
    • SCHEMBL17926350
    • 7-HYDROXY-4-(4-HYDROXY-3-METHOXYPHENYL)-5-METHYLCHROMAN-2-ONE
    • 828265-08-3

  • Applications

    KN6Dch55WP (CAS 828265-08-3) is typically considered as a potential intermediate in organic synthesis and may be used as a solvent or processing aid in coatings, inks, and cleaners; it can function as a plasticizer or stabilizer in polymer formulations; it is sometimes evaluated for use in cosmetics or personal care formulations as a specialty additive, subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.31
    methanol 19.11
    isopropanol 13.6
    water 0.02
    ethyl acetate 28.49
    n-propanol 9.47
    acetone 111.61
    n-butanol 8.55
    acetonitrile 36.53
    DMF 245.99
    toluene 2.12
    isobutanol 8.24
    1,4-dioxane 83.12
    methyl acetate 36.54
    THF 278.4
    2-butanone 46.98
    n-pentanol 8.75
    sec-butanol 7.37
    n-hexane 0.05
    ethylene glycol 12.33
    NMP 75.58
    cyclohexane 0.07
    DMSO 647.37
    n-butyl acetate 18.93
    n-octanol 7.58
    chloroform 12.24
    n-propyl acetate 23.99
    acetic acid 41.58
    dichloromethane 13.61
    cyclohexanone 51.63
    propylene glycol 13.46
    isopropyl acetate 18.59
    DMAc 194.05
    2-ethoxyethanol 68.74
    isopentanol 11.35
    n-heptane 0.15
    ethyl formate 18.47
    1,2-dichloroethane 16.3
    n-hexanol 7.39
    2-methoxyethanol 132.02
    isobutyl acetate 14.67
    tetrachloromethane 0.87
    n-pentyl acetate 13.93
    transcutol 163.3
    n-heptanol 7.64
    ethylbenzene 1.82
    MIBK 22.44
    2-propoxyethanol 72.78
    tert-butanol 33.3
    MTBE 11.45
    2-butoxyethanol 29.9
    propionic acid 16.61
    o-xylene 2.15
    formic acid 27.41
    diethyl ether 8.38
    m-xylene 2.46
    p-xylene 2.75
    chlorobenzene 5.36
    dimethyl carbonate 39.92
    n-octane 0.14
    formamide 78.46
    cyclopentanone 117.87
    2-pentanone 35.02
    anisole 16.09
    cyclopentyl methyl ether 24.54
    gamma-butyrolactone 122.54
    1-methoxy-2-propanol 96.64
    pyridine 21.94
    3-pentanone 20.98
    furfural 68.08
    n-dodecane 0.33
    diethylene glycol 93.24
    diisopropyl ether 2.74
    tert-amyl alcohol 13.99
    acetylacetone 81.97
    n-hexadecane 0.39
    acetophenone 21.28
    methyl propionate 33.82
    isopentyl acetate 19.57
    trichloroethylene 35.32
    n-nonanol 8.34
    cyclohexanol 8.01
    benzyl alcohol 16.9
    2-ethylhexanol 6.47
    isooctanol 7.52
    dipropyl ether 9.34
    1,2-dichlorobenzene 7.01
    ethyl lactate 23.91
    propylene carbonate 33.22
    n-methylformamide 81.42
    2-pentanol 5.98
    n-pentane 0.03
    1-propoxy-2-propanol 46.6
    1-methoxy-2-propyl acetate 44.64
    2-(2-methoxypropoxy) propanol 43.89
    mesitylene 1.96
    ε-caprolactone 37.05
    p-cymene 3.15
    epichlorohydrin 138.35
    1,1,1-trichloroethane 9.58
    2-aminoethanol 16.48
    morpholine-4-carbaldehyde 127.78
    sulfolane 171.86
    2,2,4-trimethylpentane 0.14
    2-methyltetrahydrofuran 38.09
    n-hexyl acetate 18.44
    isooctane 0.15
    2-(2-butoxyethoxy)ethanol 55.43
    sec-butyl acetate 13.06
    tert-butyl acetate 27.71
    decalin 0.22
    glycerin 46.64
    diglyme 114.71
    acrylic acid 20.5
    isopropyl myristate 9.62
    n-butyric acid 20.44
    acetyl acetate 23.86
    di(2-ethylhexyl) phthalate 13.02
    ethyl propionate 20.09
    nitromethane 201.82
    1,2-diethoxyethane 38.88
    benzonitrile 16.23
    trioctyl phosphate 9.24
    1-bromopropane 3.17
    gamma-valerolactone 138.69
    n-decanol 6.77
    triethyl phosphate 14.69
    4-methyl-2-pentanol 5.97
    propionitrile 22.54
    vinylene carbonate 30.33
    1,1,2-trichlorotrifluoroethane 70.9
    DMS 28.29
    cumene 1.84
    2-octanol 5.41
    2-hexanone 25.99
    octyl acetate 12.16
    limonene 3.88
    1,2-dimethoxyethane 129.68
    ethyl orthosilicate 12.54
    tributyl phosphate 11.2
    diacetone alcohol 54.94
    N,N-dimethylaniline 10.72
    acrylonitrile 40.62
    aniline 9.01
    1,3-propanediol 31.74
    bromobenzene 4.04
    dibromomethane 5.21
    1,1,2,2-tetrachloroethane 27.58
    2-methyl-cyclohexyl acetate 16.72
    tetrabutyl urea 17.71
    diisobutyl methanol 5.98
    2-phenylethanol 17.75
    styrene 2.13
    dioctyl adipate 17.32
    dimethyl sulfate 78.74
    ethyl butyrate 17.66
    methyl lactate 40.04
    butyl lactate 18.62
    diethyl carbonate 14.61
    propanediol butyl ether 28.51
    triethyl orthoformate 16.78
    p-tert-butyltoluene 3.22
    methyl 4-tert-butylbenzoate 27.52
    morpholine 86.39
    tert-butylamine 6.34
    n-dodecanol 5.24
    dimethoxymethane 170.81
    ethylene carbonate 26.66
    cyrene 45.98
    2-ethoxyethyl acetate 31.76
    2-ethylhexyl acetate 13.64
    1,2,4-trichlorobenzene 10.64
    4-methylpyridine 22.22
    dibutyl ether 9.48
    2,6-dimethyl-4-heptanol 5.98
    DEF 39.35
    dimethyl isosorbide 78.15
    tetrachloroethylene 11.94
    eugenol 29.79
    triacetin 33.27
    span 80 25.69
    1,4-butanediol 13.78
    1,1-dichloroethane 9.73
    2-methyl-1-pentanol 8.85
    methyl formate 74.12
    2-methyl-1-butanol 7.76
    n-decane 0.48
    butyronitrile 14.35
    3,7-dimethyl-1-octanol 8.55
    1-chlorooctane 3.14
    1-chlorotetradecane 1.55
    n-nonane 0.34
    undecane 0.4
    tert-butylcyclohexane 0.24
    cyclooctane 0.05
    cyclopentanol 14.18
    tetrahydropyran 22.54
    tert-amyl methyl ether 8.72
    2,5,8-trioxanonane 85.25
    1-hexene 0.44
    2-isopropoxyethanol 41.55
    2,2,2-trifluoroethanol 22.66
    methyl butyrate 26.74

    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