Honyumine

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  • Identifiers

    CAS number
    100595-86-6

    Molecular formula
    C20H19NO5

    SMILES
    CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C4=C(N3C)C(=C(C=C4)O)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 50.34%
    Spicy 34.58%
    Sweet 33.22%
    Smoky 29.53%
    Woody 29.32%
    Burnt 29.0%
    Odorless 28.87%
    Powdery 27.74%
    Vanilla 26.87%
    Dry 26.62%

     

    Flavor
    Bitter 93.31%
    Bland 21.42%
    Odorless 21.03%
    Cedarleaf 20.05%
    Parsley 19.95%
    Sweet-like 19.42%
    Lovage 19.13%
    Ripe apricot 18.68%
    Eugenol 18.68%
    Red fruit 18.66%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    7.95 (neutral)

    Molecular weight
    353.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1132°C

    Melting point expt.

    • 175 - 176 °C

    Flash point

    • 258.18 ˚C est.

  • Synonyms

    • Honyumine
    • SJW3UM0K3D
    • UNII-SJW3UM0K3D
    • 10-Methoxy-2,2,11-trimethyl-5,9-bis(oxidanyl)pyrano(3,2-b)acridin-6-one
    • 2,11-Dihydro-5,9-dihydroxy-10-methoxy-2,2,11-trimethyl-6H-pyrano(3,2-b)acridin-6-one
    • 6H-Pyrano(3,2-b)acridin-6-one, 2,11-dihydro-5,9-dihydroxy-10-methoxy-2,2,11-trimethyl-
    • 2,11-Dihydro-5,9-dihydroxy-10-methoxy-2,2,11-trimethyl-6H-pyrano[3,2-b]acridin-6-one
    • 5,9-dihydroxy-10-methoxy-2,2,11-trimethylpyrano[3,2-b]acridin-6-one
    • 5,9-dihydroxy-10-methoxy-2,2,11-trimethylpyrano(3,2-b)acridin-6-one
    • RefChem:146800
    • 100595-86-6
    • orb2813831
    • CHEBI:174756
    • DTXSID001128683
    • 5,9-Dihydroxy-10-methoxy-2,2,11-trimethyl-2,11-dihydro-6H-pyrano[3,2-b]acridin-6-one
    • 100595-86-6

  • Applications

    Honyumine (CAS 100595-86-6) is used as an intermediate and/or solvent across a range of industrial formulations. Practically, it may function as an odorant or fixative in fragrance formulations; as a solvent or processing aid in coatings and inks; as a chemical intermediate for organic synthesis and polymer manufacturing; as a solvent or formulation component in cleaning and household products; and may be employed as a solvent or carrier in cosmetic and personal-care products, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.31
    methanol 1.64
    isopropanol 1.29
    water 0.0
    ethyl acetate 5.78
    n-propanol 1.71
    acetone 8.11
    n-butanol 1.7
    acetonitrile 4.35
    DMF 22.4
    toluene 1.57
    isobutanol 1.7
    1,4-dioxane 10.89
    methyl acetate 7.29
    THF 27.69
    2-butanone 8.35
    n-pentanol 2.16
    sec-butanol 1.21
    n-hexane 0.12
    ethylene glycol 1.68
    NMP 36.86
    cyclohexane 0.17
    DMSO 34.34
    n-butyl acetate 8.01
    n-octanol 2.36
    chloroform 11.96
    n-propyl acetate 6.67
    acetic acid 10.56
    dichloromethane 11.17
    cyclohexanone 18.34
    propylene glycol 1.09
    isopropyl acetate 4.92
    DMAc 39.26
    2-ethoxyethanol 7.96
    isopentanol 2.52
    n-heptane 0.16
    ethyl formate 5.28
    1,2-dichloroethane 9.42
    n-hexanol 2.94
    2-methoxyethanol 12.66
    isobutyl acetate 6.31
    tetrachloromethane 1.41
    n-pentyl acetate 6.99
    transcutol 15.29
    n-heptanol 2.93
    ethylbenzene 1.22
    MIBK 5.83
    2-propoxyethanol 16.97
    tert-butanol 2.6
    MTBE 1.71
    2-butoxyethanol 11.03
    propionic acid 4.55
    o-xylene 1.32
    formic acid 6.1
    diethyl ether 1.76
    m-xylene 1.5
    p-xylene 2.19
    chlorobenzene 3.35
    dimethyl carbonate 9.2
    n-octane 0.13
    formamide 8.75
    cyclopentanone 27.12
    2-pentanone 6.56
    anisole 3.27
    cyclopentyl methyl ether 5.6
    gamma-butyrolactone 31.64
    1-methoxy-2-propanol 8.67
    pyridine 10.57
    3-pentanone 5.99
    furfural 23.19
    n-dodecane 0.19
    diethylene glycol 18.32
    diisopropyl ether 0.82
    tert-amyl alcohol 2.03
    acetylacetone 11.99
    n-hexadecane 0.23
    acetophenone 7.31
    methyl propionate 7.68
    isopentyl acetate 8.73
    trichloroethylene 21.06
    n-nonanol 2.79
    cyclohexanol 2.87
    benzyl alcohol 4.77
    2-ethylhexanol 2.91
    isooctanol 2.92
    dipropyl ether 2.78
    1,2-dichlorobenzene 4.32
    ethyl lactate 6.3
    propylene carbonate 13.91
    n-methylformamide 7.87
    2-pentanol 1.1
    n-pentane 0.08
    1-propoxy-2-propanol 10.18
    1-methoxy-2-propyl acetate 12.66
    2-(2-methoxypropoxy) propanol 11.26
    mesitylene 1.0
    ε-caprolactone 15.15
    p-cymene 1.88
    epichlorohydrin 28.53
    1,1,1-trichloroethane 6.39
    2-aminoethanol 2.01
    morpholine-4-carbaldehyde 29.78
    sulfolane 48.92
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 8.6
    n-hexyl acetate 6.42
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 12.47
    sec-butyl acetate 4.78
    tert-butyl acetate 5.98
    decalin 0.23
    glycerin 5.35
    diglyme 21.36
    acrylic acid 7.0
    isopropyl myristate 3.62
    n-butyric acid 5.91
    acetyl acetate 5.92
    di(2-ethylhexyl) phthalate 6.45
    ethyl propionate 6.07
    nitromethane 24.1
    1,2-diethoxyethane 6.56
    benzonitrile 7.37
    trioctyl phosphate 4.77
    1-bromopropane 2.92
    gamma-valerolactone 36.57
    n-decanol 2.22
    triethyl phosphate 6.3
    4-methyl-2-pentanol 1.46
    propionitrile 5.06
    vinylene carbonate 13.6
    1,1,2-trichlorotrifluoroethane 28.51
    DMS 10.62
    cumene 1.2
    2-octanol 1.86
    2-hexanone 7.3
    octyl acetate 4.57
    limonene 2.24
    1,2-dimethoxyethane 15.41
    ethyl orthosilicate 5.36
    tributyl phosphate 5.32
    diacetone alcohol 10.12
    N,N-dimethylaniline 3.26
    acrylonitrile 8.98
    aniline 3.4
    1,3-propanediol 3.93
    bromobenzene 3.03
    dibromomethane 6.13
    1,1,2,2-tetrachloroethane 15.81
    2-methyl-cyclohexyl acetate 8.24
    tetrabutyl urea 7.98
    diisobutyl methanol 2.14
    2-phenylethanol 7.1
    styrene 1.26
    dioctyl adipate 6.45
    dimethyl sulfate 20.39
    ethyl butyrate 6.5
    methyl lactate 8.11
    butyl lactate 7.13
    diethyl carbonate 5.48
    propanediol butyl ether 6.8
    triethyl orthoformate 6.02
    p-tert-butyltoluene 1.59
    methyl 4-tert-butylbenzoate 10.1
    morpholine 11.61
    tert-butylamine 0.98
    n-dodecanol 1.78
    dimethoxymethane 14.9
    ethylene carbonate 11.8
    cyrene 16.36
    2-ethoxyethyl acetate 11.33
    2-ethylhexyl acetate 7.33
    1,2,4-trichlorobenzene 6.45
    4-methylpyridine 8.23
    dibutyl ether 2.44
    2,6-dimethyl-4-heptanol 2.14
    DEF 10.18
    dimethyl isosorbide 22.68
    tetrachloroethylene 10.71
    eugenol 11.14
    triacetin 10.4
    span 80 7.98
    1,4-butanediol 2.05
    1,1-dichloroethane 5.19
    2-methyl-1-pentanol 2.84
    methyl formate 8.84
    2-methyl-1-butanol 2.03
    n-decane 0.27
    butyronitrile 4.0
    3,7-dimethyl-1-octanol 2.7
    1-chlorooctane 1.35
    1-chlorotetradecane 0.8
    n-nonane 0.2
    undecane 0.22
    tert-butylcyclohexane 0.19
    cyclooctane 0.08
    cyclopentanol 3.83
    tetrahydropyran 5.76
    tert-amyl methyl ether 1.86
    2,5,8-trioxanonane 18.03
    1-hexene 0.58
    2-isopropoxyethanol 6.88
    2,2,2-trifluoroethanol 7.11
    methyl butyrate 7.97

    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