Coixinden B

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  • Identifiers

    CAS number
    151466-74-9

    Molecular formula
    C13H14O4

    SMILES
    CC(=O)C1(C=C(C2=C1C=CC(=C2)OC)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 65.05%
    Vanilla 49.92%
    Floral 40.67%
    Powdery 39.77%
    Creamy 37.29%
    Fruity 29.25%
    Balsamic 29.07%
    Caramellic 28.7%
    Spicy 24.92%
    Milky 24.59%

     

    Flavor
    Bitter 70.94%
    Odorless 25.08%
    Bland 23.6%
    Sweet-like 21.12%
    Parsley 20.46%
    Ethyl benzoate 19.63%
    Ripe apricot 19.45%
    Lovage 19.39%
    Orange flower 19.36%
    Aniseed 19.34%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    7.06 (neutral)

    Molecular weight
    234.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    376°C

    Flash point

    • 161.54 ˚C est.

  • Synonyms

    • Coixinden B
    • 1-(1-hydroxy-3,5-dimethoxyinden-1-yl)ethanone
    • 1-(1-hydroxy-3,5-dimethoxy-1H-inden-1-yl)ethan-1-one
    • RefChem:937647
    • GlyTouCan:G87784DO
    • G87784DO
    • 151466-74-9
    • SCHEMBL9066332
    • CHEBI:81380
    • DTXSID201216917
    • FC165745
    • 1-Acetyl-1-hydroxy-3,5-dimethoxy-1H-indene
    • C17917
    • Q27155318
    • Ethanone, 1-(1-hydroxy-3,5-dimethoxy-1H-inden-1-yl)-
    • 151466-74-9

  • Applications

    Coixinden B (CAS 151466-74-9) is an organic compound that may serve as an intermediate in organic synthesis and could be used as a precursor for the preparation of more complex molecules, including pharmaceutical and agrochemical derivatives. It also may be considered for fragrance and flavor applications as an aroma intermediate or ingredient, potentially in perfumery and flavor formulations at appropriate concentrations. In cosmetics and personal care, it could function as an aroma component or specialty additive. It may also find use as a building block for coatings, inks, and plastics formulations, where it can participate in polymerization or serve as a starting material for functionalized monomers. In research and development, it may be employed as an analytical reference compound or for exploratory studies on structure–activity relationships. All potential uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.1
    methanol 27.62
    isopropanol 11.88
    water 0.34
    ethyl acetate 55.13
    n-propanol 11.7
    acetone 71.35
    n-butanol 9.88
    acetonitrile 51.27
    DMF 151.82
    toluene 25.2
    isobutanol 9.33
    1,4-dioxane 143.94
    methyl acetate 76.01
    THF 168.17
    2-butanone 52.36
    n-pentanol 8.86
    sec-butanol 9.28
    n-hexane 0.54
    ethylene glycol 21.47
    NMP 121.37
    cyclohexane 2.5
    DMSO 172.89
    n-butyl acetate 32.15
    n-octanol 10.3
    chloroform 144.7
    n-propyl acetate 41.21
    acetic acid 52.56
    dichloromethane 153.69
    cyclohexanone 82.99
    propylene glycol 8.69
    isopropyl acetate 35.52
    DMAc 184.05
    2-ethoxyethanol 49.69
    isopentanol 13.35
    n-heptane 0.82
    ethyl formate 42.16
    1,2-dichloroethane 94.09
    n-hexanol 14.63
    2-methoxyethanol 89.75
    isobutyl acetate 28.41
    tetrachloromethane 17.55
    n-pentyl acetate 22.62
    transcutol 81.04
    n-heptanol 11.26
    ethylbenzene 18.72
    MIBK 30.53
    2-propoxyethanol 54.1
    tert-butanol 32.61
    MTBE 22.61
    2-butoxyethanol 32.69
    propionic acid 26.37
    o-xylene 22.39
    formic acid 42.99
    diethyl ether 22.29
    m-xylene 16.72
    p-xylene 28.44
    chlorobenzene 44.49
    dimethyl carbonate 65.27
    n-octane 0.67
    formamide 88.69
    cyclopentanone 119.6
    2-pentanone 36.51
    anisole 61.99
    cyclopentyl methyl ether 40.53
    gamma-butyrolactone 145.25
    1-methoxy-2-propanol 48.3
    pyridine 94.35
    3-pentanone 39.55
    furfural 144.2
    n-dodecane 0.91
    diethylene glycol 69.06
    diisopropyl ether 8.39
    tert-amyl alcohol 19.62
    acetylacetone 84.35
    n-hexadecane 1.08
    acetophenone 66.82
    methyl propionate 54.47
    isopentyl acetate 33.66
    trichloroethylene 188.38
    n-nonanol 11.45
    cyclohexanol 20.45
    benzyl alcohol 42.67
    2-ethylhexanol 13.21
    isooctanol 11.19
    dipropyl ether 14.76
    1,2-dichlorobenzene 52.53
    ethyl lactate 26.63
    propylene carbonate 72.29
    n-methylformamide 62.42
    2-pentanol 7.15
    n-pentane 0.39
    1-propoxy-2-propanol 30.0
    1-methoxy-2-propyl acetate 50.01
    2-(2-methoxypropoxy) propanol 42.05
    mesitylene 11.67
    ε-caprolactone 72.97
    p-cymene 12.59
    epichlorohydrin 160.48
    1,1,1-trichloroethane 70.0
    2-aminoethanol 18.75
    morpholine-4-carbaldehyde 162.63
    sulfolane 145.17
    2,2,4-trimethylpentane 0.86
    2-methyltetrahydrofuran 61.32
    n-hexyl acetate 28.06
    isooctane 0.61
    2-(2-butoxyethoxy)ethanol 42.47
    sec-butyl acetate 29.61
    tert-butyl acetate 43.68
    decalin 2.68
    glycerin 34.31
    diglyme 105.33
    acrylic acid 34.87
    isopropyl myristate 15.47
    n-butyric acid 30.74
    acetyl acetate 60.86
    di(2-ethylhexyl) phthalate 20.98
    ethyl propionate 40.38
    nitromethane 157.14
    1,2-diethoxyethane 32.25
    benzonitrile 53.22
    trioctyl phosphate 13.49
    1-bromopropane 22.46
    gamma-valerolactone 148.97
    n-decanol 9.02
    triethyl phosphate 27.79
    4-methyl-2-pentanol 8.63
    propionitrile 35.78
    vinylene carbonate 81.83
    1,1,2-trichlorotrifluoroethane 109.75
    DMS 51.2
    cumene 13.68
    2-octanol 7.7
    2-hexanone 33.5
    octyl acetate 17.8
    limonene 14.29
    1,2-dimethoxyethane 114.39
    ethyl orthosilicate 24.82
    tributyl phosphate 15.99
    diacetone alcohol 49.27
    N,N-dimethylaniline 41.37
    acrylonitrile 60.69
    aniline 43.02
    1,3-propanediol 29.38
    bromobenzene 44.65
    dibromomethane 74.18
    1,1,2,2-tetrachloroethane 123.57
    2-methyl-cyclohexyl acetate 34.37
    tetrabutyl urea 23.56
    diisobutyl methanol 10.15
    2-phenylethanol 39.93
    styrene 23.52
    dioctyl adipate 25.61
    dimethyl sulfate 106.15
    ethyl butyrate 32.61
    methyl lactate 38.15
    butyl lactate 19.65
    diethyl carbonate 31.85
    propanediol butyl ether 21.52
    triethyl orthoformate 27.08
    p-tert-butyltoluene 11.86
    methyl 4-tert-butylbenzoate 46.92
    morpholine 109.02
    tert-butylamine 12.96
    n-dodecanol 7.17
    dimethoxymethane 114.41
    ethylene carbonate 66.57
    cyrene 60.99
    2-ethoxyethyl acetate 41.96
    2-ethylhexyl acetate 26.89
    1,2,4-trichlorobenzene 61.42
    4-methylpyridine 80.88
    dibutyl ether 12.08
    2,6-dimethyl-4-heptanol 10.15
    DEF 59.84
    dimethyl isosorbide 82.54
    tetrachloroethylene 87.35
    eugenol 45.99
    triacetin 44.97
    span 80 27.09
    1,4-butanediol 12.01
    1,1-dichloroethane 59.71
    2-methyl-1-pentanol 12.35
    methyl formate 72.49
    2-methyl-1-butanol 10.49
    n-decane 1.42
    butyronitrile 24.2
    3,7-dimethyl-1-octanol 11.89
    1-chlorooctane 7.8
    1-chlorotetradecane 3.92
    n-nonane 1.09
    undecane 1.11
    tert-butylcyclohexane 2.04
    cyclooctane 0.92
    cyclopentanol 22.82
    tetrahydropyran 58.59
    tert-amyl methyl ether 18.18
    2,5,8-trioxanonane 79.38
    1-hexene 3.33
    2-isopropoxyethanol 35.97
    2,2,2-trifluoroethanol 41.83
    methyl butyrate 48.2

    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