Coixinden A

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  • Identifiers

    CAS number
    149665-18-9

    Molecular formula
    C11H10O3

    SMILES
    COC1=CC2=C(C=C1)C(=O)C=C2OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 68.56%
    Vanilla 49.13%
    Floral 44.8%
    Powdery 41.89%
    Spicy 38.03%
    Phenolic 36.48%
    Creamy 33.86%
    Hay 30.84%
    Coumarinic 30.53%
    Aromatic 28.57%

     

    Flavor
    Bitter 79.56%
    Lovage 20.81%
    Parsley 19.91%
    Cedarleaf 18.8%
    Ripe apricot 18.77%
    Red fruit 18.64%
    Aniseed 18.46%
    Basil 18.21%
    Leaves 18.16%
    Sweet-like 18.11%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    6.11 (neutral)

    Molecular weight
    190.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    367°C

    Melting point expt.

    • 183 °C

    Flash point

    • 147.27 ˚C est.

  • Synonyms

    • Coixinden A
    • 3,5-dimethoxy-1H-inden-1-one
    • RefChem:127430
    • 3,5-dimethoxyinden-1-one
    • 149665-18-9
    • SCHEMBL9067171
    • SCHEMBL30492234
    • CHEBI:81379
    • DTXSID901309127
    • FC165746
    • C17916
    • Q27155317
    • 149665-18-9

  • Applications

    Coixinden A (CAS 149665-18-9) is regarded as an intermediate in organic synthesis and is being considered for fragrance and cosmetics applications as a building block or odor-active component; it is also studied for pharmaceutical research and as a precursor for analogs in medicinal chemistry; in the plastics and polymer industry it may serve as a building block; in coatings and inks it is examined as a functional additive or precursor for coating systems; these potential applications reflect its role as a specialty chemical in multiple industrial contexts.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.8
    methanol 20.94
    isopropanol 9.24
    water 0.65
    ethyl acetate 66.27
    n-propanol 10.18
    acetone 70.65
    n-butanol 9.38
    acetonitrile 83.11
    DMF 138.85
    toluene 42.08
    isobutanol 8.77
    1,4-dioxane 165.73
    methyl acetate 95.31
    THF 125.42
    2-butanone 55.74
    n-pentanol 8.62
    sec-butanol 8.33
    n-hexane 1.25
    ethylene glycol 23.51
    NMP 172.6
    cyclohexane 5.43
    DMSO 148.84
    n-butyl acetate 36.53
    n-octanol 8.07
    chloroform 228.98
    n-propyl acetate 42.9
    acetic acid 57.35
    dichloromethane 253.1
    cyclohexanone 87.41
    propylene glycol 9.07
    isopropyl acetate 39.46
    DMAc 198.5
    2-ethoxyethanol 42.15
    isopentanol 12.09
    n-heptane 1.75
    ethyl formate 48.34
    1,2-dichloroethane 154.78
    n-hexanol 12.33
    2-methoxyethanol 71.45
    isobutyl acetate 29.81
    tetrachloromethane 31.19
    n-pentyl acetate 19.5
    transcutol 130.76
    n-heptanol 8.28
    ethylbenzene 28.52
    MIBK 29.48
    2-propoxyethanol 44.65
    tert-butanol 22.44
    MTBE 22.31
    2-butoxyethanol 27.64
    propionic acid 33.06
    o-xylene 36.02
    formic acid 42.41
    diethyl ether 27.51
    m-xylene 29.49
    p-xylene 37.31
    chlorobenzene 78.61
    dimethyl carbonate 73.09
    n-octane 0.91
    formamide 93.66
    cyclopentanone 120.04
    2-pentanone 35.93
    anisole 79.22
    cyclopentyl methyl ether 49.62
    gamma-butyrolactone 167.88
    1-methoxy-2-propanol 37.7
    pyridine 139.25
    3-pentanone 45.57
    furfural 201.61
    n-dodecane 1.19
    diethylene glycol 64.22
    diisopropyl ether 11.47
    tert-amyl alcohol 15.74
    acetylacetone 96.03
    n-hexadecane 1.46
    acetophenone 79.33
    methyl propionate 64.0
    isopentyl acetate 36.45
    trichloroethylene 322.43
    n-nonanol 8.83
    cyclohexanol 20.54
    benzyl alcohol 47.74
    2-ethylhexanol 13.43
    isooctanol 8.58
    dipropyl ether 18.47
    1,2-dichlorobenzene 85.52
    ethyl lactate 28.79
    propylene carbonate 92.32
    n-methylformamide 69.71
    2-pentanol 6.96
    n-pentane 0.95
    1-propoxy-2-propanol 28.12
    1-methoxy-2-propyl acetate 57.39
    2-(2-methoxypropoxy) propanol 46.92
    mesitylene 19.44
    ε-caprolactone 82.46
    p-cymene 17.25
    epichlorohydrin 186.44
    1,1,1-trichloroethane 115.47
    2-aminoethanol 18.34
    morpholine-4-carbaldehyde 191.57
    sulfolane 168.57
    2,2,4-trimethylpentane 1.55
    2-methyltetrahydrofuran 73.21
    n-hexyl acetate 26.22
    isooctane 0.99
    2-(2-butoxyethoxy)ethanol 44.07
    sec-butyl acetate 32.79
    tert-butyl acetate 45.88
    decalin 5.3
    glycerin 33.61
    diglyme 121.71
    acrylic acid 50.85
    isopropyl myristate 16.29
    n-butyric acid 32.94
    acetyl acetate 82.27
    di(2-ethylhexyl) phthalate 21.83
    ethyl propionate 47.34
    nitromethane 195.18
    1,2-diethoxyethane 40.12
    benzonitrile 68.49
    trioctyl phosphate 12.74
    1-bromopropane 35.85
    gamma-valerolactone 163.07
    n-decanol 7.49
    triethyl phosphate 35.74
    4-methyl-2-pentanol 7.62
    propionitrile 42.74
    vinylene carbonate 109.36
    1,1,2-trichlorotrifluoroethane 145.99
    DMS 64.37
    cumene 19.83
    2-octanol 5.55
    2-hexanone 33.58
    octyl acetate 17.52
    limonene 19.63
    1,2-dimethoxyethane 105.05
    ethyl orthosilicate 30.72
    tributyl phosphate 17.85
    diacetone alcohol 44.98
    N,N-dimethylaniline 52.39
    acrylonitrile 80.61
    aniline 61.58
    1,3-propanediol 23.73
    bromobenzene 87.39
    dibromomethane 124.48
    1,1,2,2-tetrachloroethane 198.55
    2-methyl-cyclohexyl acetate 39.03
    tetrabutyl urea 24.88
    diisobutyl methanol 10.82
    2-phenylethanol 41.12
    styrene 38.59
    dioctyl adipate 28.89
    dimethyl sulfate 128.69
    ethyl butyrate 40.54
    methyl lactate 41.64
    butyl lactate 18.76
    diethyl carbonate 43.72
    propanediol butyl ether 19.99
    triethyl orthoformate 34.48
    p-tert-butyltoluene 15.84
    methyl 4-tert-butylbenzoate 49.09
    morpholine 118.19
    tert-butylamine 12.4
    n-dodecanol 6.64
    dimethoxymethane 93.72
    ethylene carbonate 82.65
    cyrene 65.24
    2-ethoxyethyl acetate 41.89
    2-ethylhexyl acetate 31.67
    1,2,4-trichlorobenzene 106.99
    4-methylpyridine 103.48
    dibutyl ether 14.34
    2,6-dimethyl-4-heptanol 10.82
    DEF 67.28
    dimethyl isosorbide 94.32
    tetrachloroethylene 140.98
    eugenol 47.94
    triacetin 52.07
    span 80 27.6
    1,4-butanediol 10.17
    1,1-dichloroethane 91.38
    2-methyl-1-pentanol 12.08
    methyl formate 79.09
    2-methyl-1-butanol 10.3
    n-decane 1.68
    butyronitrile 28.66
    3,7-dimethyl-1-octanol 11.67
    1-chlorooctane 8.87
    1-chlorotetradecane 5.15
    n-nonane 1.35
    undecane 1.37
    tert-butylcyclohexane 3.8
    cyclooctane 2.08
    cyclopentanol 23.12
    tetrahydropyran 62.74
    tert-amyl methyl ether 19.85
    2,5,8-trioxanonane 91.64
    1-hexene 5.55
    2-isopropoxyethanol 31.23
    2,2,2-trifluoroethanol 54.38
    methyl butyrate 51.89

    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