4,9-Bis[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one

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  • Identifiers

    CAS number
    14348-21-1

    Molecular formula
    C21H22O5

    SMILES
    CC(=CCOC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OCC=C(C)C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 54.23%
    Herbal 37.19%
    Spicy 35.58%
    Floral 34.69%
    Sweet 28.92%
    Woody 27.06%
    Berry 25.95%
    Dry 24.4%
    Mint 21.76%
    Balsamic 21.44%

     

    Flavor
    Bitter 71.35%
    Parsley 21.03%
    Lovage 19.51%
    Heather 19.26%
    Cedarleaf 19.11%
    Broom 18.92%
    Genet 18.85%
    Ripe apricot 18.69%
    Eugenol 18.61%
    Ethyl benzoate 18.5%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    8.19 (weak base)

    Molecular weight
    354.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    561°C

    Flash point

    • 223.79 ˚C est.

  • Synonyms

    • 14348-21-1
    • 4,9-Bis((3-methylbut-2-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one
    • 4,9-BIS[(3-METHYLBUT-2-EN-1-YL)OXY]-7H-FURO[3,2-G]CHROMEN-7-ONE
    • 4,9-Bis((3-methylbut-2-en-1-yl)oxy)-7H-furo(3,2-g)chromen-7-one
    • RefChem:508407
    • 112-408-7
    • cnidicin
    • 4,9-Bis[(3-methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one
    • 4,9-bis(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one
    • CHEMBL1710181
    • MFCD32197347
    • Cnidicin (Standard)
    • MLS002472889
    • orb1297418
    • SCHEMBL31315053
    • HY-N4207R
    • HMS2268M22
    • HY-N4207
    • BDBM50361392
    • AKOS040760343
    • EBC-615776
    • DA-62429
    • MS-25525
    • SMR001397000
    • CS-0032431
    • G16930
    • 14348-21-1

  • Applications

    Chemical name: 4,9-Bis[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one; CAS number: 14348-21-1. In perfumery and cosmetics, this compound may be used as a fragrance ingredient or fixative, leveraging its isoprenyl-like substituents to influence volatility and scent profile. It is also encountered as a synthetic intermediate in chemical research for chromone-based derivatives and may serve as a building block for polymer or coating-related materials. Additional potential applications include use as a scaffold in pharmaceutical or materials science research, while any implementation should be conducted in compliance with local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.25
    methanol 11.86
    isopropanol 16.69
    water 0.01
    ethyl acetate 114.73
    n-propanol 24.93
    acetone 108.2
    n-butanol 25.32
    acetonitrile 53.29
    DMF 195.66
    toluene 86.95
    isobutanol 25.96
    1,4-dioxane 83.42
    methyl acetate 134.0
    THF 248.0
    2-butanone 139.73
    n-pentanol 25.23
    sec-butanol 31.41
    n-hexane 4.44
    ethylene glycol 5.21
    NMP 325.17
    cyclohexane 7.25
    DMSO 146.23
    n-butyl acetate 82.66
    n-octanol 12.63
    chloroform 642.78
    n-propyl acetate 80.08
    acetic acid 117.85
    dichloromethane 583.4
    cyclohexanone 202.76
    propylene glycol 11.42
    isopropyl acetate 76.1
    DMAc 365.18
    2-ethoxyethanol 52.91
    isopentanol 34.06
    n-heptane 3.04
    ethyl formate 57.79
    1,2-dichloroethane 312.06
    n-hexanol 27.63
    2-methoxyethanol 68.45
    isobutyl acetate 58.01
    tetrachloromethane 40.94
    n-pentyl acetate 55.83
    transcutol 232.41
    n-heptanol 15.35
    ethylbenzene 40.96
    MIBK 69.89
    2-propoxyethanol 79.01
    tert-butanol 28.55
    MTBE 46.55
    2-butoxyethanol 48.63
    propionic acid 75.9
    o-xylene 51.28
    formic acid 24.91
    diethyl ether 48.85
    m-xylene 50.29
    p-xylene 55.79
    chlorobenzene 135.98
    dimethyl carbonate 94.5
    n-octane 1.53
    formamide 48.85
    cyclopentanone 259.22
    2-pentanone 110.05
    anisole 76.78
    cyclopentyl methyl ether 117.45
    gamma-butyrolactone 281.33
    1-methoxy-2-propanol 63.5
    pyridine 197.54
    3-pentanone 111.72
    furfural 216.22
    n-dodecane 1.49
    diethylene glycol 46.57
    diisopropyl ether 17.66
    tert-amyl alcohol 42.75
    acetylacetone 147.51
    n-hexadecane 1.76
    acetophenone 99.62
    methyl propionate 133.34
    isopentyl acetate 84.29
    trichloroethylene 767.49
    n-nonanol 15.04
    cyclohexanol 48.88
    benzyl alcohol 65.06
    2-ethylhexanol 27.34
    isooctanol 16.55
    dipropyl ether 30.73
    1,2-dichlorobenzene 130.98
    ethyl lactate 50.31
    propylene carbonate 160.92
    n-methylformamide 66.2
    2-pentanol 25.41
    n-pentane 3.68
    1-propoxy-2-propanol 62.57
    1-methoxy-2-propyl acetate 107.47
    2-(2-methoxypropoxy) propanol 85.43
    mesitylene 23.47
    ε-caprolactone 181.29
    p-cymene 24.61
    epichlorohydrin 404.06
    1,1,1-trichloroethane 245.29
    2-aminoethanol 13.81
    morpholine-4-carbaldehyde 211.79
    sulfolane 323.46
    2,2,4-trimethylpentane 4.65
    2-methyltetrahydrofuran 158.87
    n-hexyl acetate 62.04
    isooctane 2.31
    2-(2-butoxyethoxy)ethanol 86.51
    sec-butyl acetate 64.2
    tert-butyl acetate 78.86
    decalin 6.76
    glycerin 22.57
    diglyme 156.91
    acrylic acid 84.43
    isopropyl myristate 26.37
    n-butyric acid 96.86
    acetyl acetate 97.98
    di(2-ethylhexyl) phthalate 39.63
    ethyl propionate 81.38
    nitromethane 234.34
    1,2-diethoxyethane 69.1
    benzonitrile 76.01
    trioctyl phosphate 22.95
    1-bromopropane 134.73
    gamma-valerolactone 269.97
    n-decanol 11.68
    triethyl phosphate 47.21
    4-methyl-2-pentanol 20.17
    propionitrile 50.07
    vinylene carbonate 161.12
    1,1,2-trichlorotrifluoroethane 281.9
    DMS 111.4
    cumene 26.12
    2-octanol 12.0
    2-hexanone 74.0
    octyl acetate 35.46
    limonene 33.64
    1,2-dimethoxyethane 96.84
    ethyl orthosilicate 43.4
    tributyl phosphate 33.87
    diacetone alcohol 87.35
    N,N-dimethylaniline 56.49
    acrylonitrile 76.56
    aniline 93.24
    1,3-propanediol 23.48
    bromobenzene 157.53
    dibromomethane 342.07
    1,1,2,2-tetrachloroethane 513.44
    2-methyl-cyclohexyl acetate 69.17
    tetrabutyl urea 44.52
    diisobutyl methanol 16.85
    2-phenylethanol 62.72
    styrene 53.37
    dioctyl adipate 51.23
    dimethyl sulfate 174.99
    ethyl butyrate 62.75
    methyl lactate 70.19
    butyl lactate 51.94
    diethyl carbonate 53.03
    propanediol butyl ether 39.86
    triethyl orthoformate 51.78
    p-tert-butyltoluene 21.74
    methyl 4-tert-butylbenzoate 78.2
    morpholine 122.43
    tert-butylamine 17.44
    n-dodecanol 9.42
    dimethoxymethane 110.08
    ethylene carbonate 120.01
    cyrene 85.45
    2-ethoxyethyl acetate 95.55
    2-ethylhexyl acetate 74.28
    1,2,4-trichlorobenzene 174.95
    4-methylpyridine 184.59
    dibutyl ether 23.92
    2,6-dimethyl-4-heptanol 16.85
    DEF 139.27
    dimethyl isosorbide 140.8
    tetrachloroethylene 279.12
    eugenol 70.06
    triacetin 90.11
    span 80 56.63
    1,4-butanediol 11.19
    1,1-dichloroethane 250.86
    2-methyl-1-pentanol 38.39
    methyl formate 61.84
    2-methyl-1-butanol 38.91
    n-decane 2.31
    butyronitrile 47.38
    3,7-dimethyl-1-octanol 20.72
    1-chlorooctane 14.15
    1-chlorotetradecane 6.55
    n-nonane 1.94
    undecane 1.78
    tert-butylcyclohexane 5.08
    cyclooctane 2.69
    cyclopentanol 52.89
    tetrahydropyran 98.56
    tert-amyl methyl ether 53.02
    2,5,8-trioxanonane 118.33
    1-hexene 21.7
    2-isopropoxyethanol 49.6
    2,2,2-trifluoroethanol 56.12
    methyl butyrate 99.44

    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