Coriandrone A

Overview IFRA Request a quote

  • Identifiers

    CAS number
    139906-03-9

    Molecular formula
    C16H20O5

    SMILES
    C[C@H]1CC2=CC(=C3C[C@H](OC3=C2C(=O)O1)C(C)(C)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 54.39%
    Floral 33.07%
    Vanilla 32.62%
    Powdery 32.41%
    Woody 32.29%
    Herbal 30.88%
    Creamy 30.04%
    Mint 28.83%
    Spicy 28.14%
    Phenolic 27.75%

     

    Flavor
    Bitter 79.49%
    Cedarleaf 21.15%
    Parsley 20.88%
    Ripe apricot 20.22%
    Red fruit 20.12%
    Sweet-like 19.61%
    Lovage 19.55%
    Bland 19.45%
    Old wood 19.24%
    Carrot 19.22%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    7.98 (neutral)

    Molecular weight
    292.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    592°C

    Flash point

    • 187.9 ˚C est.

  • Synonyms

    • DTXSID801317674
    • RefChem:919052
    • DTXCID001747479
    • 139906-03-9
    • Coriandrone A
    • 9H-Furo[3,2-h][2]benzopyran-9-one, 2,3,6,7-tetrahydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-7-methyl-, (2S,7S)-
    • (2S,7S)-2-(2-Hydroxypropan-2-yl)-4-methoxy-7-methyl-2,3,6,7-tetrahydro-9H-furo[3,2-h][2]benzopyran-9-one
    • (2S,7S)-2-(2-Hydroxypropan-2-yl)-4-methoxy-7-methyl-2,3,6,7-tetrahydrofuro[3,2-h]isochromen-9-one
    • 139906-03-9

  • Applications

    Coriandrone A (CAS 139906-03-9) is a coriander-derived aroma compound used in practical applications across fragrance and flavor development as well as cosmetics and household cleaning formulations; it is commonly evaluated as a fragrance raw material or aroma chemical and can serve as an intermediate in organic synthesis for aroma-related compounds. In industrial manufacturing, it may be employed as an intermediate for scent-related formulations, and in polymers/plastics or coatings contexts as a potential odorant modifier, depending on formulation goals and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 144.86
    methanol 215.66
    isopropanol 96.67
    water 0.98
    ethyl acetate 216.65
    n-propanol 125.77
    acetone 354.74
    n-butanol 122.07
    acetonitrile 214.12
    DMF 813.84
    toluene 62.51
    isobutanol 96.47
    1,4-dioxane 300.54
    methyl acetate 255.34
    THF 476.1
    2-butanone 257.55
    n-pentanol 79.35
    sec-butanol 91.16
    n-hexane 2.91
    ethylene glycol 91.57
    NMP 708.11
    cyclohexane 7.83
    DMSO 610.25
    n-butyl acetate 146.94
    n-octanol 40.04
    chloroform 882.68
    n-propyl acetate 142.28
    acetic acid 677.38
    dichloromethane 653.22
    cyclohexanone 336.08
    propylene glycol 96.77
    isopropyl acetate 151.24
    DMAc 760.61
    2-ethoxyethanol 220.21
    isopentanol 112.53
    n-heptane 2.07
    ethyl formate 223.74
    1,2-dichloroethane 386.7
    n-hexanol 80.7
    2-methoxyethanol 425.38
    isobutyl acetate 114.05
    tetrachloromethane 72.36
    n-pentyl acetate 105.83
    transcutol 557.06
    n-heptanol 44.95
    ethylbenzene 33.28
    MIBK 126.62
    2-propoxyethanol 251.99
    tert-butanol 109.11
    MTBE 86.97
    2-butoxyethanol 154.02
    propionic acid 259.66
    o-xylene 44.43
    formic acid 416.14
    diethyl ether 102.98
    m-xylene 45.01
    p-xylene 50.6
    chlorobenzene 160.14
    dimethyl carbonate 224.57
    n-octane 1.01
    formamide 511.15
    cyclopentanone 454.53
    2-pentanone 195.28
    anisole 108.64
    cyclopentyl methyl ether 163.27
    gamma-butyrolactone 602.87
    1-methoxy-2-propanol 270.47
    pyridine 299.35
    3-pentanone 162.61
    furfural 606.02
    n-dodecane 1.48
    diethylene glycol 256.01
    diisopropyl ether 30.24
    tert-amyl alcohol 94.27
    acetylacetone 302.41
    n-hexadecane 1.8
    acetophenone 158.26
    methyl propionate 228.52
    isopentyl acetate 142.13
    trichloroethylene 941.23
    n-nonanol 40.72
    cyclohexanol 128.9
    benzyl alcohol 130.47
    2-ethylhexanol 53.73
    isooctanol 39.76
    dipropyl ether 41.89
    1,2-dichlorobenzene 174.43
    ethyl lactate 125.5
    propylene carbonate 389.52
    n-methylformamide 438.52
    2-pentanol 68.47
    n-pentane 3.36
    1-propoxy-2-propanol 150.43
    1-methoxy-2-propyl acetate 209.11
    2-(2-methoxypropoxy) propanol 168.91
    mesitylene 25.84
    ε-caprolactone 356.65
    p-cymene 27.16
    epichlorohydrin 638.32
    1,1,1-trichloroethane 308.29
    2-aminoethanol 121.94
    morpholine-4-carbaldehyde 667.57
    sulfolane 667.73
    2,2,4-trimethylpentane 3.79
    2-methyltetrahydrofuran 259.2
    n-hexyl acetate 140.44
    isooctane 2.45
    2-(2-butoxyethoxy)ethanol 204.02
    sec-butyl acetate 105.35
    tert-butyl acetate 148.25
    decalin 5.46
    glycerin 223.04
    diglyme 401.72
    acrylic acid 332.05
    isopropyl myristate 49.91
    n-butyric acid 314.75
    acetyl acetate 249.53
    di(2-ethylhexyl) phthalate 75.82
    ethyl propionate 134.52
    nitromethane 934.19
    1,2-diethoxyethane 122.57
    benzonitrile 169.68
    trioctyl phosphate 53.83
    1-bromopropane 125.65
    gamma-valerolactone 704.05
    n-decanol 28.89
    triethyl phosphate 82.38
    4-methyl-2-pentanol 49.05
    propionitrile 146.71
    vinylene carbonate 420.1
    1,1,2-trichlorotrifluoroethane 711.5
    DMS 191.53
    cumene 26.22
    2-octanol 27.85
    2-hexanone 125.65
    octyl acetate 70.68
    limonene 34.61
    1,2-dimethoxyethane 303.36
    ethyl orthosilicate 71.15
    tributyl phosphate 71.74
    diacetone alcohol 177.43
    N,N-dimethylaniline 78.88
    acrylonitrile 238.92
    aniline 139.63
    1,3-propanediol 200.65
    bromobenzene 142.22
    dibromomethane 354.33
    1,1,2,2-tetrachloroethane 676.27
    2-methyl-cyclohexyl acetate 105.44
    tetrabutyl urea 89.05
    diisobutyl methanol 28.23
    2-phenylethanol 127.05
    styrene 43.28
    dioctyl adipate 89.49
    dimethyl sulfate 400.26
    ethyl butyrate 104.74
    methyl lactate 212.55
    butyl lactate 118.48
    diethyl carbonate 98.65
    propanediol butyl ether 157.09
    triethyl orthoformate 90.95
    p-tert-butyltoluene 26.0
    methyl 4-tert-butylbenzoate 130.57
    morpholine 372.21
    tert-butylamine 48.71
    n-dodecanol 20.8
    dimethoxymethane 340.97
    ethylene carbonate 332.86
    cyrene 203.65
    2-ethoxyethyl acetate 176.71
    2-ethylhexyl acetate 115.65
    1,2,4-trichlorobenzene 231.83
    4-methylpyridine 276.74
    dibutyl ether 38.61
    2,6-dimethyl-4-heptanol 28.23
    DEF 271.87
    dimethyl isosorbide 260.61
    tetrachloroethylene 391.03
    eugenol 131.11
    triacetin 184.99
    span 80 126.35
    1,4-butanediol 76.34
    1,1-dichloroethane 326.56
    2-methyl-1-pentanol 82.83
    methyl formate 384.67
    2-methyl-1-butanol 109.46
    n-decane 2.41
    butyronitrile 143.78
    3,7-dimethyl-1-octanol 45.93
    1-chlorooctane 20.13
    1-chlorotetradecane 8.41
    n-nonane 1.8
    undecane 1.81
    tert-butylcyclohexane 4.31
    cyclooctane 2.51
    cyclopentanol 139.75
    tetrahydropyran 212.62
    tert-amyl methyl ether 80.09
    2,5,8-trioxanonane 251.9
    1-hexene 16.71
    2-isopropoxyethanol 143.42
    2,2,2-trifluoroethanol 347.08
    methyl butyrate 176.1

    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