Coriandrone C

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  • Identifiers

    CAS number
    177795-32-3

    Molecular formula
    C13H10O5

    SMILES
    COC1=C2C(=CC3=C1C=CO3)C=C(OC2=O)CO

    Safety labels

  • Odor profile

    Fragrance
    Sweet 54.8%
    Vanilla 36.91%
    Fruity 35.41%
    Caramellic 33.16%
    Creamy 33.16%
    Powdery 31.14%
    Floral 28.62%
    Burnt 27.05%
    Balsamic 26.56%
    Coumarinic 26.03%

     

    Flavor
    Bitter 77.52%
    Odorless 22.88%
    Sweet-like 20.82%
    Parsley 20.51%
    Cardboard 20.19%
    Bread crust 20.12%
    Eugenol 19.91%
    Lovage 19.75%
    Cedarleaf 19.74%
    Heliotropin 19.68%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    6.91 (neutral)

    Molecular weight
    246.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    697°C

    Melting point expt.

    • 142 - 143 °C

    Flash point

    • 229.07 ˚C est.

  • Synonyms

    • Coriandrone C
    • CHEBI:174270
    • DTXSID801181449
    • 7-(Hydroxymethyl)-4-methoxy-5H-furo[2,3-g][2]benzopyran-5-one
    • 7-(hydroxymethyl)-4-methoxyuro[2,3-g]isochromen-5-one
    • 7-Hydroxymethyl-4-methoxy-5H-furo[2,3-g][2]benzopyran-5-one
    • 177795-32-3
    • 177795-32-3

  • Applications

    Coriandrone C (CAS 177795-32-3) is primarily used as an aroma chemical in the fragrance and flavor sectors, contributing coriander-like notes to perfumery and to flavor applications. It is commonly evaluated as a fragrance ingredient for cosmetics and personal care products, and is sometimes incorporated in household cleaning formulations to impart a herbaceous scent. In industrial manufacturing, it can serve as an intermediate or building block in the synthesis of more complex aroma compounds for use in a range of product categories. Usage is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.05
    methanol 4.67
    isopropanol 2.77
    water 0.06
    ethyl acetate 6.8
    n-propanol 2.67
    acetone 14.23
    n-butanol 3.15
    acetonitrile 6.46
    DMF 57.77
    toluene 1.41
    isobutanol 2.98
    1,4-dioxane 13.33
    methyl acetate 10.21
    THF 30.6
    2-butanone 11.23
    n-pentanol 3.01
    sec-butanol 2.65
    n-hexane 0.1
    ethylene glycol 5.75
    NMP 53.79
    cyclohexane 0.18
    DMSO 74.56
    n-butyl acetate 8.91
    n-octanol 3.4
    chloroform 7.64
    n-propyl acetate 7.97
    acetic acid 9.84
    dichloromethane 10.24
    cyclohexanone 19.47
    propylene glycol 2.53
    isopropyl acetate 5.98
    DMAc 78.46
    2-ethoxyethanol 13.65
    isopentanol 4.67
    n-heptane 0.21
    ethyl formate 6.72
    1,2-dichloroethane 11.3
    n-hexanol 4.26
    2-methoxyethanol 24.9
    isobutyl acetate 6.63
    tetrachloromethane 1.42
    n-pentyl acetate 6.67
    transcutol 22.8
    n-heptanol 3.94
    ethylbenzene 1.67
    MIBK 8.42
    2-propoxyethanol 20.17
    tert-butanol 5.76
    MTBE 3.55
    2-butoxyethanol 12.65
    propionic acid 5.74
    o-xylene 2.14
    formic acid 11.13
    diethyl ether 3.03
    m-xylene 1.74
    p-xylene 2.58
    chlorobenzene 3.83
    dimethyl carbonate 13.37
    n-octane 0.17
    formamide 19.78
    cyclopentanone 27.8
    2-pentanone 9.04
    anisole 6.4
    cyclopentyl methyl ether 8.85
    gamma-butyrolactone 29.51
    1-methoxy-2-propanol 16.04
    pyridine 11.16
    3-pentanone 8.31
    furfural 31.87
    n-dodecane 0.29
    diethylene glycol 28.93
    diisopropyl ether 1.31
    tert-amyl alcohol 4.98
    acetylacetone 15.45
    n-hexadecane 0.35
    acetophenone 11.19
    methyl propionate 10.12
    isopentyl acetate 10.12
    trichloroethylene 18.24
    n-nonanol 3.88
    cyclohexanol 4.83
    benzyl alcohol 7.53
    2-ethylhexanol 4.46
    isooctanol 4.05
    dipropyl ether 3.82
    1,2-dichlorobenzene 5.76
    ethyl lactate 9.14
    propylene carbonate 15.21
    n-methylformamide 16.74
    2-pentanol 2.4
    n-pentane 0.09
    1-propoxy-2-propanol 13.34
    1-methoxy-2-propyl acetate 14.68
    2-(2-methoxypropoxy) propanol 16.6
    mesitylene 1.5
    ε-caprolactone 16.02
    p-cymene 3.1
    epichlorohydrin 31.92
    1,1,1-trichloroethane 5.66
    2-aminoethanol 5.36
    morpholine-4-carbaldehyde 44.94
    sulfolane 54.38
    2,2,4-trimethylpentane 0.21
    2-methyltetrahydrofuran 11.07
    n-hexyl acetate 7.4
    isooctane 0.14
    2-(2-butoxyethoxy)ethanol 15.79
    sec-butyl acetate 5.44
    tert-butyl acetate 8.5
    decalin 0.34
    glycerin 13.34
    diglyme 30.5
    acrylic acid 8.75
    isopropyl myristate 4.62
    n-butyric acid 7.34
    acetyl acetate 6.29
    di(2-ethylhexyl) phthalate 7.2
    ethyl propionate 7.9
    nitromethane 27.83
    1,2-diethoxyethane 7.91
    benzonitrile 9.04
    trioctyl phosphate 5.57
    1-bromopropane 3.26
    gamma-valerolactone 37.06
    n-decanol 3.21
    triethyl phosphate 8.81
    4-methyl-2-pentanol 2.84
    propionitrile 6.18
    vinylene carbonate 15.88
    1,1,2-trichlorotrifluoroethane 33.17
    DMS 12.65
    cumene 1.93
    2-octanol 2.75
    2-hexanone 9.34
    octyl acetate 5.72
    limonene 3.61
    1,2-dimethoxyethane 27.54
    ethyl orthosilicate 7.63
    tributyl phosphate 6.43
    diacetone alcohol 16.08
    N,N-dimethylaniline 6.8
    acrylonitrile 11.29
    aniline 5.24
    1,3-propanediol 8.59
    bromobenzene 2.99
    dibromomethane 5.28
    1,1,2,2-tetrachloroethane 15.51
    2-methyl-cyclohexyl acetate 9.92
    tetrabutyl urea 10.08
    diisobutyl methanol 3.47
    2-phenylethanol 9.65
    styrene 1.76
    dioctyl adipate 7.72
    dimethyl sulfate 32.38
    ethyl butyrate 7.79
    methyl lactate 13.85
    butyl lactate 8.1
    diethyl carbonate 7.15
    propanediol butyl ether 9.03
    triethyl orthoformate 7.76
    p-tert-butyltoluene 2.72
    methyl 4-tert-butylbenzoate 13.58
    morpholine 16.09
    tert-butylamine 2.58
    n-dodecanol 2.64
    dimethoxymethane 26.49
    ethylene carbonate 12.65
    cyrene 21.73
    2-ethoxyethyl acetate 10.4
    2-ethylhexyl acetate 8.35
    1,2,4-trichlorobenzene 7.74
    4-methylpyridine 10.43
    dibutyl ether 3.48
    2,6-dimethyl-4-heptanol 3.47
    DEF 16.73
    dimethyl isosorbide 27.7
    tetrachloroethylene 11.61
    eugenol 15.46
    triacetin 10.88
    span 80 10.17
    1,4-butanediol 4.04
    1,1-dichloroethane 5.08
    2-methyl-1-pentanol 4.18
    methyl formate 16.43
    2-methyl-1-butanol 3.94
    n-decane 0.39
    butyronitrile 5.41
    3,7-dimethyl-1-octanol 4.04
    1-chlorooctane 2.06
    1-chlorotetradecane 1.18
    n-nonane 0.28
    undecane 0.33
    tert-butylcyclohexane 0.28
    cyclooctane 0.1
    cyclopentanol 5.68
    tetrahydropyran 6.98
    tert-amyl methyl ether 4.19
    2,5,8-trioxanonane 25.29
    1-hexene 0.65
    2-isopropoxyethanol 10.04
    2,2,2-trifluoroethanol 11.12
    methyl butyrate 10.72

    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