Coriandrin

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  • Identifiers

    CAS number
    116408-80-1

    Molecular formula
    C13H10O4

    SMILES
    CC1=CC2=CC3=C(C=CO3)C(=C2C(=O)O1)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 50.16%
    Phenolic 38.26%
    Burnt 33.24%
    Nutty 33.15%
    Powdery 30.97%
    Coumarinic 30.73%
    Vanilla 30.48%
    Creamy 26.85%
    Roasted 26.65%
    Coconut 26.39%

     

    Flavor
    Bitter 80.31%
    Parsley 20.91%
    Eugenol 20.17%
    Cedarleaf 20.05%
    Very strong 20.05%
    Bread crust 19.84%
    Indole 19.78%
    Ripe apricot 19.64%
    Lovage 19.59%
    Soybean 19.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    5.94 (weak acid)

    Molecular weight
    230.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    467°C

    Melting point expt.

    • 142 - 143 °C

    Flash point

    • 193.09 ˚C est.

  • Synonyms

    • Coriandrin
    • 116408-80-1
    • 4-methoxy-7-methylfuro[2,3-g]isochromen-5-one
    • 4-Methoxy-7-methyl-5H-furo(2,3-g)benzopyran-5-one
    • DTXSID00151389
    • 4-METHOXY-7-METHYL-5H-FURO[2,3-G]ISOCHROMEN-5-ONE
    • 5H-Furo(2,3-g)(2)benzopyran-5-one, 4-methoxy-7-methyl-
    • 4-methoxy-7-methylfuro(2,3-g)isochromen-5-one
    • 4-methoxy-7-methyl-5H-furo(2,3-g)isochromen-5-one
    • RefChem:128029
    • DTXCID9073880
    • 4-Methoxy-7-methyl-5H-furo[2,3-g][2]benzopyran-5-one
    • 4-Methoxy-7-methyl-5H-Furo(2,3-g)(2)benzopyran-5-one
    • CCRIS 8086
    • CARIANDRIN
    • orb2279312
    • SCHEMBL29405339
    • CHEBI:174178
    • AKOS040736239
    • 4-methoxy-7-methyluro[2,3-g]isochromen-5-one
    • Q1132748
    • 4-Methoxy-7-methyl-5H-furo[2,3-g][2]benzopyran-5-one, 9CI
    • 116408-80-1

  • Applications

    Coriandrin (CAS 116408-80-1) is typically used as a fragrance/odorant ingredient in perfumery and cosmetics; it may serve as an intermediate in organic synthesis for aroma-related compounds; it finds application in household products such as air fresheners and cleaners to impart a fragrance; it may be evaluated for use as a flavor/aroma component in limited food processing contexts; in industrial manufacturing, it can act as a chemical precursor for further aroma chemical syntheses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.28
    methanol 10.13
    isopropanol 5.62
    water 0.12
    ethyl acetate 17.16
    n-propanol 6.9
    acetone 26.36
    n-butanol 7.48
    acetonitrile 13.2
    DMF 83.9
    toluene 7.69
    isobutanol 7.03
    1,4-dioxane 41.6
    methyl acetate 24.39
    THF 61.76
    2-butanone 19.46
    n-pentanol 6.56
    sec-butanol 5.66
    n-hexane 0.46
    ethylene glycol 10.08
    NMP 113.53
    cyclohexane 0.78
    DMSO 59.77
    n-butyl acetate 16.92
    n-octanol 6.38
    chloroform 33.7
    n-propyl acetate 16.12
    acetic acid 19.98
    dichloromethane 37.16
    cyclohexanone 38.62
    propylene glycol 5.78
    isopropyl acetate 14.62
    DMAc 101.26
    2-ethoxyethanol 21.36
    isopentanol 9.17
    n-heptane 0.62
    ethyl formate 14.8
    1,2-dichloroethane 30.14
    n-hexanol 8.69
    2-methoxyethanol 42.11
    isobutyl acetate 15.78
    tetrachloromethane 4.93
    n-pentyl acetate 13.04
    transcutol 37.1
    n-heptanol 6.89
    ethylbenzene 5.55
    MIBK 16.76
    2-propoxyethanol 31.98
    tert-butanol 10.04
    MTBE 9.04
    2-butoxyethanol 19.61
    propionic acid 14.81
    o-xylene 7.53
    formic acid 15.42
    diethyl ether 8.42
    m-xylene 7.58
    p-xylene 8.67
    chlorobenzene 15.81
    dimethyl carbonate 29.78
    n-octane 0.45
    formamide 24.13
    cyclopentanone 54.75
    2-pentanone 16.98
    anisole 16.97
    cyclopentyl methyl ether 24.11
    gamma-butyrolactone 68.2
    1-methoxy-2-propanol 27.47
    pyridine 29.07
    3-pentanone 16.77
    furfural 64.79
    n-dodecane 0.83
    diethylene glycol 41.13
    diisopropyl ether 3.93
    tert-amyl alcohol 8.87
    acetylacetone 32.35
    n-hexadecane 0.99
    acetophenone 22.04
    methyl propionate 23.22
    isopentyl acetate 19.62
    trichloroethylene 59.52
    n-nonanol 7.2
    cyclohexanol 11.57
    benzyl alcohol 16.78
    2-ethylhexanol 8.34
    isooctanol 7.08
    dipropyl ether 8.14
    1,2-dichlorobenzene 19.43
    ethyl lactate 16.6
    propylene carbonate 38.34
    n-methylformamide 28.14
    2-pentanol 5.23
    n-pentane 0.35
    1-propoxy-2-propanol 20.69
    1-methoxy-2-propyl acetate 28.97
    2-(2-methoxypropoxy) propanol 25.53
    mesitylene 5.66
    ε-caprolactone 35.81
    p-cymene 7.09
    epichlorohydrin 66.09
    1,1,1-trichloroethane 21.31
    2-aminoethanol 10.1
    morpholine-4-carbaldehyde 82.48
    sulfolane 91.11
    2,2,4-trimethylpentane 0.74
    2-methyltetrahydrofuran 30.17
    n-hexyl acetate 16.37
    isooctane 0.58
    2-(2-butoxyethoxy)ethanol 24.66
    sec-butyl acetate 13.4
    tert-butyl acetate 19.2
    decalin 1.45
    glycerin 21.27
    diglyme 45.17
    acrylic acid 20.63
    isopropyl myristate 9.93
    n-butyric acid 17.02
    acetyl acetate 18.47
    di(2-ethylhexyl) phthalate 14.93
    ethyl propionate 17.37
    nitromethane 51.46
    1,2-diethoxyethane 14.33
    benzonitrile 20.14
    trioctyl phosphate 10.68
    1-bromopropane 9.5
    gamma-valerolactone 75.6
    n-decanol 6.14
    triethyl phosphate 16.39
    4-methyl-2-pentanol 5.71
    propionitrile 11.62
    vinylene carbonate 40.94
    1,1,2-trichlorotrifluoroethane 60.91
    DMS 28.86
    cumene 5.72
    2-octanol 5.2
    2-hexanone 16.37
    octyl acetate 12.17
    limonene 8.08
    1,2-dimethoxyethane 41.34
    ethyl orthosilicate 14.41
    tributyl phosphate 12.45
    diacetone alcohol 26.33
    N,N-dimethylaniline 15.46
    acrylonitrile 20.16
    aniline 16.13
    1,3-propanediol 15.64
    bromobenzene 15.15
    dibromomethane 19.64
    1,1,2,2-tetrachloroethane 43.05
    2-methyl-cyclohexyl acetate 20.29
    tetrabutyl urea 17.04
    diisobutyl methanol 6.82
    2-phenylethanol 18.92
    styrene 6.05
    dioctyl adipate 15.49
    dimethyl sulfate 59.05
    ethyl butyrate 15.38
    methyl lactate 25.51
    butyl lactate 13.69
    diethyl carbonate 14.69
    propanediol butyl ether 15.3
    triethyl orthoformate 15.18
    p-tert-butyltoluene 6.66
    methyl 4-tert-butylbenzoate 25.89
    morpholine 37.97
    tert-butylamine 5.44
    n-dodecanol 5.23
    dimethoxymethane 47.74
    ethylene carbonate 32.43
    cyrene 37.33
    2-ethoxyethyl acetate 20.27
    2-ethylhexyl acetate 16.96
    1,2,4-trichlorobenzene 26.04
    4-methylpyridine 28.08
    dibutyl ether 7.1
    2,6-dimethyl-4-heptanol 6.82
    DEF 28.88
    dimethyl isosorbide 46.47
    tetrachloroethylene 29.29
    eugenol 26.85
    triacetin 23.02
    span 80 18.29
    1,4-butanediol 7.4
    1,1-dichloroethane 17.83
    2-methyl-1-pentanol 8.91
    methyl formate 30.06
    2-methyl-1-butanol 8.61
    n-decane 1.05
    butyronitrile 10.69
    3,7-dimethyl-1-octanol 8.08
    1-chlorooctane 4.9
    1-chlorotetradecane 3.15
    n-nonane 0.78
    undecane 0.93
    tert-butylcyclohexane 1.3
    cyclooctane 0.42
    cyclopentanol 14.89
    tetrahydropyran 20.71
    tert-amyl methyl ether 9.94
    2,5,8-trioxanonane 39.01
    1-hexene 2.34
    2-isopropoxyethanol 17.09
    2,2,2-trifluoroethanol 20.68
    methyl butyrate 20.69

    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