Dihydrocoriandrin

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  • Identifiers

    CAS number
    116383-99-4

    Molecular formula
    C13H12O4

    SMILES
    CC1CC2=CC3=C(C=CO3)C(=C2C(=O)O1)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 65.82%
    Coumarinic 47.76%
    Herbal 44.09%
    Phenolic 39.69%
    Coconut 38.5%
    Spicy 38.36%
    Vanilla 36.55%
    Hay 36.35%
    Creamy 32.33%
    Powdery 32.31%

     

    Flavor
    Bitter 84.7%
    Parsley 21.29%
    Cedarleaf 20.45%
    Lovage 20.25%
    Ripe apricot 19.84%
    Naphthalic 19.44%
    Red fruit 19.42%
    Eugenol 19.35%
    Sweet-like 19.05%
    Aniseed 18.97%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    5.89 (weak acid)

    Molecular weight
    232.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    433°C

    Flash point

    • 184.05 ˚C est.

  • Synonyms

    • Dihydrocoriandrin
    • 116383-99-4
    • RefChem:133771
    • 4-Methoxy-7-methyl-7,8-dihydrofuro[2,3-g]isochromen-5-one
    • orb1990627
    • SCHEMBL31398368
    • CHEBI:174188
    • DTXSID201316347
    • AKOS040736240
    • 4-methoxy-7-methyl-7,8-dihydrouro[2,3-g]isochromen-5-one
    • 4-Methoxy-7-methyl-7,8-dihydro-5H-furo[2,3-g][2]benzopyran-5-one
    • 116383-99-4

  • Applications

    Dihydrocoriandrin (CAS 116383-99-4) is a fragrance-related compound derived from coriander essential oil and is typically used as an odorant in perfumery and flavor applications. It may serve as a fragrance component in cosmetics and personal care products, and it can appear in household and cleaning products as part of the fragrance system. The compound may also be evaluated as an aroma intermediate in industrial manufacturing or food processing, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.22
    methanol 16.19
    isopropanol 8.62
    water 0.06
    ethyl acetate 21.47
    n-propanol 10.17
    acetone 37.08
    n-butanol 11.71
    acetonitrile 17.02
    DMF 118.38
    toluene 10.84
    isobutanol 9.88
    1,4-dioxane 57.5
    methyl acetate 31.18
    THF 77.8
    2-butanone 28.04
    n-pentanol 10.81
    sec-butanol 7.38
    n-hexane 0.35
    ethylene glycol 12.31
    NMP 129.56
    cyclohexane 0.98
    DMSO 78.21
    n-butyl acetate 23.39
    n-octanol 9.81
    chloroform 74.3
    n-propyl acetate 22.25
    acetic acid 29.73
    dichloromethane 70.32
    cyclohexanone 61.29
    propylene glycol 7.26
    isopropyl acetate 18.41
    DMAc 119.99
    2-ethoxyethanol 29.86
    isopentanol 13.65
    n-heptane 0.53
    ethyl formate 25.11
    1,2-dichloroethane 52.44
    n-hexanol 13.12
    2-methoxyethanol 57.27
    isobutyl acetate 22.58
    tetrachloromethane 7.55
    n-pentyl acetate 19.53
    transcutol 47.35
    n-heptanol 9.98
    ethylbenzene 7.8
    MIBK 21.59
    2-propoxyethanol 44.02
    tert-butanol 13.2
    MTBE 8.76
    2-butoxyethanol 27.27
    propionic acid 21.05
    o-xylene 9.86
    formic acid 18.06
    diethyl ether 8.51
    m-xylene 10.59
    p-xylene 12.38
    chlorobenzene 29.21
    dimethyl carbonate 31.25
    n-octane 0.46
    formamide 27.28
    cyclopentanone 80.09
    2-pentanone 23.21
    anisole 21.66
    cyclopentyl methyl ether 25.82
    gamma-butyrolactone 92.97
    1-methoxy-2-propanol 36.87
    pyridine 47.11
    3-pentanone 20.23
    furfural 99.66
    n-dodecane 0.99
    diethylene glycol 55.03
    diisopropyl ether 3.87
    tert-amyl alcohol 10.35
    acetylacetone 44.54
    n-hexadecane 1.2
    acetophenone 31.76
    methyl propionate 27.73
    isopentyl acetate 26.78
    trichloroethylene 105.99
    n-nonanol 10.3
    cyclohexanol 17.12
    benzyl alcohol 26.77
    2-ethylhexanol 11.58
    isooctanol 9.96
    dipropyl ether 7.97
    1,2-dichlorobenzene 33.04
    ethyl lactate 22.89
    propylene carbonate 57.13
    n-methylformamide 41.23
    2-pentanol 6.9
    n-pentane 0.3
    1-propoxy-2-propanol 26.65
    1-methoxy-2-propyl acetate 35.95
    2-(2-methoxypropoxy) propanol 33.35
    mesitylene 7.49
    ε-caprolactone 54.69
    p-cymene 9.13
    epichlorohydrin 97.94
    1,1,1-trichloroethane 34.98
    2-aminoethanol 12.91
    morpholine-4-carbaldehyde 106.81
    sulfolane 114.61
    2,2,4-trimethylpentane 0.67
    2-methyltetrahydrofuran 36.52
    n-hexyl acetate 24.26
    isooctane 0.61
    2-(2-butoxyethoxy)ethanol 33.9
    sec-butyl acetate 17.41
    tert-butyl acetate 22.45
    decalin 1.56
    glycerin 26.67
    diglyme 58.82
    acrylic acid 29.14
    isopropyl myristate 13.24
    n-butyric acid 26.33
    acetyl acetate 23.15
    di(2-ethylhexyl) phthalate 21.76
    ethyl propionate 20.81
    nitromethane 63.51
    1,2-diethoxyethane 18.11
    benzonitrile 34.93
    trioctyl phosphate 15.0
    1-bromopropane 13.51
    gamma-valerolactone 106.75
    n-decanol 8.65
    triethyl phosphate 19.85
    4-methyl-2-pentanol 7.63
    propionitrile 17.51
    vinylene carbonate 60.96
    1,1,2-trichlorotrifluoroethane 85.59
    DMS 36.93
    cumene 7.68
    2-octanol 7.49
    2-hexanone 23.31
    octyl acetate 16.45
    limonene 10.38
    1,2-dimethoxyethane 53.16
    ethyl orthosilicate 17.31
    tributyl phosphate 17.26
    diacetone alcohol 33.47
    N,N-dimethylaniline 18.51
    acrylonitrile 31.42
    aniline 21.45
    1,3-propanediol 23.0
    bromobenzene 27.48
    dibromomethane 36.32
    1,1,2,2-tetrachloroethane 74.18
    2-methyl-cyclohexyl acetate 26.83
    tetrabutyl urea 24.29
    diisobutyl methanol 8.57
    2-phenylethanol 29.05
    styrene 8.85
    dioctyl adipate 21.28
    dimethyl sulfate 64.14
    ethyl butyrate 19.15
    methyl lactate 31.81
    butyl lactate 20.24
    diethyl carbonate 18.5
    propanediol butyl ether 22.02
    triethyl orthoformate 18.5
    p-tert-butyltoluene 8.51
    methyl 4-tert-butylbenzoate 34.07
    morpholine 51.54
    tert-butylamine 6.35
    n-dodecanol 7.44
    dimethoxymethane 59.23
    ethylene carbonate 48.86
    cyrene 52.69
    2-ethoxyethyl acetate 29.39
    2-ethylhexyl acetate 22.31
    1,2,4-trichlorobenzene 42.63
    4-methylpyridine 41.84
    dibutyl ether 8.97
    2,6-dimethyl-4-heptanol 8.57
    DEF 36.93
    dimethyl isosorbide 57.39
    tetrachloroethylene 50.15
    eugenol 36.83
    triacetin 31.64
    span 80 25.52
    1,4-butanediol 11.42
    1,1-dichloroethane 32.66
    2-methyl-1-pentanol 13.77
    methyl formate 45.3
    2-methyl-1-butanol 11.85
    n-decane 1.19
    butyronitrile 17.88
    3,7-dimethyl-1-octanol 11.32
    1-chlorooctane 6.96
    1-chlorotetradecane 4.33
    n-nonane 0.85
    undecane 1.08
    tert-butylcyclohexane 1.37
    cyclooctane 0.47
    cyclopentanol 20.63
    tetrahydropyran 29.09
    tert-amyl methyl ether 9.21
    2,5,8-trioxanonane 50.39
    1-hexene 2.27
    2-isopropoxyethanol 24.59
    2,2,2-trifluoroethanol 24.82
    methyl butyrate 28.39

    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