Matricarin

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  • Identifiers

    CAS number
    5989-43-5

    Molecular formula
    C17H20O5

    SMILES
    C[C@H]1[C@@H]2[C@H](CC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)C)C)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 38.45%
    Caramellic 38.09%
    Sweet 35.87%
    Burnt 32.01%
    Nutty 29.83%
    Roasted 29.08%
    Spicy 24.03%
    Mint 22.42%
    Woody 21.11%
    Creamy 18.69%

     

    Flavor
    Bitter 73.64%
    Odorless 20.92%
    Fenugreek 20.39%
    Seedy 20.29%
    Cotton candy 20.15%
    Extremely sweet 20.13%
    Cedarleaf 20.11%
    Leaves 19.88%
    Lovage 19.84%
    Basil 19.65%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    5.62 (weak acid)

    Molecular weight
    304.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    490°C

    Flash point

    • 185.34 ˚C est.

  • Synonyms

    • Matricarin
    • 5989-43-5
    • UNII-N0027B7ESK
    • N0027B7ESK
    • AUSTRICIN, ACETATE
    • DTXSID60208606
    • Azuleno(4,5-b)furan-2,7-dione, 4-(acetyloxy)-3,3a,4,5,9a,9b-hexahydro-3,6,9-trimethyl-, (3S-(3alpha,3aalpha,4alpha,9aalpha,9bbeta))-
    • AZULENO(4,5-B)FURAN-2,7-DIONE, 4-(ACETYLOXY)-3,3A,4,5,9A,9B-HEXAHYDRO-3,6,9-TRIMETHYL-, (3S,3AR,4S,9AS,9BR)-
    • RefChem:42467
    • DTXCID70131097
    • GUAIA-1(10),3-DIEN-12-OIC ACID, 6alpha,8alpha-DIHYDROXY-2-OXO-, 12,6-LACTONE, ACETATE, (11S)-
    • Artilesin A
    • (3S,3aR,4S,9aS,9bR)-3,6,9-trimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl acetate
    • MATRICARIN [MI]
    • CHEMBL2087220
    • SCHEMBL29379927
    • CHEBI:174918
    • AKOS015969716
    • Guaia-1(10),3-dien-12-oic acid, 6.alpha.,8.alpha.-dihydroxy-2-oxo-, 12,6-lactone, acetate, (11S)-
    • Q27284313
    • [(3S,3aR,4S,9aS,9bR)-3,6,9-trimethyl-2,7-dioxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]uran-4-yl] acetate
    • 5989-43-5

  • Applications

    Matricarin (CAS 5989-43-5) is typically used as an intermediate in organic synthesis and, where appropriate, as a solvent or co-solvent in industrial formulations. It can function as a processing aid or stabilizer in polymers and plastics, helping during compounding or aging control. In coatings and inks, it may serve as a formulation component or processing additive to adjust viscosity or compatibility. Some applications are under evaluation for fragrance-related uses, where it could act as an odorant or fragrance ingredient in perfumery or personal care formulations, subject to regulations. Its use is product- and regulation-dependent, and formulation limits should be observed.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 40.69
    methanol 118.58
    isopropanol 44.06
    water 4.13
    ethyl acetate 89.5
    n-propanol 46.06
    acetone 168.83
    n-butanol 44.03
    acetonitrile 104.78
    DMF 360.04
    toluene 67.43
    isobutanol 38.32
    1,4-dioxane 213.31
    methyl acetate 124.12
    THF 275.7
    2-butanone 128.91
    n-pentanol 47.5
    sec-butanol 38.76
    n-hexane 1.04
    ethylene glycol 33.84
    NMP 418.32
    cyclohexane 2.28
    DMSO 292.67
    n-butyl acetate 58.1
    n-octanol 23.71
    chloroform 460.96
    n-propyl acetate 77.09
    acetic acid 200.43
    dichloromethane 399.18
    cyclohexanone 214.07
    propylene glycol 31.18
    isopropyl acetate 56.33
    DMAc 353.63
    2-ethoxyethanol 112.24
    isopentanol 42.6
    n-heptane 0.65
    ethyl formate 92.53
    1,2-dichloroethane 157.28
    n-hexanol 37.3
    2-methoxyethanol 167.75
    isobutyl acetate 58.65
    tetrachloromethane 28.8
    n-pentyl acetate 54.6
    transcutol 113.26
    n-heptanol 25.87
    ethylbenzene 31.81
    MIBK 51.78
    2-propoxyethanol 123.26
    tert-butanol 44.29
    MTBE 17.73
    2-butoxyethanol 72.3
    propionic acid 110.54
    o-xylene 35.53
    formic acid 154.51
    diethyl ether 27.04
    m-xylene 42.18
    p-xylene 51.42
    chlorobenzene 105.88
    dimethyl carbonate 90.67
    n-octane 0.64
    formamide 186.56
    cyclopentanone 295.78
    2-pentanone 81.57
    anisole 74.56
    cyclopentyl methyl ether 73.91
    gamma-butyrolactone 378.42
    1-methoxy-2-propanol 117.94
    pyridine 240.9
    3-pentanone 71.2
    furfural 320.3
    n-dodecane 1.01
    diethylene glycol 135.78
    diisopropyl ether 7.65
    tert-amyl alcohol 35.55
    acetylacetone 141.63
    n-hexadecane 1.22
    acetophenone 109.46
    methyl propionate 99.5
    isopentyl acetate 53.64
    trichloroethylene 403.17
    n-nonanol 24.26
    cyclohexanol 59.94
    benzyl alcohol 114.2
    2-ethylhexanol 23.1
    isooctanol 22.7
    dipropyl ether 14.89
    1,2-dichlorobenzene 93.36
    ethyl lactate 62.8
    propylene carbonate 188.89
    n-methylformamide 184.5
    2-pentanol 24.3
    n-pentane 0.75
    1-propoxy-2-propanol 65.63
    1-methoxy-2-propyl acetate 77.43
    2-(2-methoxypropoxy) propanol 70.13
    mesitylene 17.87
    ε-caprolactone 183.88
    p-cymene 15.75
    epichlorohydrin 299.37
    1,1,1-trichloroethane 101.95
    2-aminoethanol 48.22
    morpholine-4-carbaldehyde 352.4
    sulfolane 365.14
    2,2,4-trimethylpentane 0.87
    2-methyltetrahydrofuran 123.96
    n-hexyl acetate 62.08
    isooctane 0.61
    2-(2-butoxyethoxy)ethanol 70.77
    sec-butyl acetate 49.13
    tert-butyl acetate 47.31
    decalin 2.63
    glycerin 79.71
    diglyme 123.63
    acrylic acid 131.8
    isopropyl myristate 24.64
    n-butyric acid 105.54
    acetyl acetate 93.97
    di(2-ethylhexyl) phthalate 44.2
    ethyl propionate 63.54
    nitromethane 352.12
    1,2-diethoxyethane 42.62
    benzonitrile 128.01
    trioctyl phosphate 29.79
    1-bromopropane 48.87
    gamma-valerolactone 383.83
    n-decanol 17.97
    triethyl phosphate 36.26
    4-methyl-2-pentanol 19.32
    propionitrile 79.68
    vinylene carbonate 211.11
    1,1,2-trichlorotrifluoroethane 221.2
    DMS 86.04
    cumene 20.76
    2-octanol 19.13
    2-hexanone 74.36
    octyl acetate 34.6
    limonene 16.53
    1,2-dimethoxyethane 154.88
    ethyl orthosilicate 30.7
    tributyl phosphate 35.35
    diacetone alcohol 73.38
    N,N-dimethylaniline 50.34
    acrylonitrile 142.07
    aniline 101.17
    1,3-propanediol 70.13
    bromobenzene 98.46
    dibromomethane 189.98
    1,1,2,2-tetrachloroethane 253.41
    2-methyl-cyclohexyl acetate 52.09
    tetrabutyl urea 45.5
    diisobutyl methanol 12.04
    2-phenylethanol 79.15
    styrene 37.66
    dioctyl adipate 44.06
    dimethyl sulfate 174.1
    ethyl butyrate 45.06
    methyl lactate 90.27
    butyl lactate 53.45
    diethyl carbonate 41.22
    propanediol butyl ether 60.49
    triethyl orthoformate 36.53
    p-tert-butyltoluene 12.66
    methyl 4-tert-butylbenzoate 67.73
    morpholine 197.32
    tert-butylamine 14.38
    n-dodecanol 13.35
    dimethoxymethane 181.81
    ethylene carbonate 164.74
    cyrene 134.07
    2-ethoxyethyl acetate 77.4
    2-ethylhexyl acetate 43.43
    1,2,4-trichlorobenzene 126.54
    4-methylpyridine 211.88
    dibutyl ether 15.86
    2,6-dimethyl-4-heptanol 12.04
    DEF 105.59
    dimethyl isosorbide 119.63
    tetrachloroethylene 158.56
    eugenol 79.64
    triacetin 81.53
    span 80 57.97
    1,4-butanediol 49.53
    1,1-dichloroethane 134.32
    2-methyl-1-pentanol 48.06
    methyl formate 184.63
    2-methyl-1-butanol 40.36
    n-decane 1.52
    butyronitrile 66.58
    3,7-dimethyl-1-octanol 22.21
    1-chlorooctane 10.67
    1-chlorotetradecane 5.07
    n-nonane 1.14
    undecane 1.21
    tert-butylcyclohexane 1.87
    cyclooctane 0.81
    cyclopentanol 81.65
    tetrahydropyran 97.78
    tert-amyl methyl ether 19.93
    2,5,8-trioxanonane 95.23
    1-hexene 7.37
    2-isopropoxyethanol 83.3
    2,2,2-trifluoroethanol 122.63
    methyl butyrate 85.91

    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