Matricin

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  • Identifiers

    CAS number
    29041-35-8

    Molecular formula
    C17H22O5

    SMILES
    C[C@H]1[C@@H]2[C@H](CC(=C3C=C[C@@]([C@@H]3[C@H]2OC1=O)(C)O)C)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 47.93%
    Spicy 26.51%
    Woody 24.12%
    Sweet 24.01%
    Mint 19.81%
    Nutty 19.42%
    Floral 19.27%
    Roasted 18.02%
    Vanilla 16.81%
    Lactonic 16.69%

     

    Flavor
    Bitter 79.59%
    Odorless 21.23%
    Cedarleaf 20.73%
    Sweet-like 20.06%
    Leaves 19.54%
    Ripe apricot 19.53%
    Seedy 19.39%
    Minty 19.37%
    Fenugreek 19.37%
    Cotton candy 19.36%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    6.44 (neutral)

    Molecular weight
    306.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    588°C

    Flash point

    • 179.65 ˚C est.

  • Synonyms

    • Matricin
    • 29041-35-8
    • O034C3549S
    • DTXSID50951639
    • [(3S,3aR,4S,9R,9aS,9bS)-9-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate
    • matricine
    • ((3S,3aR,4S,9R,9aS,9bS)-9-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno(4,5-b)furan-4-yl) acetate
    • RefChem:41794
    • DTXCID901379750
    • 249-384-3
    • Proazulene
    • (3s,3ar,4s,9r,9as,9bs)-9-hydroxy-3,6,9-trimethyl-2-oxo-2,3,3a,4,5,9,9a,9b-octahydroazuleno[4,5-b]furan-4-yl acetate
    • [3S-(3alpha,3aalpha,4alpha,9alpha,9aalpha,9bbeta)]-3a,4,5,9,9a,9b-hexahydro-9-hydroxy-3,6,9-trimethyl-2-oxoazuleno[4,5-b]-3H-furan-4-yl acetate
    • (-)-Matricin
    • UNII-O034C3549S
    • (3S-(3alpha,3aalpha,4alpha,9alpha,9aalpha,9bbeta))-3a,4,5,9,9a,9b-Hexahydro-9-hydroxy-3,6,9-trimethyl-2-oxoazuleno(4,5-b)-3H-furan-4-yl acetate
    • EINECS 249-384-3
    • Matricin, analytical standard
    • SCHEMBL457856
    • CHEBI:6699
    • CHEMBL497441
    • GLXC-19156
    • LMPR0103410003
    • C09499
    • MATRICIN (CONSTITUENT OF CHAMOMILE) [DSC]
    • Q1908961
    • [(3s,3Ar,4s,9r,9as,9bs)-9-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl]acetate
    • AZULENO(4,5-B)FURAN-2(3H)-ONE, 4-(ACETYLOXY)-3A,4,5,9,9A,9B-HEXAHYDRO-9-HYDROXY-3,6,9-TRIMETHYL-, (3S,3AR,4S,9R,9AS,9BS)-
    • 29041-35-8

  • Applications

    Matricin (CAS 29041-35-8) is a natural sesquiterpene lactone predominantly found in chamomile essential oil and extracts. In industry, it is mainly encountered as a constituent of chamomile-derived materials used in cosmetics and personal care, contributing to the chemical profile of the extract. It is studied in pharmaceutical research as a bioactive natural product and may serve as an intermediate in the synthesis of other sesquiterpene lactones. Within manufacturing, matricin is used as a marker compound for quality control of chamomile raw materials and extracts. Depending on formulation and local regulations, its use is typically limited to research and specialty applications rather than broad consumer products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 62.89
    methanol 313.61
    isopropanol 61.82
    water 4.22
    ethyl acetate 120.17
    n-propanol 67.64
    acetone 276.38
    n-butanol 58.08
    acetonitrile 115.22
    DMF 653.26
    toluene 62.77
    isobutanol 51.62
    1,4-dioxane 367.56
    methyl acetate 155.33
    THF 489.23
    2-butanone 170.44
    n-pentanol 54.91
    sec-butanol 42.83
    n-hexane 1.4
    ethylene glycol 56.92
    NMP 537.56
    cyclohexane 3.4
    DMSO 458.88
    n-butyl acetate 62.89
    n-octanol 32.28
    chloroform 434.01
    n-propyl acetate 87.82
    acetic acid 223.42
    dichloromethane 348.04
    cyclohexanone 250.68
    propylene glycol 60.43
    isopropyl acetate 67.66
    DMAc 523.16
    2-ethoxyethanol 143.44
    isopentanol 51.59
    n-heptane 1.21
    ethyl formate 112.17
    1,2-dichloroethane 157.03
    n-hexanol 46.62
    2-methoxyethanol 275.27
    isobutyl acetate 68.39
    tetrachloromethane 27.69
    n-pentyl acetate 58.54
    transcutol 174.14
    n-heptanol 33.05
    ethylbenzene 33.04
    MIBK 67.1
    2-propoxyethanol 173.39
    tert-butanol 59.41
    MTBE 25.23
    2-butoxyethanol 89.36
    propionic acid 125.34
    o-xylene 38.94
    formic acid 189.22
    diethyl ether 40.86
    m-xylene 44.83
    p-xylene 52.96
    chlorobenzene 95.93
    dimethyl carbonate 145.82
    n-octane 1.04
    formamide 244.55
    cyclopentanone 377.49
    2-pentanone 106.92
    anisole 92.35
    cyclopentyl methyl ether 106.87
    gamma-butyrolactone 472.4
    1-methoxy-2-propanol 187.48
    pyridine 250.6
    3-pentanone 94.45
    furfural 364.59
    n-dodecane 1.58
    diethylene glycol 198.68
    diisopropyl ether 11.25
    tert-amyl alcohol 37.18
    acetylacetone 186.89
    n-hexadecane 1.89
    acetophenone 123.67
    methyl propionate 143.65
    isopentyl acetate 59.54
    trichloroethylene 370.95
    n-nonanol 31.79
    cyclohexanol 68.64
    benzyl alcohol 117.88
    2-ethylhexanol 27.32
    isooctanol 28.12
    dipropyl ether 23.65
    1,2-dichlorobenzene 91.22
    ethyl lactate 79.94
    propylene carbonate 213.49
    n-methylformamide 295.52
    2-pentanol 29.78
    n-pentane 1.09
    1-propoxy-2-propanol 86.56
    1-methoxy-2-propyl acetate 98.42
    2-(2-methoxypropoxy) propanol 87.03
    mesitylene 23.81
    ε-caprolactone 212.04
    p-cymene 17.39
    epichlorohydrin 374.81
    1,1,1-trichloroethane 101.34
    2-aminoethanol 79.3
    morpholine-4-carbaldehyde 516.02
    sulfolane 452.67
    2,2,4-trimethylpentane 1.11
    2-methyltetrahydrofuran 161.01
    n-hexyl acetate 72.44
    isooctane 0.95
    2-(2-butoxyethoxy)ethanol 95.22
    sec-butyl acetate 55.52
    tert-butyl acetate 61.92
    decalin 3.85
    glycerin 136.45
    diglyme 175.07
    acrylic acid 148.29
    isopropyl myristate 32.11
    n-butyric acid 124.49
    acetyl acetate 120.04
    di(2-ethylhexyl) phthalate 51.44
    ethyl propionate 79.53
    nitromethane 469.19
    1,2-diethoxyethane 57.8
    benzonitrile 119.43
    trioctyl phosphate 35.52
    1-bromopropane 46.6
    gamma-valerolactone 524.99
    n-decanol 24.14
    triethyl phosphate 43.19
    4-methyl-2-pentanol 25.07
    propionitrile 89.2
    vinylene carbonate 253.62
    1,1,2-trichlorotrifluoroethane 262.71
    DMS 106.46
    cumene 22.66
    2-octanol 22.21
    2-hexanone 87.38
    octyl acetate 42.85
    limonene 19.74
    1,2-dimethoxyethane 259.38
    ethyl orthosilicate 36.26
    tributyl phosphate 40.57
    diacetone alcohol 94.92
    N,N-dimethylaniline 65.41
    acrylonitrile 154.41
    aniline 99.52
    1,3-propanediol 106.92
    bromobenzene 90.12
    dibromomethane 161.01
    1,1,2,2-tetrachloroethane 259.2
    2-methyl-cyclohexyl acetate 59.65
    tetrabutyl urea 57.96
    diisobutyl methanol 16.25
    2-phenylethanol 84.04
    styrene 39.9
    dioctyl adipate 55.25
    dimethyl sulfate 238.97
    ethyl butyrate 52.52
    methyl lactate 137.85
    butyl lactate 62.07
    diethyl carbonate 46.99
    propanediol butyl ether 87.41
    triethyl orthoformate 44.84
    p-tert-butyltoluene 15.4
    methyl 4-tert-butylbenzoate 81.92
    morpholine 315.78
    tert-butylamine 18.88
    n-dodecanol 18.11
    dimethoxymethane 343.48
    ethylene carbonate 196.85
    cyrene 166.52
    2-ethoxyethyl acetate 88.16
    2-ethylhexyl acetate 47.85
    1,2,4-trichlorobenzene 123.23
    4-methylpyridine 211.34
    dibutyl ether 22.11
    2,6-dimethyl-4-heptanol 16.25
    DEF 145.28
    dimethyl isosorbide 157.95
    tetrachloroethylene 150.99
    eugenol 97.99
    triacetin 99.5
    span 80 75.33
    1,4-butanediol 65.83
    1,1-dichloroethane 124.55
    2-methyl-1-pentanol 48.39
    methyl formate 294.7
    2-methyl-1-butanol 44.62
    n-decane 2.48
    butyronitrile 70.51
    3,7-dimethyl-1-octanol 28.91
    1-chlorooctane 14.27
    1-chlorotetradecane 6.65
    n-nonane 1.91
    undecane 1.94
    tert-butylcyclohexane 2.61
    cyclooctane 1.39
    cyclopentanol 103.13
    tetrahydropyran 162.19
    tert-amyl methyl ether 25.02
    2,5,8-trioxanonane 139.12
    1-hexene 9.24
    2-isopropoxyethanol 97.2
    2,2,2-trifluoroethanol 124.58
    methyl butyrate 105.22

    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