Leukomisin

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  • Identifiers

    CAS number
    17946-87-1

    Molecular formula
    C15H18O3

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 45.94%
    Caramellic 42.95%
    Spicy 38.19%
    Burnt 35.52%
    Mint 33.16%
    Nutty 32.83%
    Woody 31.03%
    Tobacco 28.57%
    Roasted 28.53%
    Coconut 28.18%

     

    Flavor
    Bitter 73.17%
    Lovage 20.94%
    Basil 20.74%
    Minty 20.49%
    Cedarleaf 20.22%
    Leaves 19.64%
    Fenugreek 19.35%
    Ripe apricot 18.86%
    Seedy 18.77%
    Extremely sweet 18.73%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    6.31 (neutral)

    Molecular weight
    246.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    528°C

    Flash point

    • 162.25 ˚C est.

  • Synonyms

    • Leucodin
    • Desacetoxymatricarin
    • 17946-87-1
    • Deacetoxymatricarin
    • Leukomisin
    • Leukodin, (+)-
    • (3s,3as,9as,9bs)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
    • 1G2W00IRUI
    • DTXSID20170810
    • (3S,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno(4,5-b)furan-2,7-dione
    • RefChem:132105
    • DTXCID9093301
    • Leucomisine
    • Axillin
    • Leucodine
    • Leukodin
    • Deacetoxy matricarin
    • Oligvon
    • Desacetoxymatricarine
    • (+)-Leukodin
    • Matricarin, deacetoxy-
    • SMR000445670
    • UNII-1G2W00IRUI
    • Leucomisin;
    • Leukodin;
    • (3S,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5-tetrahydroazuleno[4,5-b]furan-2,7(9aH,9bH)-dione
    • Desacetoxymatricarin;
    • Spectrum_001968
    • SpecPlus_000876
    • Prestwick0_001084
    • Prestwick1_001084
    • Prestwick2_001084
    • Prestwick3_001084
    • Spectrum2_001657
    • Spectrum3_001631
    • Spectrum4_001825
    • Spectrum5_000589
    • BSPBio_001128
    • BSPBio_003321
    • KBioGR_002495
    • KBioSS_002530
    • MLS000728557
    • MLS002154146
    • DivK1c_006972
    • SPBio_001813
    • SPBio_003024
    • BPBio1_001242
    • CHEBI:4441
    • CHEMBL517040
    • SCHEMBL29420462
    • DESACETOXYMATRICARIN [MI]
    • KBio1_001916
    • KBio2_002522
    • KBio2_005090
    • KBio2_007658
    • KBio3_002541
    • (3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
    • HMS1571I10
    • HMS2098I10
    • HMS2221B10
    • BB_NC-03269
    • BBL036667
    • CCG-38769
    • STL559046
    • AKOS015969701
    • FD69738
    • 11,13-DIHYDRO-DEHYDROLEUCODINE
    • Guaia-1(10),3-dien-12-oic acid, 6-alpha-hydroxy-2-oxo-, gamma-lactone, (11S)-
    • NCGC00163587-02
    • NCGC00163587-03
    • NCGC00163587-05
    • Azuleno(4,5-b)furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-3,6,9-trimethyl-, (3S,3aS,9aS,9bS)-
    • Azuleno(4,5-b)furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-3,6,9-trimethyl-, (3S-(3alpha,3aalpha,9aalpha,9bbeta))-
    • Azuleno(4,5-b)furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-3,6,9-trimethyl-,(3S,3aS,9aS,9bS)-
    • DA-64926
    • FL180377
    • HY-126156
    • AB00514036
    • CS-0092445
    • NS00094647
    • C09394
    • G90881
    • BRD-K96119599-001-05-4
    • Q27106383
    • 17946-87-1

  • Applications

    Leukomisin may have multi-sector applications, primarily as a fragrance/odorant ingredient and, where relevant, as a stabilizing or processing additive. It may be evaluated or used as an intermediate or formulation aid in cosmetics/personal care, fragrance products, and household cleaning formulations; as a processing additive in coatings and inks; as a component in adhesives; and in polymer/plastic systems as a stabilizer or processing aid. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 51.54
    methanol 87.27
    isopropanol 65.04
    water 1.44
    ethyl acetate 108.77
    n-propanol 66.3
    acetone 164.32
    n-butanol 65.85
    acetonitrile 106.2
    DMF 317.76
    toluene 163.83
    isobutanol 61.99
    1,4-dioxane 238.8
    methyl acetate 168.62
    THF 245.79
    2-butanone 203.96
    n-pentanol 51.67
    sec-butanol 60.12
    n-hexane 1.26
    ethylene glycol 34.15
    NMP 284.2
    cyclohexane 5.23
    DMSO 217.18
    n-butyl acetate 94.81
    n-octanol 32.28
    chloroform 750.51
    n-propyl acetate 96.31
    acetic acid 105.28
    dichloromethane 588.73
    cyclohexanone 292.65
    propylene glycol 29.73
    isopropyl acetate 79.75
    DMAc 258.2
    2-ethoxyethanol 110.71
    isopentanol 74.07
    n-heptane 1.27
    ethyl formate 121.28
    1,2-dichloroethane 272.91
    n-hexanol 63.78
    2-methoxyethanol 152.71
    isobutyl acetate 77.49
    tetrachloromethane 75.26
    n-pentyl acetate 88.05
    transcutol 169.53
    n-heptanol 45.04
    ethylbenzene 73.01
    MIBK 83.82
    2-propoxyethanol 139.19
    tert-butanol 70.36
    MTBE 40.55
    2-butoxyethanol 101.59
    propionic acid 109.02
    o-xylene 93.82
    formic acid 60.61
    diethyl ether 39.42
    m-xylene 99.39
    p-xylene 107.03
    chlorobenzene 224.46
    dimethyl carbonate 93.46
    n-octane 1.32
    formamide 107.67
    cyclopentanone 345.14
    2-pentanone 117.47
    anisole 122.94
    cyclopentyl methyl ether 88.99
    gamma-butyrolactone 373.62
    1-methoxy-2-propanol 118.59
    pyridine 354.48
    3-pentanone 106.94
    furfural 371.79
    n-dodecane 2.05
    diethylene glycol 142.58
    diisopropyl ether 17.74
    tert-amyl alcohol 60.61
    acetylacetone 156.69
    n-hexadecane 2.47
    acetophenone 156.54
    methyl propionate 115.47
    isopentyl acetate 95.24
    trichloroethylene 652.36
    n-nonanol 32.09
    cyclohexanol 82.52
    benzyl alcohol 151.46
    2-ethylhexanol 39.55
    isooctanol 40.72
    dipropyl ether 22.04
    1,2-dichlorobenzene 200.9
    ethyl lactate 72.76
    propylene carbonate 216.48
    n-methylformamide 153.93
    2-pentanol 41.51
    n-pentane 1.63
    1-propoxy-2-propanol 83.03
    1-methoxy-2-propyl acetate 118.46
    2-(2-methoxypropoxy) propanol 91.31
    mesitylene 50.79
    ε-caprolactone 237.05
    p-cymene 38.3
    epichlorohydrin 385.03
    1,1,1-trichloroethane 227.43
    2-aminoethanol 49.77
    morpholine-4-carbaldehyde 301.31
    sulfolane 341.26
    2,2,4-trimethylpentane 2.65
    2-methyltetrahydrofuran 150.1
    n-hexyl acetate 93.66
    isooctane 2.34
    2-(2-butoxyethoxy)ethanol 101.68
    sec-butyl acetate 70.19
    tert-butyl acetate 74.26
    decalin 5.88
    glycerin 65.6
    diglyme 185.94
    acrylic acid 126.02
    isopropyl myristate 38.21
    n-butyric acid 121.17
    acetyl acetate 106.73
    di(2-ethylhexyl) phthalate 63.73
    ethyl propionate 80.2
    nitromethane 217.83
    1,2-diethoxyethane 65.73
    benzonitrile 227.08
    trioctyl phosphate 40.85
    1-bromopropane 90.89
    gamma-valerolactone 383.28
    n-decanol 24.07
    triethyl phosphate 49.14
    4-methyl-2-pentanol 35.1
    propionitrile 116.02
    vinylene carbonate 253.88
    1,1,2-trichlorotrifluoroethane 247.44
    DMS 134.3
    cumene 47.95
    2-octanol 31.78
    2-hexanone 95.34
    octyl acetate 49.84
    limonene 37.8
    1,2-dimethoxyethane 156.9
    ethyl orthosilicate 44.21
    tributyl phosphate 47.19
    diacetone alcohol 96.37
    N,N-dimethylaniline 80.83
    acrylonitrile 186.71
    aniline 165.37
    1,3-propanediol 79.45
    bromobenzene 228.83
    dibromomethane 312.49
    1,1,2,2-tetrachloroethane 419.48
    2-methyl-cyclohexyl acetate 77.81
    tetrabutyl urea 56.86
    diisobutyl methanol 26.34
    2-phenylethanol 135.43
    styrene 84.34
    dioctyl adipate 60.95
    dimethyl sulfate 153.24
    ethyl butyrate 67.26
    methyl lactate 84.73
    butyl lactate 78.16
    diethyl carbonate 61.68
    propanediol butyl ether 79.68
    triethyl orthoformate 51.66
    p-tert-butyltoluene 33.35
    methyl 4-tert-butylbenzoate 107.45
    morpholine 204.85
    tert-butylamine 33.09
    n-dodecanol 18.71
    dimethoxymethane 147.77
    ethylene carbonate 196.05
    cyrene 136.54
    2-ethoxyethyl acetate 123.8
    2-ethylhexyl acetate 80.56
    1,2,4-trichlorobenzene 242.68
    4-methylpyridine 318.38
    dibutyl ether 23.96
    2,6-dimethyl-4-heptanol 26.34
    DEF 120.32
    dimethyl isosorbide 157.02
    tetrachloroethylene 287.52
    eugenol 124.37
    triacetin 109.36
    span 80 74.9
    1,4-butanediol 49.46
    1,1-dichloroethane 251.95
    2-methyl-1-pentanol 65.0
    methyl formate 161.32
    2-methyl-1-butanol 65.29
    n-decane 2.95
    butyronitrile 99.4
    3,7-dimethyl-1-octanol 35.13
    1-chlorooctane 19.82
    1-chlorotetradecane 9.48
    n-nonane 2.15
    undecane 2.4
    tert-butylcyclohexane 4.83
    cyclooctane 2.02
    cyclopentanol 93.4
    tetrahydropyran 135.02
    tert-amyl methyl ether 36.44
    2,5,8-trioxanonane 127.25
    1-hexene 10.62
    2-isopropoxyethanol 87.83
    2,2,2-trifluoroethanol 88.94
    methyl butyrate 110.46

    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