Maritimein

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  • Identifiers

    CAS number
    490-54-0

    Molecular formula
    C21H20O11

    SMILES
    C1=CC(=C(C=C1/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 76.11%
    Vanilla 29.19%
    Phenolic 27.5%
    Burnt 24.91%
    Savory 22.46%
    Milky 20.07%
    Spicy 19.56%
    Smoky 19.42%
    Balsamic 18.39%
    Sweet 17.15%

     

    Flavor
    Bitter 85.5%
    Bland 32.24%
    Odorless 30.76%
    Sweet-like 25.45%
    Very mild 19.95%
    Cedarleaf 19.88%
    Parsley 19.36%
    Lovage 19.18%
    Eugenol 19.0%
    Nitrile 18.62%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    8.32 (weak base)

    Molecular weight
    448.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3234°C

    Flash point

    • 300.97 ˚C est.

  • Synonyms

    • Maritimein
    • UNII-4PTU0WDQ7M
    • 4PTU0WDQ7M
    • EINECS 207-712-2
    • (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one
    • (Z)-2-((3,4-Dihydroxyphenyl)methylene)-6-(beta-D-glucopyranosyloxy)-7-hydroxybenzofuran-3(2H)-one
    • (Z)-2-((3,4-DIHYDROXYPHENYL)METHYLENE)-6-(.BETA.-D-GLUCOPYRANOSYLOXY)-7-HYDROXYBENZOFURAN-3(2H)-ONE
    • (Z)-2-[(3,4-dihydroxyphenyl)methylene]-6-(beta-D-glucopyranosyloxy)-7-hydroxybenzofuran-3(2H)-one
    • 3(2H)-BENZOFURANONE, 2-((3,4-DIHYDROXYPHENYL)METHYLENE)-6-(.BETA.-D-GLUCOPYRANOSYLOXY)-7-HYDROXY-, (2Z)-
    • 3(2H)-BENZOFURANONE, 2-((3,4-DIHYDROXYPHENYL)METHYLENE)-6-(.BETA.-D-GLUCOPYRANOSYLOXY)-7-HYDROXY-, (Z)-
    • 3(2H)-BENZOFURANONE, 2-(3,4-DIHYDROXYBENZYLIDENE)-6-(.BETA.-D-GLUCOPYRANOSYLOXY)-7-HYDROXY-
    • (2Z)-2-((3,4-dihydroxyphenyl)methylidene)-7-hydroxy-6-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1-benzofuran-3-one
    • 2-((3,4-dihydroxyphenyl)methylidene)-7-hydroxy-6-((2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1-benzofuran-3-one
    • 2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-6-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one
    • RefChem:155885
    • 3(2H)-BENZOFURANONE, 2-((3,4-DIHYDROXYPHENYL)METHYLENE)-6-(BETA-D-GLUCOPYRANOSYLOXY)-7-HYDROXY-, (2Z)-
    • 3(2H)-BENZOFURANONE, 2-((3,4-DIHYDROXYPHENYL)METHYLENE)-6-(BETA-D-GLUCOPYRANOSYLOXY)-7-HYDROXY-, (Z)-
    • 3(2H)-BENZOFURANONE, 2-(3,4-DIHYDROXYBENZYLIDENE)-6-(BETA-D-GLUCOPYRANOSYLOXY)-7-HYDROXY-
    • 490-54-0
    • MFCD00017413
    • Mrtm-6-Glc
    • orb1682159
    • SCHEMBL1706306
    • CHEMBL2165570
    • SCHEMBL29354648
    • SYRURBPRFQUYQS-RHEJLWEFSA-N
    • DTXSID901029272
    • HY-N8955
    • AKOS040762024
    • FM65372
    • FS-10670
    • CS-0149432
    • NS00042899
    • Q6765897
    • Maritimetin-6-O-glucoside; 6-O-ss-D-Glucopyranosyl-3',4',6,7-tetrahydroxyaurone
    • (2Z)-2-[(3,4-dihydroxyphenyl)methylene]-7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzofuran-3-one
    • 2-((Z)-3,4-Dihydroxybenzylidene)-7-hydroxy-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzofuran-3(2H)-one
    • 490-54-0

  • Applications

    Maritimein (CAS 490-54-0) is primarily used as an odorant/fragrance ingredient in perfumery and personal care products; it may serve as an aroma compound in the food and beverage flavor sector, subject to formulation; in household products and cleaners, it can function as an odorizing component; in industrial manufacturing, it is often treated as an aromatic intermediate in fragrance chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 48.76
    methanol 48.88
    isopropanol 26.05
    water 2.63
    ethyl acetate 11.2
    n-propanol 29.81
    acetone 49.54
    n-butanol 15.0
    acetonitrile 12.86
    DMF 161.23
    toluene 0.63
    isobutanol 6.72
    1,4-dioxane 38.7
    methyl acetate 13.51
    THF 116.98
    2-butanone 24.32
    n-pentanol 5.54
    sec-butanol 13.63
    n-hexane 0.04
    ethylene glycol 99.61
    NMP 60.85
    cyclohexane 0.16
    DMSO 391.06
    n-butyl acetate 1.29
    n-octanol 6.06
    chloroform 0.4
    n-propyl acetate 2.47
    acetic acid 125.86
    dichloromethane 0.55
    cyclohexanone 15.66
    propylene glycol 85.43
    isopropyl acetate 5.05
    DMAc 125.61
    2-ethoxyethanol 125.03
    isopentanol 5.32
    n-heptane 0.18
    ethyl formate 11.63
    1,2-dichloroethane 0.93
    n-hexanol 2.43
    2-methoxyethanol 356.01
    isobutyl acetate 0.54
    tetrachloromethane 0.1
    n-pentyl acetate 3.8
    transcutol 97.08
    n-heptanol 4.73
    ethylbenzene 0.19
    MIBK 3.82
    2-propoxyethanol 41.45
    tert-butanol 12.14
    MTBE 3.19
    2-butoxyethanol 25.36
    propionic acid 24.56
    o-xylene 0.42
    formic acid 172.45
    diethyl ether 8.18
    m-xylene 0.32
    p-xylene 0.18
    chlorobenzene 0.19
    dimethyl carbonate 15.62
    n-octane 0.19
    formamide 233.27
    cyclopentanone 40.53
    2-pentanone 16.39
    anisole 1.63
    cyclopentyl methyl ether 9.24
    gamma-butyrolactone 48.9
    1-methoxy-2-propanol 165.92
    pyridine 13.57
    3-pentanone 7.39
    furfural 25.48
    n-dodecane 0.17
    diethylene glycol 77.85
    diisopropyl ether 0.75
    tert-amyl alcohol 7.09
    acetylacetone 28.58
    n-hexadecane 0.19
    acetophenone 2.11
    methyl propionate 16.25
    isopentyl acetate 0.88
    trichloroethylene 1.51
    n-nonanol 5.79
    cyclohexanol 7.19
    benzyl alcohol 4.14
    2-ethylhexanol 0.9
    isooctanol 2.43
    dipropyl ether 2.95
    1,2-dichlorobenzene 0.14
    ethyl lactate 7.13
    propylene carbonate 6.92
    n-methylformamide 93.34
    2-pentanol 6.6
    n-pentane 0.11
    1-propoxy-2-propanol 19.95
    1-methoxy-2-propyl acetate 6.62
    2-(2-methoxypropoxy) propanol 18.36
    mesitylene 0.18
    ε-caprolactone 15.24
    p-cymene 0.2
    epichlorohydrin 29.43
    1,1,1-trichloroethane 0.24
    2-aminoethanol 103.96
    morpholine-4-carbaldehyde 102.46
    sulfolane 64.72
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 17.79
    n-hexyl acetate 4.99
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 36.7
    sec-butyl acetate 1.08
    tert-butyl acetate 3.95
    decalin 0.03
    glycerin 193.45
    diglyme 57.5
    acrylic acid 34.01
    isopropyl myristate 1.84
    n-butyric acid 21.74
    acetyl acetate 5.27
    di(2-ethylhexyl) phthalate 1.81
    ethyl propionate 2.74
    nitromethane 162.56
    1,2-diethoxyethane 11.32
    benzonitrile 1.3
    trioctyl phosphate 2.13
    1-bromopropane 0.43
    gamma-valerolactone 104.82
    n-decanol 3.91
    triethyl phosphate 0.96
    4-methyl-2-pentanol 1.72
    propionitrile 5.25
    vinylene carbonate 6.01
    1,1,2-trichlorotrifluoroethane 39.23
    DMS 3.9
    cumene 0.1
    2-octanol 3.18
    2-hexanone 3.0
    octyl acetate 3.55
    limonene 0.37
    1,2-dimethoxyethane 59.84
    ethyl orthosilicate 0.95
    tributyl phosphate 1.62
    diacetone alcohol 22.94
    N,N-dimethylaniline 1.15
    acrylonitrile 9.97
    aniline 3.55
    1,3-propanediol 126.25
    bromobenzene 0.1
    dibromomethane 0.24
    1,1,2,2-tetrachloroethane 1.4
    2-methyl-cyclohexyl acetate 0.93
    tetrabutyl urea 4.16
    diisobutyl methanol 0.72
    2-phenylethanol 2.26
    styrene 0.21
    dioctyl adipate 3.27
    dimethyl sulfate 20.94
    ethyl butyrate 1.56
    methyl lactate 40.66
    butyl lactate 6.89
    diethyl carbonate 0.96
    propanediol butyl ether 33.27
    triethyl orthoformate 1.91
    p-tert-butyltoluene 0.2
    methyl 4-tert-butylbenzoate 5.1
    morpholine 74.56
    tert-butylamine 2.16
    n-dodecanol 2.61
    dimethoxymethane 112.32
    ethylene carbonate 5.52
    cyrene 18.32
    2-ethoxyethyl acetate 9.94
    2-ethylhexyl acetate 0.54
    1,2,4-trichlorobenzene 0.31
    4-methylpyridine 4.96
    dibutyl ether 3.15
    2,6-dimethyl-4-heptanol 0.72
    DEF 25.97
    dimethyl isosorbide 14.67
    tetrachloroethylene 0.95
    eugenol 6.99
    triacetin 8.21
    span 80 16.89
    1,4-butanediol 32.47
    1,1-dichloroethane 0.48
    2-methyl-1-pentanol 2.08
    methyl formate 60.35
    2-methyl-1-butanol 5.29
    n-decane 0.34
    butyronitrile 4.25
    3,7-dimethyl-1-octanol 2.05
    1-chlorooctane 0.89
    1-chlorotetradecane 0.35
    n-nonane 0.3
    undecane 0.23
    tert-butylcyclohexane 0.02
    cyclooctane 0.09
    cyclopentanol 16.1
    tetrahydropyran 16.74
    tert-amyl methyl ether 2.99
    2,5,8-trioxanonane 39.32
    1-hexene 0.18
    2-isopropoxyethanol 32.05
    2,2,2-trifluoroethanol 32.27
    methyl butyrate 3.83

    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