Skimmin

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  • Identifiers

    CAS number
    93-39-0

    Molecular formula
    C15H16O8

    SMILES
    C1=CC(=CC2=C1C=CC(=O)O2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 62.18%
    Sweet 41.57%
    Vanilla 34.67%
    Caramellic 24.6%
    Milky 23.22%
    Creamy 22.85%
    Phenolic 21.99%
    Bitter 20.73%
    Burnt 19.56%
    Savory 19.45%

     

    Flavor
    Bitter 75.4%
    Odorless 31.79%
    Bland 26.96%
    Sweet-like 26.45%
    Sweet 24.34%
    Very mild 20.55%
    Naphthalic 20.44%
    Cedarleaf 20.11%
    Very slight 20.0%
    Cauliflower 19.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.7

    pKa est.
    6.43 (neutral)

    Molecular weight
    324.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1657°C

    Flash point

    • 261.32 ˚C est.

  • Synonyms

    • Skimmin
    • 93-39-0
    • Skimmine
    • H072F03PQN
    • 7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
    • DTXSID201018989
    • NSC-267696
    • 2H-1-Benzopyran-2-one, 7-(beta-D-glucopyranosyloxy)-
    • 7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxychromen-2-one
    • RefChem:183355
    • DTXCID401476993
    • 7-Hydroxycoumarin glucoside
    • UMBELLIFERONE GLUCOSIDE
    • 7-Hydroxycoumarin-7-glucoside
    • MFCD00017710
    • 7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one
    • C15H16O8
    • UNII-H072F03PQN
    • Umbelliferone, beta-D-glucopyranoside
    • SKIMIN
    • NSC 267696
    • umbelliferone-glucoside
    • Glucopyranoside, umbelliferone, beta-D-
    • Coumarin, 7-(beta-D-glucopyranosyloxy)-
    • SKIMMIN [MI]
    • 2H-1-Benzopyran-2-one, 7-(.beta.-D-glucopyranosyloxy)-
    • SKIMMIN, (-)-
    • CHEMBL526377
    • orb1303634
    • SCHEMBL1944336
    • CHEBI:177698
    • HY-N2263
    • Skimmin, >=90% (LC/MS-UV)
    • s9254
    • AKOS000277094
    • CCG-267743
    • coumarin-7-O-beta-D-glucose glycosidic
    • EBC-617164
    • FS66284
    • COUMARIN 7-O-.BETA.-D-GLUCOSIDE
    • 7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2H-chromen-2-one
    • AC-35014
    • AS-83344
    • DA-67627
    • CS-0019592
    • AH-214/21165011
    • UMBELLIFERONE 7-O-.BETA.-D-GLUCOPYRANOSIDE
    • 2-Oxo-2H-1-benzopyran-7-yl beta-D-glucopyranoside
    • Q15114711
    • 7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxychromen-2-one
    • 93-39-0

  • Applications

    Skimmin (CAS 93-39-0) is a natural flavonoid commonly regarded as a building block and starting material for the synthesis of flavonoid derivatives, and is studied as an antioxidant in cosmetic and personal care formulations. In industrial manufacturing, it is often treated as an intermediate for synthetic routes and has potential as an antioxidant additive for plastics and polymer systems; in agriculture, skimmin is of interest as a scaffold for plant-derived analogues and as a basis for lead compounds in research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.89
    methanol 4.63
    isopropanol 2.19
    water 1.37
    ethyl acetate 0.19
    n-propanol 2.25
    acetone 1.41
    n-butanol 2.05
    acetonitrile 0.35
    DMF 40.85
    toluene 0.12
    isobutanol 0.87
    1,4-dioxane 4.03
    methyl acetate 0.34
    THF 11.16
    2-butanone 0.98
    n-pentanol 0.73
    sec-butanol 1.75
    n-hexane 0.01
    ethylene glycol 16.94
    NMP 20.69
    cyclohexane 0.03
    DMSO 184.46
    n-butyl acetate 0.14
    n-octanol 0.76
    chloroform 0.01
    n-propyl acetate 0.14
    acetic acid 6.94
    dichloromethane 0.01
    cyclohexanone 1.97
    propylene glycol 10.03
    isopropyl acetate 0.19
    DMAc 47.68
    2-ethoxyethanol 18.72
    isopentanol 1.29
    n-heptane 0.07
    ethyl formate 0.34
    1,2-dichloroethane 0.04
    n-hexanol 0.51
    2-methoxyethanol 52.89
    isobutyl acetate 0.07
    tetrachloromethane 0.01
    n-pentyl acetate 0.33
    transcutol 30.31
    n-heptanol 1.01
    ethylbenzene 0.06
    MIBK 0.49
    2-propoxyethanol 7.74
    tert-butanol 1.83
    MTBE 0.37
    2-butoxyethanol 5.32
    propionic acid 1.43
    o-xylene 0.14
    formic acid 30.37
    diethyl ether 0.41
    m-xylene 0.11
    p-xylene 0.07
    chlorobenzene 0.02
    dimethyl carbonate 0.88
    n-octane 0.04
    formamide 41.67
    cyclopentanone 3.61
    2-pentanone 0.75
    anisole 0.27
    cyclopentyl methyl ether 1.26
    gamma-butyrolactone 3.6
    1-methoxy-2-propanol 26.22
    pyridine 1.22
    3-pentanone 0.5
    furfural 4.07
    n-dodecane 0.03
    diethylene glycol 18.48
    diisopropyl ether 0.1
    tert-amyl alcohol 1.61
    acetylacetone 1.51
    n-hexadecane 0.04
    acetophenone 0.49
    methyl propionate 0.56
    isopentyl acetate 0.21
    trichloroethylene 0.05
    n-nonanol 0.89
    cyclohexanol 1.48
    benzyl alcohol 0.83
    2-ethylhexanol 0.33
    isooctanol 0.69
    dipropyl ether 0.66
    1,2-dichlorobenzene 0.02
    ethyl lactate 1.01
    propylene carbonate 0.64
    n-methylformamide 9.97
    2-pentanol 0.87
    n-pentane 0.02
    1-propoxy-2-propanol 4.42
    1-methoxy-2-propyl acetate 1.06
    2-(2-methoxypropoxy) propanol 5.98
    mesitylene 0.08
    ε-caprolactone 1.56
    p-cymene 0.11
    epichlorohydrin 1.87
    1,1,1-trichloroethane 0.01
    2-aminoethanol 15.36
    morpholine-4-carbaldehyde 27.83
    sulfolane 17.0
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.87
    n-hexyl acetate 0.53
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 9.7
    sec-butyl acetate 0.1
    tert-butyl acetate 0.41
    decalin 0.01
    glycerin 42.73
    diglyme 17.25
    acrylic acid 2.47
    isopropyl myristate 0.29
    n-butyric acid 1.18
    acetyl acetate 0.19
    di(2-ethylhexyl) phthalate 0.54
    ethyl propionate 0.16
    nitromethane 7.37
    1,2-diethoxyethane 1.67
    benzonitrile 0.2
    trioctyl phosphate 0.43
    1-bromopropane 0.03
    gamma-valerolactone 13.49
    n-decanol 0.66
    triethyl phosphate 0.37
    4-methyl-2-pentanol 0.38
    propionitrile 0.24
    vinylene carbonate 0.5
    1,1,2-trichlorotrifluoroethane 5.82
    DMS 0.45
    cumene 0.05
    2-octanol 0.53
    2-hexanone 0.33
    octyl acetate 0.46
    limonene 0.17
    1,2-dimethoxyethane 11.7
    ethyl orthosilicate 0.38
    tributyl phosphate 0.39
    diacetone alcohol 3.74
    N,N-dimethylaniline 0.39
    acrylonitrile 0.5
    aniline 0.55
    1,3-propanediol 20.98
    bromobenzene 0.01
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.07
    2-methyl-cyclohexyl acetate 0.36
    tetrabutyl urea 1.19
    diisobutyl methanol 0.3
    2-phenylethanol 0.6
    styrene 0.04
    dioctyl adipate 0.68
    dimethyl sulfate 3.1
    ethyl butyrate 0.25
    methyl lactate 4.15
    butyl lactate 1.08
    diethyl carbonate 0.18
    propanediol butyl ether 6.1
    triethyl orthoformate 0.54
    p-tert-butyltoluene 0.11
    methyl 4-tert-butylbenzoate 1.84
    morpholine 10.54
    tert-butylamine 0.36
    n-dodecanol 0.47
    dimethoxymethane 10.6
    ethylene carbonate 0.39
    cyrene 6.84
    2-ethoxyethyl acetate 0.87
    2-ethylhexyl acetate 0.14
    1,2,4-trichlorobenzene 0.05
    4-methylpyridine 0.56
    dibutyl ether 0.51
    2,6-dimethyl-4-heptanol 0.3
    DEF 3.27
    dimethyl isosorbide 6.69
    tetrachloroethylene 0.07
    eugenol 2.39
    triacetin 1.34
    span 80 3.98
    1,4-butanediol 5.67
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.56
    methyl formate 3.93
    2-methyl-1-butanol 1.2
    n-decane 0.06
    butyronitrile 0.25
    3,7-dimethyl-1-octanol 0.5
    1-chlorooctane 0.13
    1-chlorotetradecane 0.06
    n-nonane 0.05
    undecane 0.04
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 2.17
    tetrahydropyran 1.43
    tert-amyl methyl ether 0.58
    2,5,8-trioxanonane 14.14
    1-hexene 0.04
    2-isopropoxyethanol 5.1
    2,2,2-trifluoroethanol 2.89
    methyl butyrate 0.29

    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