Norcimifugin

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  • Identifiers

    CAS number
    49624-66-0

    Molecular formula
    C15H16O6

    SMILES
    CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2O)C(=O)C=C(O3)CO)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 43.99%
    Sweet 38.14%
    Vanilla 32.67%
    Creamy 29.63%
    Powdery 26.33%
    Milky 25.28%
    Phenolic 24.89%
    Balsamic 22.48%
    Musk 21.78%
    Fruity 21.3%

     

    Flavor
    Bitter 74.41%
    Odorless 24.85%
    Bland 23.06%
    Sweet-like 20.92%
    Mild 20.87%
    Cedarleaf 20.04%
    Parsley 19.76%
    Ethyl benzoate 19.25%
    Lovage 19.08%
    Eugenol 19.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    8.35 (weak base)

    Molecular weight
    292.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1272°C

    Flash point

    • 252.17 ˚C est.

  • Synonyms

    • norcimifugin
    • 49624-66-0
    • (2S)-4-hydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one
    • (2S)-4-hydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro(3,2-g)chromen-5-one
    • RefChem:1092577
    • Angelicain
    • NORCIMIFUGIN(P)
    • (S)-4-Hydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-5H-furo[3,2-g]chromen-5-one
    • orb1297464
    • CHEMBL1077052
    • SCHEMBL29712093
    • HY-N6941
    • MFCD09264642
    • AKOS037514754
    • EBC-617453
    • (2S)-4-hydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2H,3H,5H-furo[3,2-g]chromen-5-one
    • DA-50470
    • MS-24175
    • CS-0066713
    • G13556
    • (2S)-4-hydroxy-7-(hydroxymethyl)-2-(1-hydroxy-1-methyl-ethyl)-2,3-dihydrofuro[3,2-g]chromen-5-one
    • (S)-4-Hydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2H-furo[3,2-g]chromen-5(3H)-one
    • 49624-66-0

  • Applications

    Norcimifugin (CAS 49624-66-0) is a natural product considered for several industrial applications as a specialty chemical intermediate, an analytical reference standard, and a research tool in phytochemistry and chemical science. It can be used as a building block for targeted synthetic sequences and as a reference standard for analytical methods (e.g., HPLC/GC) to quantify related compounds in plant extracts. In pharmacognosy research and product development, Norcimifugin is evaluated for biological activity and serves as a reference for structure–activity studies, without implying therapeutic efficacy. It also supports standardization and quality control of plant extracts in the natural products industry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.03
    methanol 45.37
    isopropanol 18.57
    water 0.57
    ethyl acetate 12.11
    n-propanol 16.29
    acetone 35.02
    n-butanol 15.05
    acetonitrile 22.08
    DMF 274.89
    toluene 0.91
    isobutanol 12.79
    1,4-dioxane 26.13
    methyl acetate 20.06
    THF 119.78
    2-butanone 26.76
    n-pentanol 11.42
    sec-butanol 12.23
    n-hexane 0.08
    ethylene glycol 46.12
    NMP 180.07
    cyclohexane 0.17
    DMSO 550.81
    n-butyl acetate 15.66
    n-octanol 7.28
    chloroform 7.89
    n-propyl acetate 18.16
    acetic acid 94.42
    dichloromethane 7.36
    cyclohexanone 43.87
    propylene glycol 44.57
    isopropyl acetate 11.53
    DMAc 295.89
    2-ethoxyethanol 81.83
    isopentanol 17.22
    n-heptane 0.16
    ethyl formate 21.74
    1,2-dichloroethane 6.82
    n-hexanol 9.22
    2-methoxyethanol 171.89
    isobutyl acetate 12.99
    tetrachloromethane 1.05
    n-pentyl acetate 11.26
    transcutol 120.81
    n-heptanol 8.32
    ethylbenzene 0.98
    MIBK 16.63
    2-propoxyethanol 80.48
    tert-butanol 25.26
    MTBE 5.09
    2-butoxyethanol 39.5
    propionic acid 31.33
    o-xylene 1.27
    formic acid 128.94
    diethyl ether 3.22
    m-xylene 1.31
    p-xylene 1.9
    chlorobenzene 1.92
    dimethyl carbonate 27.7
    n-octane 0.12
    formamide 164.36
    cyclopentanone 83.95
    2-pentanone 20.01
    anisole 7.47
    cyclopentyl methyl ether 15.71
    gamma-butyrolactone 101.15
    1-methoxy-2-propanol 122.91
    pyridine 15.1
    3-pentanone 10.6
    furfural 78.5
    n-dodecane 0.22
    diethylene glycol 120.67
    diisopropyl ether 1.46
    tert-amyl alcohol 16.13
    acetylacetone 36.39
    n-hexadecane 0.25
    acetophenone 17.26
    methyl propionate 22.28
    isopentyl acetate 16.76
    trichloroethylene 17.94
    n-nonanol 7.57
    cyclohexanol 14.05
    benzyl alcohol 18.34
    2-ethylhexanol 6.16
    isooctanol 7.57
    dipropyl ether 5.13
    1,2-dichlorobenzene 3.28
    ethyl lactate 32.75
    propylene carbonate 49.46
    n-methylformamide 115.62
    2-pentanol 7.87
    n-pentane 0.06
    1-propoxy-2-propanol 47.97
    1-methoxy-2-propyl acetate 34.8
    2-(2-methoxypropoxy) propanol 47.01
    mesitylene 1.04
    ε-caprolactone 47.84
    p-cymene 2.05
    epichlorohydrin 80.44
    1,1,1-trichloroethane 4.77
    2-aminoethanol 46.66
    morpholine-4-carbaldehyde 161.83
    sulfolane 184.03
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 26.8
    n-hexyl acetate 14.05
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 56.13
    sec-butyl acetate 10.22
    tert-butyl acetate 14.74
    decalin 0.21
    glycerin 126.37
    diglyme 92.24
    acrylic acid 42.61
    isopropyl myristate 6.3
    n-butyric acid 36.43
    acetyl acetate 11.22
    di(2-ethylhexyl) phthalate 11.95
    ethyl propionate 13.53
    nitromethane 147.96
    1,2-diethoxyethane 16.24
    benzonitrile 14.0
    trioctyl phosphate 9.73
    1-bromopropane 2.05
    gamma-valerolactone 147.27
    n-decanol 5.68
    triethyl phosphate 12.35
    4-methyl-2-pentanol 7.06
    propionitrile 15.86
    vinylene carbonate 41.46
    1,1,2-trichlorotrifluoroethane 113.2
    DMS 20.57
    cumene 1.14
    2-octanol 5.06
    2-hexanone 17.3
    octyl acetate 9.21
    limonene 2.59
    1,2-dimethoxyethane 91.27
    ethyl orthosilicate 10.15
    tributyl phosphate 11.68
    diacetone alcohol 53.64
    N,N-dimethylaniline 7.72
    acrylonitrile 29.74
    aniline 5.54
    1,3-propanediol 73.11
    bromobenzene 1.38
    dibromomethane 3.27
    1,1,2,2-tetrachloroethane 16.94
    2-methyl-cyclohexyl acetate 14.9
    tetrabutyl urea 19.4
    diisobutyl methanol 4.56
    2-phenylethanol 16.12
    styrene 1.03
    dioctyl adipate 13.36
    dimethyl sulfate 71.24
    ethyl butyrate 13.2
    methyl lactate 60.77
    butyl lactate 22.38
    diethyl carbonate 11.12
    propanediol butyl ether 42.75
    triethyl orthoformate 12.73
    p-tert-butyltoluene 1.91
    methyl 4-tert-butylbenzoate 22.5
    morpholine 55.81
    tert-butylamine 4.92
    n-dodecanol 4.18
    dimethoxymethane 81.65
    ethylene carbonate 35.54
    cyrene 62.07
    2-ethoxyethyl acetate 21.21
    2-ethylhexyl acetate 11.59
    1,2,4-trichlorobenzene 6.04
    4-methylpyridine 15.45
    dibutyl ether 4.42
    2,6-dimethyl-4-heptanol 4.56
    DEF 41.36
    dimethyl isosorbide 67.84
    tetrachloroethylene 8.71
    eugenol 30.43
    triacetin 24.75
    span 80 28.95
    1,4-butanediol 31.0
    1,1-dichloroethane 4.23
    2-methyl-1-pentanol 11.2
    methyl formate 82.39
    2-methyl-1-butanol 12.74
    n-decane 0.32
    butyronitrile 14.23
    3,7-dimethyl-1-octanol 7.4
    1-chlorooctane 1.62
    1-chlorotetradecane 0.87
    n-nonane 0.23
    undecane 0.26
    tert-butylcyclohexane 0.17
    cyclooctane 0.08
    cyclopentanol 23.04
    tetrahydropyran 12.64
    tert-amyl methyl ether 5.76
    2,5,8-trioxanonane 70.61
    1-hexene 0.5
    2-isopropoxyethanol 45.75
    2,2,2-trifluoroethanol 47.45
    methyl butyrate 24.46

    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