Icariin

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  • Identifiers

    CAS number
    489-32-7

    Molecular formula
    C33H40O15

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 59.33%
    Vanilla 35.14%
    Sweet 34.01%
    Spicy 26.42%
    Phenolic 23.87%
    Milky 22.98%
    Creamy 20.12%
    Smoky 19.73%
    Balsamic 19.12%
    Savory 18.3%

     

    Flavor
    Bitter 80.76%
    Bland 31.67%
    Odorless 26.89%
    Sweet-like 24.5%
    Cedarleaf 20.85%
    Parsley 20.14%
    Lovage 19.53%
    Eugenol 19.22%
    Leaves 18.7%
    Ethyl benzoate 18.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.1 (weak base)

    Molecular weight
    676.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5755°C

    Flash point

    • 274.13 ˚C est.

  • Synonyms

    • Icariin
    • 489-32-7
    • Ieariline
    • VNM47R2QSQ
    • Epimedii herba icariin
    • CHEBI:78420
    • DTXSID00964133
    • 3-((6-Deoxymannopyranosyl)oxy)-7-(glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
    • 5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
    • 5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
    • RefChem:147596
    • DTXCID301391843
    • 610-440-0
    • 5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
    • Icariine
    • MFCD00210516
    • Icarrin
    • 5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4H-chromen-4-one
    • C33H40O15
    • 3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside
    • SMR000466309
    • UNII-VNM47R2QSQ
    • -Anhydroicaritin
    • Icariin CRS
    • 5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H
    • Icariin (Standard)
    • Horny goat weed extract
    • Spectrum2_001695
    • Spectrum3_001130
    • Spectrum4_001975
    • Spectrum5_000933
    • Icariin, analytical standard
    • BSPBio_002599
    • KBioGR_002475
    • MLS000759413
    • MLS001424083
    • MLS006011789
    • SCHEMBL312615
    • SPECTRUM1505257
    • SPBio_001650
    • CHEMBL553204
    • orb1304925
    • Icariin, >=94% (HPLC)
    • SCHEMBL30140586
    • GTPL13728
    • HY-N0014R
    • KBio3_002099
    • HMS2051J13
    • HMS2235I20
    • 3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
    • BB_NC-00999
    • EPIMEDII HERBA ICARIIN [MI]
    • EX-A6783
    • HY-N0014
    • MSK40107
    • BBL010487
    • BDBM50027363
    • CCG-38780
    • EBC-11084
    • STK801622
    • AKOS005614005
    • CCG-100955
    • CS-3675
    • DB12052
    • MI08119
    • NC00205
    • SDCCGMLS-0066754.P001
    • NCGC00178583-01
    • 4H-1-Benzopyran-4-one, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-
    • 5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one
    • VS-02526
    • NS00014970
    • C17555
    • 4'-Me ether, 3-O-alpha- L -rhamnopyranoside;
    • AB00639912-06
    • 489I327
    • A827628
    • SR-01000759346
    • Q5985057
    • SR-01000759346-4
    • BRD-K65639003-001-02-5
    • BRD-K65639003-001-05-8
    • BRD-K65639003-001-09-0
    • 3-[(6-Deoxy-?-L-mannopyranosyl)oxy]-7-?-D-glucopyranosyloxy-5-hydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
    • 3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranoside
    • 4H-1-BENZOPYRAN-4-ONE, 3-((6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)OXY)-7-(.BETA.-D-GLUCOPYRANOSYLOXY)-5-HYDROXY-2-(4-METHOXYPHENYL)-8-(3-METHYL-2-BUTEN-1-YL)-
    • 5-Hydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-7-(((2S,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-(((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
    • 5-HYDROXY-2-(4-METHOXYPHENYL)-8-(3-METHYLBUT-2-EN-1-YL)-7-{[3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-3-[(3,4,5-TRIHYDROXY-6-METHYLOXAN-2-YL)OXY]-4H-CHROMEN-4-ONE
    • 489-32-7

  • Applications

    Icariin (CAS 489-32-7) is a flavonoid glycoside isolated from Epimedium species. In industry it is mainly used as an intermediate for the chemical synthesis of other flavonoid derivatives and as a research reagent in pharmaceutical and medicinal chemistry programs. It also appears in botanical extracts used in nutraceutical/dietary supplement formulations. In cosmetics and personal care, icariin is evaluated as a plant-derived active ingredient with antioxidant potential and skin-conditioning effects.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.37
    methanol 2.1
    isopropanol 0.4
    water 0.03
    ethyl acetate 0.31
    n-propanol 0.74
    acetone 0.62
    n-butanol 0.45
    acetonitrile 0.2
    DMF 7.23
    toluene 0.11
    isobutanol 0.36
    1,4-dioxane 2.72
    methyl acetate 0.86
    THF 4.4
    2-butanone 1.12
    n-pentanol 0.32
    sec-butanol 0.6
    n-hexane 0.01
    ethylene glycol 1.76
    NMP 15.02
    cyclohexane 0.02
    DMSO 7.52
    n-butyl acetate 0.15
    n-octanol 0.29
    chloroform 0.67
    n-propyl acetate 0.2
    acetic acid 5.27
    dichloromethane 0.65
    cyclohexanone 1.56
    propylene glycol 3.07
    isopropyl acetate 0.17
    DMAc 12.21
    2-ethoxyethanol 2.39
    isopentanol 0.26
    n-heptane 0.01
    ethyl formate 0.51
    1,2-dichloroethane 0.38
    n-hexanol 0.17
    2-methoxyethanol 5.84
    isobutyl acetate 0.09
    tetrachloromethane 0.08
    n-pentyl acetate 0.42
    transcutol 6.53
    n-heptanol 0.3
    ethylbenzene 0.04
    MIBK 0.18
    2-propoxyethanol 1.89
    tert-butanol 0.32
    MTBE 0.23
    2-butoxyethanol 1.88
    propionic acid 2.06
    o-xylene 0.07
    formic acid 5.33
    diethyl ether 0.27
    m-xylene 0.05
    p-xylene 0.04
    chlorobenzene 0.08
    dimethyl carbonate 1.08
    n-octane 0.01
    formamide 3.7
    cyclopentanone 2.96
    2-pentanone 0.45
    anisole 0.18
    cyclopentyl methyl ether 0.61
    gamma-butyrolactone 4.27
    1-methoxy-2-propanol 3.73
    pyridine 1.39
    3-pentanone 0.47
    furfural 3.56
    n-dodecane 0.01
    diethylene glycol 2.79
    diisopropyl ether 0.04
    tert-amyl alcohol 0.47
    acetylacetone 0.78
    n-hexadecane 0.01
    acetophenone 0.31
    methyl propionate 0.86
    isopentyl acetate 0.13
    trichloroethylene 1.03
    n-nonanol 0.31
    cyclohexanol 0.45
    benzyl alcohol 0.44
    2-ethylhexanol 0.09
    isooctanol 0.19
    dipropyl ether 0.18
    1,2-dichlorobenzene 0.07
    ethyl lactate 0.6
    propylene carbonate 0.95
    n-methylformamide 3.13
    2-pentanol 0.25
    n-pentane 0.01
    1-propoxy-2-propanol 1.24
    1-methoxy-2-propyl acetate 0.59
    2-(2-methoxypropoxy) propanol 1.93
    mesitylene 0.02
    ε-caprolactone 1.78
    p-cymene 0.03
    epichlorohydrin 3.33
    1,1,1-trichloroethane 0.12
    2-aminoethanol 1.81
    morpholine-4-carbaldehyde 10.9
    sulfolane 10.04
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 1.19
    n-hexyl acetate 0.5
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.73
    sec-butyl acetate 0.11
    tert-butyl acetate 0.19
    decalin 0.0
    glycerin 8.6
    diglyme 4.37
    acrylic acid 3.57
    isopropyl myristate 0.12
    n-butyric acid 1.13
    acetyl acetate 0.26
    di(2-ethylhexyl) phthalate 0.25
    ethyl propionate 0.2
    nitromethane 5.27
    1,2-diethoxyethane 0.64
    benzonitrile 0.17
    trioctyl phosphate 0.19
    1-bromopropane 0.13
    gamma-valerolactone 9.14
    n-decanol 0.18
    triethyl phosphate 0.14
    4-methyl-2-pentanol 0.1
    propionitrile 0.25
    vinylene carbonate 0.98
    1,1,2-trichlorotrifluoroethane 9.06
    DMS 0.53
    cumene 0.02
    2-octanol 0.19
    2-hexanone 0.28
    octyl acetate 0.26
    limonene 0.05
    1,2-dimethoxyethane 2.35
    ethyl orthosilicate 0.14
    tributyl phosphate 0.18
    diacetone alcohol 1.01
    N,N-dimethylaniline 0.16
    acrylonitrile 0.53
    aniline 0.36
    1,3-propanediol 1.87
    bromobenzene 0.05
    dibromomethane 0.25
    1,1,2,2-tetrachloroethane 1.01
    2-methyl-cyclohexyl acetate 0.16
    tetrabutyl urea 0.34
    diisobutyl methanol 0.06
    2-phenylethanol 0.25
    styrene 0.04
    dioctyl adipate 0.32
    dimethyl sulfate 2.7
    ethyl butyrate 0.15
    methyl lactate 2.69
    butyl lactate 0.91
    diethyl carbonate 0.1
    propanediol butyl ether 2.92
    triethyl orthoformate 0.23
    p-tert-butyltoluene 0.03
    methyl 4-tert-butylbenzoate 0.7
    morpholine 3.92
    tert-butylamine 0.09
    n-dodecanol 0.11
    dimethoxymethane 3.28
    ethylene carbonate 0.67
    cyrene 2.86
    2-ethoxyethyl acetate 1.09
    2-ethylhexyl acetate 0.1
    1,2,4-trichlorobenzene 0.18
    4-methylpyridine 0.57
    dibutyl ether 0.16
    2,6-dimethyl-4-heptanol 0.06
    DEF 1.29
    dimethyl isosorbide 1.89
    tetrachloroethylene 0.66
    eugenol 0.81
    triacetin 1.02
    span 80 1.97
    1,4-butanediol 0.75
    1,1-dichloroethane 0.18
    2-methyl-1-pentanol 0.22
    methyl formate 2.68
    2-methyl-1-butanol 0.38
    n-decane 0.01
    butyronitrile 0.15
    3,7-dimethyl-1-octanol 0.15
    1-chlorooctane 0.06
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 0.94
    tetrahydropyran 0.94
    tert-amyl methyl ether 0.27
    2,5,8-trioxanonane 3.11
    1-hexene 0.03
    2-isopropoxyethanol 1.08
    2,2,2-trifluoroethanol 2.29
    methyl butyrate 0.32

    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