Poncirin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    14941-08-3

    Molecular formula
    C28H34O14

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)OC)O)CO)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 66.88%
    Sweet 41.59%
    Vanilla 39.51%
    Milky 23.26%
    Creamy 22.45%
    Spicy 21.6%
    Phenolic 21.56%
    Bitter 18.29%
    Balsamic 18.06%
    Savory 17.76%

     

    Flavor
    Bitter 73.87%
    Bland 30.97%
    Odorless 28.43%
    Sweet-like 27.96%
    Fatty 22.06%
    Cedarleaf 20.98%
    Parsley 19.94%
    Naphthalic 19.7%
    Cauliflower 19.68%
    Lovage 19.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.2

    pKa est.
    6.29 (neutral)

    Molecular weight
    594.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4781°C

    Flash point

    • 239.3 ˚C est.

  • Synonyms

    • Poncirin
    • 14941-08-3
    • Isosakuranetin-7-O-neohesperidoside
    • 8MUY4P95B4
    • Isosakuranetin 7-O-neohesperidoside
    • (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
    • DTXSID00933642
    • (S)-7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-methoxyphenyl)-4H-benzopyran-4-one
    • (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)chroman-4-one
    • (2S)-7-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-2-yl)oxy-5-hydroxy-2-(4-methoxyphenyl)chroman-4-one
    • (2S)-7-((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)oxy-5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
    • RefChem:929874
    • GlyTouCan:G75684ZH
    • DTXCID801362300
    • G75684ZH
    • 4H-1-Benzopyran-4-one, 7-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-methoxyphenyl)-, (2S)-
    • 239-020-1
    • (2S)-poncirin
    • Citrifolioside
    • CHEBI:66773
    • MFCD23380546
    • UNII-8MUY4P95B4
    • EINECS 239-020-1
    • Isosakuranetin-7-O-beta-D-neohesperidoside
    • Poncirin (Standard)
    • PoncirinCitrifolioside
    • SureCN123069
    • Poncirin, analytical standard
    • SCHEMBL123069
    • CHEMBL451050
    • SCHEMBL30423309
    • HY-N2258R
    • NLAWPKPYBMEWIR-SKYQDXIQSA-N
    • HY-N2258
    • MSK40169
    • s9165
    • AKOS037514792
    • CCG-270181
    • EBC-102120
    • FP65442
    • NCGC00163611-01
    • (2S)-7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
    • AC-34235
    • CS-0019587
    • C09830
    • Q3388129
    • (2S)-5-Hydroxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
    • (2S)-5-hydroxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
    • (2s)-7-[(2s,3r,4s,5s,6r)-4,5-dihydroxy6-(hydroxymethyl)-3-[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2(4-methoxyphenyl)-2,3-dihydrochromen-4-one
    • (S)-7-((2-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2,3-DIHYDRO-5-HYDROXY-2-(4-METHOXYPHENYL)-4H-BENZOPYRAN-4-ONE
    • 4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-.alpha.-L-mannopyranosyl)-.beta.-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-methoxyphenyl)-, (2S)-
    • 5,7-Dihydroxy-4'-methoxyflavanone, 7-(2-O-.alpha.-L-rhamnopyranosyl-.beta.-D-glucopyranoside)
    • 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
    • 14941-08-3

  • Applications

    Poncirin (CAS 14941-08-3) is a natural flavanone glycoside derived from Citrus species, recognized as a plant-derived phytochemical with potential applications in several industries. In practice, its use centers on four areas: as an antioxidant/bioactive ingredient in cosmetics and personal care formulations; as a bioactive constituent studied for nutraceuticals or functional foods; as an analytical reference standard and target for method development (LC-MS/HPLC) in phytochemical analysis; and as an intermediate or building block in the synthesis of flavonoid derivatives for research and product development. It can be sourced from citrus byproducts, aligning with sustainable chemistry, and its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.24
    methanol 6.3
    isopropanol 0.09
    water 0.02
    ethyl acetate 0.51
    n-propanol 0.59
    acetone 0.54
    n-butanol 0.52
    acetonitrile 0.27
    DMF 25.59
    toluene 0.09
    isobutanol 0.2
    1,4-dioxane 2.86
    methyl acetate 0.81
    THF 3.17
    2-butanone 0.9
    n-pentanol 0.16
    sec-butanol 0.22
    n-hexane 0.0
    ethylene glycol 3.16
    NMP 26.82
    cyclohexane 0.01
    DMSO 23.56
    n-butyl acetate 0.12
    n-octanol 0.28
    chloroform 0.37
    n-propyl acetate 0.16
    acetic acid 5.25
    dichloromethane 0.46
    cyclohexanone 1.89
    propylene glycol 4.65
    isopropyl acetate 0.19
    DMAc 21.72
    2-ethoxyethanol 4.71
    isopentanol 0.22
    n-heptane 0.01
    ethyl formate 1.31
    1,2-dichloroethane 0.29
    n-hexanol 0.08
    2-methoxyethanol 20.55
    isobutyl acetate 0.06
    tetrachloromethane 0.04
    n-pentyl acetate 0.32
    transcutol 11.72
    n-heptanol 0.25
    ethylbenzene 0.02
    MIBK 0.2
    2-propoxyethanol 3.04
    tert-butanol 0.09
    MTBE 0.08
    2-butoxyethanol 2.76
    propionic acid 1.85
    o-xylene 0.06
    formic acid 18.52
    diethyl ether 0.14
    m-xylene 0.05
    p-xylene 0.02
    chlorobenzene 0.09
    dimethyl carbonate 1.85
    n-octane 0.0
    formamide 12.43
    cyclopentanone 3.45
    2-pentanone 0.55
    anisole 0.21
    cyclopentyl methyl ether 0.47
    gamma-butyrolactone 6.3
    1-methoxy-2-propanol 7.68
    pyridine 1.31
    3-pentanone 0.51
    furfural 9.36
    n-dodecane 0.0
    diethylene glycol 6.25
    diisopropyl ether 0.02
    tert-amyl alcohol 0.16
    acetylacetone 1.57
    n-hexadecane 0.0
    acetophenone 0.36
    methyl propionate 1.27
    isopentyl acetate 0.1
    trichloroethylene 0.93
    n-nonanol 0.3
    cyclohexanol 0.29
    benzyl alcohol 0.47
    2-ethylhexanol 0.06
    isooctanol 0.15
    dipropyl ether 0.12
    1,2-dichlorobenzene 0.1
    ethyl lactate 0.9
    propylene carbonate 1.49
    n-methylformamide 11.96
    2-pentanol 0.12
    n-pentane 0.0
    1-propoxy-2-propanol 1.48
    1-methoxy-2-propyl acetate 0.86
    2-(2-methoxypropoxy) propanol 3.14
    mesitylene 0.02
    ε-caprolactone 2.42
    p-cymene 0.02
    epichlorohydrin 4.84
    1,1,1-trichloroethane 0.08
    2-aminoethanol 3.78
    morpholine-4-carbaldehyde 28.22
    sulfolane 19.76
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.62
    n-hexyl acetate 0.44
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 4.77
    sec-butyl acetate 0.08
    tert-butyl acetate 0.2
    decalin 0.0
    glycerin 22.66
    diglyme 9.15
    acrylic acid 4.26
    isopropyl myristate 0.11
    n-butyric acid 1.78
    acetyl acetate 0.5
    di(2-ethylhexyl) phthalate 0.34
    ethyl propionate 0.25
    nitromethane 12.75
    1,2-diethoxyethane 0.68
    benzonitrile 0.22
    trioctyl phosphate 0.23
    1-bromopropane 0.07
    gamma-valerolactone 22.4
    n-decanol 0.17
    triethyl phosphate 0.21
    4-methyl-2-pentanol 0.05
    propionitrile 0.3
    vinylene carbonate 2.25
    1,1,2-trichlorotrifluoroethane 16.41
    DMS 0.55
    cumene 0.01
    2-octanol 0.11
    2-hexanone 0.17
    octyl acetate 0.26
    limonene 0.04
    1,2-dimethoxyethane 4.6
    ethyl orthosilicate 0.18
    tributyl phosphate 0.2
    diacetone alcohol 1.19
    N,N-dimethylaniline 0.14
    acrylonitrile 0.88
    aniline 0.34
    1,3-propanediol 4.2
    bromobenzene 0.06
    dibromomethane 0.13
    1,1,2,2-tetrachloroethane 0.75
    2-methyl-cyclohexyl acetate 0.14
    tetrabutyl urea 0.44
    diisobutyl methanol 0.04
    2-phenylethanol 0.21
    styrene 0.02
    dioctyl adipate 0.41
    dimethyl sulfate 5.69
    ethyl butyrate 0.21
    methyl lactate 5.46
    butyl lactate 1.02
    diethyl carbonate 0.15
    propanediol butyl ether 4.26
    triethyl orthoformate 0.3
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 1.04
    morpholine 4.03
    tert-butylamine 0.02
    n-dodecanol 0.1
    dimethoxymethane 7.44
    ethylene carbonate 1.29
    cyrene 5.61
    2-ethoxyethyl acetate 1.21
    2-ethylhexyl acetate 0.07
    1,2,4-trichlorobenzene 0.18
    4-methylpyridine 0.63
    dibutyl ether 0.14
    2,6-dimethyl-4-heptanol 0.04
    DEF 2.3
    dimethyl isosorbide 3.88
    tetrachloroethylene 0.49
    eugenol 1.39
    triacetin 1.5
    span 80 2.69
    1,4-butanediol 0.99
    1,1-dichloroethane 0.09
    2-methyl-1-pentanol 0.12
    methyl formate 9.25
    2-methyl-1-butanol 0.31
    n-decane 0.01
    butyronitrile 0.22
    3,7-dimethyl-1-octanol 0.13
    1-chlorooctane 0.04
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.45
    tetrahydropyran 0.53
    tert-amyl methyl ether 0.15
    2,5,8-trioxanonane 6.81
    1-hexene 0.01
    2-isopropoxyethanol 1.12
    2,2,2-trifluoroethanol 3.34
    methyl butyrate 0.44

    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