Neoeriocitrin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    13241-32-2

    Molecular formula
    C27H32O15

    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)O)O)O)CO)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 78.08%
    Vanilla 31.22%
    Sweet 25.83%
    Phenolic 22.69%
    Milky 21.18%
    Savory 20.51%
    Creamy 18.16%
    Smoky 18.05%
    Burnt 18.03%
    Spicy 17.2%

     

    Flavor
    Bitter 71.39%
    Odorless 33.67%
    Bland 32.88%
    Sweet-like 28.69%
    Very mild 20.44%
    Cedarleaf 20.43%
    Parsley 19.4%
    Very slight 19.39%
    Eugenol 19.36%
    Cauliflower 19.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.9

    pKa est.
    7.05 (neutral)

    Molecular weight
    596.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5044°C

    Flash point

    • 266.37 ˚C est.

  • Synonyms

    • Neoeriocitrin
    • 13241-32-2
    • Eriodictyol 7-O-neohesperidoside
    • CHEBI:7502
    • DTXSID70157530
    • (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-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-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-2-(3,4-dihydroxyphenyl)-5-hydroxy-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-2-(3,4-dihydroxyphenyl)-5-hydroxy-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-2-(3,4-dihydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one
    • RefChem:165236
    • GlyTouCan:G82933XM
    • DTXCID1080021
    • G82933XM
    • 236-215-3
    • eriodictyol-7-neohesperidoside
    • Eriodictyol 7-neohesperidoside
    • Eriodictyol-7-O-neohesperidoside
    • CHEMBL3609603
    • (S)-7-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-5-hydroxychroman-4-one
    • MFCD32661901
    • (2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
    • AC1L3FPQ
    • Isoeriocitrin
    • EINECS 236-215-3
    • Eriocitrin Impurity 1
    • Neoeriocitrin (Standard)
    • SureCN7203878
    • MEGxp0_001062
    • orb1297542
    • SCHEMBL7203878
    • Neoeriocitrin, ~95% (HPLC)
    • SCHEMBL29366330
    • ACon1_000964
    • HY-N4119R
    • EX-A6775
    • HY-N4119
    • MSK40164
    • BDBM50597717
    • AKOS037514509
    • EBC-616633
    • FS-7651
    • NCGC00169807-01
    • (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}-2-(3,4-dihydroxyphenyl)-5-hydroxy-3,4-dihydro-2H-1-benzopyran-4-one
    • OE137775
    • Neoeriocitrin, analytical reference material
    • CS-0032132
    • NS00024212
    • C09805
    • BRD-K49062828-001-01-6
    • Q13564785
    • Neoeriocitrineriodictyol-7-neohesperidoside; Eriodictyol 7-neohesperidoside
    • 3',4',5,7-Tetrahydroxy-flavanone 7-[2-O-(6-deoxy-a-L-mannopyranosyl)-b-D-glucopyranoside]
    • (S)-3',4',5,7-Tetrahydroxyflavanone-7-[2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside]
    • (S)-7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-4H-benzopyran-4-one
    • 13241-32-2

  • Applications

    Neoeriocitrin is a citrus-derived flavonoid glycoside that is commonly considered a natural antioxidant and is being evaluated for applications in cosmetics and food processing. In cosmetics and personal care, it may be used as an antioxidant additive and formulation stabilizer to help protect product quality. In the food and beverage sector, neoeriocitrin is evaluated as a natural antioxidant to limit oxidation during processing and storage. It is also explored as a stabilization or processing aid in coatings and polymer formulations. In pharmaceutical and agricultural research, neoeriocitrin is often examined as a flavonoid scaffold and chemical probe rather than a therapeutic claim, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.02
    methanol 15.07
    isopropanol 0.3
    water 0.06
    ethyl acetate 0.84
    n-propanol 1.85
    acetone 1.15
    n-butanol 1.49
    acetonitrile 0.45
    DMF 38.41
    toluene 0.1
    isobutanol 0.49
    1,4-dioxane 5.77
    methyl acetate 1.23
    THF 7.83
    2-butanone 1.76
    n-pentanol 0.38
    sec-butanol 0.6
    n-hexane 0.0
    ethylene glycol 8.78
    NMP 32.49
    cyclohexane 0.01
    DMSO 50.89
    n-butyl acetate 0.18
    n-octanol 0.51
    chloroform 0.28
    n-propyl acetate 0.24
    acetic acid 11.12
    dichloromethane 0.37
    cyclohexanone 2.87
    propylene glycol 11.99
    isopropyl acetate 0.3
    DMAc 30.18
    2-ethoxyethanol 11.56
    isopentanol 0.5
    n-heptane 0.01
    ethyl formate 2.11
    1,2-dichloroethane 0.31
    n-hexanol 0.18
    2-methoxyethanol 50.22
    isobutyl acetate 0.07
    tetrachloromethane 0.03
    n-pentyl acetate 0.49
    transcutol 17.38
    n-heptanol 0.48
    ethylbenzene 0.02
    MIBK 0.32
    2-propoxyethanol 6.02
    tert-butanol 0.21
    MTBE 0.14
    2-butoxyethanol 4.84
    propionic acid 3.13
    o-xylene 0.06
    formic acid 34.47
    diethyl ether 0.33
    m-xylene 0.05
    p-xylene 0.02
    chlorobenzene 0.07
    dimethyl carbonate 2.28
    n-octane 0.01
    formamide 23.99
    cyclopentanone 5.59
    2-pentanone 1.13
    anisole 0.26
    cyclopentyl methyl ether 0.8
    gamma-butyrolactone 8.47
    1-methoxy-2-propanol 17.3
    pyridine 2.0
    3-pentanone 0.75
    furfural 11.06
    n-dodecane 0.01
    diethylene glycol 12.01
    diisopropyl ether 0.03
    tert-amyl alcohol 0.34
    acetylacetone 2.4
    n-hexadecane 0.01
    acetophenone 0.4
    methyl propionate 1.89
    isopentyl acetate 0.14
    trichloroethylene 0.75
    n-nonanol 0.51
    cyclohexanol 0.52
    benzyl alcohol 0.66
    2-ethylhexanol 0.09
    isooctanol 0.26
    dipropyl ether 0.23
    1,2-dichlorobenzene 0.07
    ethyl lactate 1.3
    propylene carbonate 1.9
    n-methylformamide 18.99
    2-pentanol 0.29
    n-pentane 0.01
    1-propoxy-2-propanol 2.73
    1-methoxy-2-propyl acetate 1.24
    2-(2-methoxypropoxy) propanol 4.24
    mesitylene 0.03
    ε-caprolactone 3.59
    p-cymene 0.02
    epichlorohydrin 6.64
    1,1,1-trichloroethane 0.06
    2-aminoethanol 10.48
    morpholine-4-carbaldehyde 39.51
    sulfolane 23.72
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 1.35
    n-hexyl acetate 0.64
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 7.51
    sec-butyl acetate 0.11
    tert-butyl acetate 0.29
    decalin 0.0
    glycerin 44.07
    diglyme 13.6
    acrylic acid 6.38
    isopropyl myristate 0.16
    n-butyric acid 3.12
    acetyl acetate 0.55
    di(2-ethylhexyl) phthalate 0.41
    ethyl propionate 0.34
    nitromethane 18.56
    1,2-diethoxyethane 1.11
    benzonitrile 0.25
    trioctyl phosphate 0.32
    1-bromopropane 0.09
    gamma-valerolactone 33.65
    n-decanol 0.3
    triethyl phosphate 0.23
    4-methyl-2-pentanol 0.1
    propionitrile 0.46
    vinylene carbonate 2.41
    1,1,2-trichlorotrifluoroethane 18.87
    DMS 0.63
    cumene 0.01
    2-octanol 0.22
    2-hexanone 0.27
    octyl acetate 0.39
    limonene 0.05
    1,2-dimethoxyethane 8.7
    ethyl orthosilicate 0.2
    tributyl phosphate 0.25
    diacetone alcohol 2.02
    N,N-dimethylaniline 0.17
    acrylonitrile 1.2
    aniline 0.47
    1,3-propanediol 12.07
    bromobenzene 0.04
    dibromomethane 0.12
    1,1,2,2-tetrachloroethane 0.62
    2-methyl-cyclohexyl acetate 0.16
    tetrabutyl urea 0.62
    diisobutyl methanol 0.06
    2-phenylethanol 0.3
    styrene 0.03
    dioctyl adipate 0.52
    dimethyl sulfate 6.18
    ethyl butyrate 0.29
    methyl lactate 8.21
    butyl lactate 1.48
    diethyl carbonate 0.18
    propanediol butyl ether 7.24
    triethyl orthoformate 0.39
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 1.18
    morpholine 9.65
    tert-butylamine 0.04
    n-dodecanol 0.17
    dimethoxymethane 14.11
    ethylene carbonate 1.49
    cyrene 7.06
    2-ethoxyethyl acetate 1.81
    2-ethylhexyl acetate 0.1
    1,2,4-trichlorobenzene 0.13
    4-methylpyridine 0.86
    dibutyl ether 0.23
    2,6-dimethyl-4-heptanol 0.06
    DEF 3.68
    dimethyl isosorbide 4.72
    tetrachloroethylene 0.43
    eugenol 1.75
    triacetin 1.66
    span 80 3.85
    1,4-butanediol 2.35
    1,1-dichloroethane 0.09
    2-methyl-1-pentanol 0.21
    methyl formate 13.51
    2-methyl-1-butanol 0.63
    n-decane 0.01
    butyronitrile 0.39
    3,7-dimethyl-1-octanol 0.2
    1-chlorooctane 0.07
    1-chlorotetradecane 0.02
    n-nonane 0.01
    undecane 0.01
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.96
    tetrahydropyran 1.13
    tert-amyl methyl ether 0.24
    2,5,8-trioxanonane 9.53
    1-hexene 0.01
    2-isopropoxyethanol 2.43
    2,2,2-trifluoroethanol 4.83
    methyl butyrate 0.6

    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