Ellagic Acid

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  • Identifiers

    CAS number
    476-66-4

    Molecular formula
    C14H6O8

    SMILES
    C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 65.07%
    Burnt 34.42%
    Phenolic 34.21%
    Caramellic 15.83%
    Fruity 15.72%
    Savory 15.35%
    Balsamic 15.15%
    Dry 15.13%
    Bitter 14.88%
    Smoky 14.61%

     

    Flavor
    Bitter 92.83%
    Odorless 28.3%
    Sweet-like 20.56%
    Bland 19.75%
    Rotten 19.15%
    Nitrile 18.92%
    Very strong 18.9%
    Cedarleaf 18.88%
    Formyl 18.73%
    Indole 18.62%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    6.95 (neutral)

    Molecular weight
    302.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    935°C

    Melting point expt.

    • greater than 680 °F (NTP, 1992)
    • Greater than 360°C
    • >360 °C
    • mp: >300 °C /Hydrate, technical grade/
    • > 360 °C

    Flash point

    • 306.61 ˚C est.

    Solubility expt.

    • less than 1 mg/mL at 70 °F (NTP, 1992)
    • Slightly soluble in alcohol or water
    • Slightly soluble in alcohol; soluble in alkalies, in pyridine. Practically insoluble in ether

  • Synonyms

    • ellagic acid
    • 476-66-4
    • Benzoaric acid
    • Lagistase
    • Eleagic acid
    • Elagostasine
    • Alizarine Yellow
    • 2,3,7,8-Tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione
    • Gallogen
    • Acide ellagique
    • Acido elagico
    • Llagic acid
    • Acidum ellagicum
    • Gallogen (astringent)
    • C.I. 55005
    • C.I. 75270
    • DTXSID2020557
    • 19YRN3ZS9P
    • NSC407286
    • NSC-407286
    • NSC-656272
    • NSC656272
    • 2,3,7,8-Tetrahydroxy(1)benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione
    • DTXCID60557
    • CHEBI:4775
    • 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
    • 2,3,7,8-tetrahydroxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione
    • (1)Benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 2,3,7,8-tetrahydroxy-
    • Acid, Benzoaric
    • [1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2,3,7,8-tetrahydroxy-
    • Acid, Ellagic
    • 2,3,7,8-tetrahydroxychromeno(5,4,3-cde)chromene-5,10-dione
    • 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo(6.6.2.0^(4,16).0^(11,15))hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
    • 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo(6.6.2.04,16.011,15)hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
    • 6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
    • RefChem:5789
    • 4,4',5,5',6,6'-Hexahydrodiphenic acid 2,6,2',6'-dilactone
    • 2,3,7,8-Tetrahydroxy(1)benzopyrano(5,4,3-cde)(1)-benzopyran-5,10-dione
    • 207-508-3
    • Ellagicacid
    • Ellagate
    • Gallogen, astringent
    • MLS000069632
    • eleagicacid
    • CHEMBL6246
    • SMR000058244
    • MFCD00006914
    • 4,4',5,5',6,6'-hexahydroxydiphenic acid 2,6,2',6'-dilactone
    • tetrahydroxy[?]dione
    • NCGC00017245-02
    • 2,3,7,8-Tetrahydroxy(1)benzopyrano(5,4,3-cde)-(1)benzopyran-5,10-dione
    • Gallogen (VAN)
    • C14H6O8
    • Ellagic acid [INN:DCF]
    • CAS-476-66-4
    • Acido elagico [INN-Spanish]
    • CCRIS 774
    • Acide ellagique [INN-French]
    • Acidum ellagicum [INN-Latin]
    • SR-01000721925
    • EINECS 207-508-3
    • UNII-19YRN3ZS9P
    • NSC 407286
    • NSC 656272
    • BRN 0047549
    • Benzoarate
    • Ellagsaeure
    • Eleagate
    • Ellagic
    • Llagate
    • ellagic-acid
    • Elagic Acid
    • HSDB 7574
    • 2zjw
    • REF
    • Ellagic acid, 96%
    • Spectrum_001194
    • Ellagic acid - 97%
    • Ellagic acid (Standard)
    • Diphenic acid, 4,4',5,5',6,6'-hexahydroxy-, di-delta-lactone
    • Spectrum2_000905
    • Spectrum3_001535
    • Spectrum4_000750
    • Spectrum5_000959
    • ELLAGIC ACID [MI]
    • ELLAGIC ACID [INN]
    • ELLAGIC ACID [HSDB]
    • Oprea1_032884
    • SCHEMBL20429
    • BSPBio_002950
    • KBioGR_001080
    • KBioSS_001674
    • 5-19-07-00108 (Beilstein Handbook Reference)
    • MLS006011868
    • BIDD:ER0482
    • BIDD:GT0565
    • SPECTRUM1502245
    • SPBio_000750
    • ELLAGIC ACID [WHO-DD]
    • BDBM4078
    • LTK-20
    • orb1310586
    • SCHEMBL29439360
    • SCHEMBL30475160
    • BCBcMAP01_000154
    • cid_5281855
    • GTPL13035
    • HY-B0183R
    • KBio2_001674
    • KBio2_004242
    • KBio2_006810
    • KBio3_002450
    • Ellagic acid, analytical standard
    • WLZ4635
    • HMS1921N20
    • HMS3673M09
    • HMS6019K05
    • Pharmakon1600-01502245
    • BB_NC-03361
    • HY-B0183
    • MSK40019
    • TNP00132
    • Tox21_110805
    • BBL009292
    • CCG-36358
    • EBC-13879
    • NSC758198
    • 476-66-4

  • Applications

    Ellagic Acid (CAS 476-66-4) is used in cosmetics and personal care as an antioxidant and skin-conditioning ingredient; in food processing, it is evaluated as a natural antioxidant and preservative to support shelf life; in pharmaceuticals and nutraceuticals, it is investigated as a bioactive polyphenol with antioxidant properties and as a potential nutraceutical ingredient; in polymers and plastics, it can serve as a bio-based building block or crosslinking agent for resins and biodegradable polymers; in coatings and inks, it is used as an antioxidant additive and stabilizer to enhance color stability and durability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.46
    methanol 0.47
    isopropanol 0.45
    water 0.1
    ethyl acetate 0.26
    n-propanol 0.49
    acetone 0.08
    n-butanol 0.33
    acetonitrile 0.06
    DMF 5.65
    toluene 0.09
    isobutanol 0.24
    1,4-dioxane 1.06
    methyl acetate 0.32
    THF 2.46
    2-butanone 0.36
    n-pentanol 0.21
    sec-butanol 0.56
    n-hexane 0.01
    ethylene glycol 1.6
    NMP 12.36
    cyclohexane 0.02
    DMSO 5.49
    n-butyl acetate 0.59
    n-octanol 0.87
    chloroform 0.0
    n-propyl acetate 0.22
    acetic acid 0.22
    dichloromethane 0.0
    cyclohexanone 0.4
    propylene glycol 1.04
    isopropyl acetate 0.3
    DMAc 13.87
    2-ethoxyethanol 2.7
    isopentanol 0.28
    n-heptane 0.07
    ethyl formate 0.15
    1,2-dichloroethane 0.02
    n-hexanol 0.39
    2-methoxyethanol 5.81
    isobutyl acetate 0.07
    tetrachloromethane 0.0
    n-pentyl acetate 0.88
    transcutol 6.35
    n-heptanol 0.98
    ethylbenzene 0.08
    MIBK 0.17
    2-propoxyethanol 4.82
    tert-butanol 0.6
    MTBE 0.34
    2-butoxyethanol 4.62
    propionic acid 0.5
    o-xylene 0.23
    formic acid 1.01
    diethyl ether 0.35
    m-xylene 0.11
    p-xylene 0.06
    chlorobenzene 0.01
    dimethyl carbonate 0.83
    n-octane 0.05
    formamide 2.91
    cyclopentanone 0.88
    2-pentanone 0.21
    anisole 0.34
    cyclopentyl methyl ether 1.1
    gamma-butyrolactone 1.65
    1-methoxy-2-propanol 5.0
    pyridine 0.77
    3-pentanone 0.29
    furfural 1.36
    n-dodecane 0.04
    diethylene glycol 5.6
    diisopropyl ether 0.14
    tert-amyl alcohol 0.8
    acetylacetone 0.28
    n-hexadecane 0.05
    acetophenone 0.51
    methyl propionate 0.76
    isopentyl acetate 0.48
    trichloroethylene 0.01
    n-nonanol 0.98
    cyclohexanol 0.47
    benzyl alcohol 0.41
    2-ethylhexanol 0.38
    isooctanol 0.63
    dipropyl ether 0.91
    1,2-dichlorobenzene 0.02
    ethyl lactate 0.92
    propylene carbonate 0.46
    n-methylformamide 1.58
    2-pentanol 0.34
    n-pentane 0.02
    1-propoxy-2-propanol 4.35
    1-methoxy-2-propyl acetate 2.26
    2-(2-methoxypropoxy) propanol 3.81
    mesitylene 0.09
    ε-caprolactone 0.96
    p-cymene 0.28
    epichlorohydrin 0.56
    1,1,1-trichloroethane 0.0
    2-aminoethanol 1.95
    morpholine-4-carbaldehyde 8.7
    sulfolane 4.39
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 1.08
    n-hexyl acetate 0.96
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 4.78
    sec-butyl acetate 0.21
    tert-butyl acetate 0.55
    decalin 0.02
    glycerin 4.53
    diglyme 7.34
    acrylic acid 0.64
    isopropyl myristate 0.51
    n-butyric acid 0.35
    acetyl acetate 0.1
    di(2-ethylhexyl) phthalate 0.61
    ethyl propionate 0.41
    nitromethane 0.4
    1,2-diethoxyethane 1.38
    benzonitrile 0.14
    trioctyl phosphate 0.57
    1-bromopropane 0.02
    gamma-valerolactone 2.5
    n-decanol 0.71
    triethyl phosphate 0.86
    4-methyl-2-pentanol 0.2
    propionitrile 0.16
    vinylene carbonate 0.3
    1,1,2-trichlorotrifluoroethane 1.32
    DMS 0.94
    cumene 0.08
    2-octanol 0.74
    2-hexanone 0.18
    octyl acetate 0.72
    limonene 0.3
    1,2-dimethoxyethane 2.76
    ethyl orthosilicate 0.83
    tributyl phosphate 0.46
    diacetone alcohol 1.6
    N,N-dimethylaniline 0.69
    acrylonitrile 0.25
    aniline 0.45
    1,3-propanediol 1.82
    bromobenzene 0.01
    dibromomethane 0.0
    1,1,2,2-tetrachloroethane 0.02
    2-methyl-cyclohexyl acetate 0.52
    tetrabutyl urea 1.34
    diisobutyl methanol 0.35
    2-phenylethanol 0.71
    styrene 0.05
    dioctyl adipate 0.73
    dimethyl sulfate 2.16
    ethyl butyrate 0.61
    methyl lactate 2.44
    butyl lactate 1.5
    diethyl carbonate 0.51
    propanediol butyl ether 3.22
    triethyl orthoformate 1.14
    p-tert-butyltoluene 0.31
    methyl 4-tert-butylbenzoate 2.24
    morpholine 2.85
    tert-butylamine 0.28
    n-dodecanol 0.5
    dimethoxymethane 2.96
    ethylene carbonate 0.26
    cyrene 2.71
    2-ethoxyethyl acetate 1.54
    2-ethylhexyl acetate 0.42
    1,2,4-trichlorobenzene 0.04
    4-methylpyridine 0.46
    dibutyl ether 0.55
    2,6-dimethyl-4-heptanol 0.35
    DEF 1.99
    dimethyl isosorbide 4.48
    tetrachloroethylene 0.02
    eugenol 2.08
    triacetin 1.35
    span 80 2.43
    1,4-butanediol 0.62
    1,1-dichloroethane 0.0
    2-methyl-1-pentanol 0.2
    methyl formate 0.47
    2-methyl-1-butanol 0.35
    n-decane 0.08
    butyronitrile 0.09
    3,7-dimethyl-1-octanol 0.47
    1-chlorooctane 0.15
    1-chlorotetradecane 0.08
    n-nonane 0.06
    undecane 0.06
    tert-butylcyclohexane 0.01
    cyclooctane 0.02
    cyclopentanol 0.63
    tetrahydropyran 0.46
    tert-amyl methyl ether 0.68
    2,5,8-trioxanonane 5.74
    1-hexene 0.03
    2-isopropoxyethanol 1.56
    2,2,2-trifluoroethanol 0.31
    methyl butyrate 0.37

    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