Putranjivain A

Overview IFRA Request a quote

  • Identifiers

    CAS number
    131959-62-1

    Molecular formula
    C46H36O31

    SMILES
    C1C(C(C2(O1)C3C45CC(O2)(C6(C(C4C7=C(O6)C(=C(C=C7C(=O)OC8C9C(C(COC(=O)C1=CC(=C(C(=C1C1=C(C(=C(C=C1C(=O)O9)O)O)O)O)O)O)OC8OC(=O)C1=CC(=C(C(=C1)O)O)O)OC5=O)O)O)(O3)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 84.04%
    Phenolic 25.79%
    Burnt 19.91%
    Balsamic 16.63%
    Savory 15.47%
    Vanilla 15.2%
    Milky 14.86%
    Spicy 14.23%
    Smoky 14.16%
    Clean 14.0%

     

    Flavor
    Bitter 88.11%
    Bland 31.9%
    Odorless 29.36%
    Sweet-like 24.52%
    Very mild 20.18%
    Cedarleaf 19.8%
    Parsley 19.0%
    Lovage 18.97%
    Eugenol 18.56%
    Fenugreek 18.43%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    -2.8

    pKa est.
    3.87 (weak acid)

    Molecular weight
    1084.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    4691°C

    Flash point

    • 162.41 ˚C est.

  • Synonyms

    • Putranjivain A
    • DTXSID301317255
    • 131959-62-1
    • RefChem:177343
    • DTXCID901747076
    • 3',4',10,11,12,15,16,17,31,32,35,36,41-Tridecahydroxy-2,7,20,28-tetraoxospiro[3,6,21,24,27,34,37,40-octaoxadecacyclo[27.13.2.0~1,38~.0~4,23~.0~5,26~.0~8,13~.0~14,19~.0~33,44~.0~35,41~.0~36,43~]tetratetraconta-8,10,12,14,16,18,29(44),30,32-nonaene-39,2'-oxolan]-25-yl 3,4,5-trihydroxybenzoate
    • 131959-62-1

  • Applications

    Putranjivain A (CAS 131959-62-1) is a natural ellagitannin that is primarily considered as a synthetic intermediate and a source of polyphenolic scaffolds for related derivatives. In practice, it may be used as an intermediate in the synthesis of ellagitannin-derived compounds and functional polyphenols. It is frequently evaluated for antioxidant and free-radical scavenging properties and can be incorporated into cosmetic formulations and certain polymer systems. It can serve as a polyphenol-rich stabilizer or additive in coatings, inks, and adhesive formulations. It is also studied as a scaffold for the development of bioactive phytochemical derivatives and may be explored for leather-tanning applications as a natural tannin, depending on formulation and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.67
    methanol 13.56
    isopropanol 2.98
    water 0.84
    ethyl acetate 4.22
    n-propanol 3.68
    acetone 12.21
    n-butanol 1.76
    acetonitrile 4.42
    DMF 205.79
    toluene 0.91
    isobutanol 1.4
    1,4-dioxane 20.06
    methyl acetate 10.05
    THF 33.76
    2-butanone 7.22
    n-pentanol 1.15
    sec-butanol 1.97
    n-hexane 0.03
    ethylene glycol 24.32
    NMP 110.59
    cyclohexane 0.08
    DMSO 104.69
    n-butyl acetate 2.05
    n-octanol 1.87
    chloroform 2.42
    n-propyl acetate 2.74
    acetic acid 40.49
    dichloromethane 2.76
    cyclohexanone 6.38
    propylene glycol 19.0
    isopropyl acetate 2.54
    DMAc 118.77
    2-ethoxyethanol 25.35
    isopentanol 0.85
    n-heptane 0.09
    ethyl formate 6.11
    1,2-dichloroethane 1.82
    n-hexanol 0.83
    2-methoxyethanol 69.08
    isobutyl acetate 0.98
    tetrachloromethane 0.29
    n-pentyl acetate 3.24
    transcutol 29.17
    n-heptanol 1.65
    ethylbenzene 0.34
    MIBK 1.44
    2-propoxyethanol 18.32
    tert-butanol 2.13
    MTBE 1.28
    2-butoxyethanol 13.18
    propionic acid 11.62
    o-xylene 0.61
    formic acid 76.26
    diethyl ether 2.06
    m-xylene 0.53
    p-xylene 0.38
    chlorobenzene 0.52
    dimethyl carbonate 24.14
    n-octane 0.07
    formamide 85.28
    cyclopentanone 21.32
    2-pentanone 3.91
    anisole 2.33
    cyclopentyl methyl ether 5.22
    gamma-butyrolactone 42.02
    1-methoxy-2-propanol 40.37
    pyridine 11.36
    3-pentanone 3.51
    furfural 35.92
    n-dodecane 0.06
    diethylene glycol 32.66
    diisopropyl ether 0.35
    tert-amyl alcohol 1.59
    acetylacetone 13.09
    n-hexadecane 0.07
    acetophenone 3.66
    methyl propionate 10.31
    isopentyl acetate 1.22
    trichloroethylene 5.93
    n-nonanol 1.89
    cyclohexanol 1.51
    benzyl alcohol 3.37
    2-ethylhexanol 0.46
    isooctanol 0.96
    dipropyl ether 1.87
    1,2-dichlorobenzene 0.54
    ethyl lactate 6.95
    propylene carbonate 10.17
    n-methylformamide 62.45
    2-pentanol 0.98
    n-pentane 0.05
    1-propoxy-2-propanol 11.77
    1-methoxy-2-propyl acetate 8.74
    2-(2-methoxypropoxy) propanol 10.53
    mesitylene 0.26
    ε-caprolactone 8.68
    p-cymene 0.31
    epichlorohydrin 21.96
    1,1,1-trichloroethane 0.78
    2-aminoethanol 19.16
    morpholine-4-carbaldehyde 121.57
    sulfolane 71.1
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 5.74
    n-hexyl acetate 3.33
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 15.76
    sec-butyl acetate 1.23
    tert-butyl acetate 2.47
    decalin 0.03
    glycerin 65.36
    diglyme 32.41
    acrylic acid 24.91
    isopropyl myristate 1.12
    n-butyric acid 5.71
    acetyl acetate 4.42
    di(2-ethylhexyl) phthalate 1.68
    ethyl propionate 2.95
    nitromethane 95.41
    1,2-diethoxyethane 5.16
    benzonitrile 1.93
    trioctyl phosphate 1.44
    1-bromopropane 0.44
    gamma-valerolactone 72.84
    n-decanol 1.23
    triethyl phosphate 1.48
    4-methyl-2-pentanol 0.42
    propionitrile 2.71
    vinylene carbonate 13.35
    1,1,2-trichlorotrifluoroethane 45.9
    DMS 7.03
    cumene 0.18
    2-octanol 1.06
    2-hexanone 1.87
    octyl acetate 2.21
    limonene 0.38
    1,2-dimethoxyethane 26.32
    ethyl orthosilicate 1.23
    tributyl phosphate 1.25
    diacetone alcohol 8.41
    N,N-dimethylaniline 1.89
    acrylonitrile 7.95
    aniline 2.62
    1,3-propanediol 16.94
    bromobenzene 0.4
    dibromomethane 0.84
    1,1,2,2-tetrachloroethane 4.21
    2-methyl-cyclohexyl acetate 1.38
    tetrabutyl urea 3.46
    diisobutyl methanol 0.31
    2-phenylethanol 2.29
    styrene 0.43
    dioctyl adipate 2.53
    dimethyl sulfate 50.45
    ethyl butyrate 2.19
    methyl lactate 29.83
    butyl lactate 6.12
    diethyl carbonate 1.76
    propanediol butyl ether 16.99
    triethyl orthoformate 2.56
    p-tert-butyltoluene 0.32
    methyl 4-tert-butylbenzoate 5.85
    morpholine 27.31
    tert-butylamine 0.58
    n-dodecanol 0.81
    dimethoxymethane 59.46
    ethylene carbonate 7.86
    cyrene 18.08
    2-ethoxyethyl acetate 9.04
    2-ethylhexyl acetate 1.02
    1,2,4-trichlorobenzene 1.17
    4-methylpyridine 5.32
    dibutyl ether 1.25
    2,6-dimethyl-4-heptanol 0.31
    DEF 13.07
    dimethyl isosorbide 15.07
    tetrachloroethylene 2.78
    eugenol 6.81
    triacetin 8.84
    span 80 9.89
    1,4-butanediol 6.14
    1,1-dichloroethane 0.98
    2-methyl-1-pentanol 0.53
    methyl formate 50.92
    2-methyl-1-butanol 1.01
    n-decane 0.11
    butyronitrile 1.39
    3,7-dimethyl-1-octanol 0.74
    1-chlorooctane 0.4
    1-chlorotetradecane 0.16
    n-nonane 0.1
    undecane 0.08
    tert-butylcyclohexane 0.02
    cyclooctane 0.05
    cyclopentanol 3.54
    tetrahydropyran 4.48
    tert-amyl methyl ether 1.37
    2,5,8-trioxanonane 21.84
    1-hexene 0.13
    2-isopropoxyethanol 9.22
    2,2,2-trifluoroethanol 24.38
    methyl butyrate 3.57

    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