Isoconiferin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    65995-51-9

    Molecular formula
    C16H22O7

    SMILES
    C/C=C/C1=CC(=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 53.97%
    Vanilla 50.0%
    Spicy 42.55%
    Odorless 35.29%
    Balsamic 26.84%
    Creamy 25.33%
    Phenolic 25.07%
    Powdery 23.99%
    Warm 23.8%
    Smoky 22.77%

     

    Flavor
    Bitter 63.84%
    Sweet 30.83%
    Odorless 24.42%
    Sweet-like 23.24%
    Bland 21.62%
    Spicy 21.61%
    Spice 21.12%
    Parsley 20.33%
    Eugenol 20.27%
    Vanilla 20.18%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.69 (neutral)

    Molecular weight
    326.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1121°C

    Flash point

    • 216.06 ˚C est.

  • Synonyms

    • Isoconiferin
    • 65995-51-9
    • SCHEMBL17615400
    • 2-(hydroxymethyl)-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]tetrahydropyran-3,4,5-triol
    • 65995-51-9

  • Applications

    Isoconiferin (CAS 65995-51-9) is a phenylpropanoid glycoside commonly discussed as an intermediate and analytical reference in lignin-related chemistry and plant biochemistry; in industrial contexts it may serve as a precursor for the production of polyphenolic materials derived from lignin and for biorefinery concepts. It may also be evaluated for cosmetics/personal care applications as a natural antioxidant/stabilizer and could be used as an additive in coatings or adhesives based on polyphenols; simultaneously, in research settings it is often employed as a model compound for lignin biosynthesis and for analytical method development (HPLC/LC-MS).

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 38.04
    methanol 89.57
    isopropanol 16.58
    water 11.9
    ethyl acetate 17.7
    n-propanol 21.26
    acetone 39.55
    n-butanol 21.03
    acetonitrile 15.48
    DMF 133.61
    toluene 3.57
    isobutanol 9.6
    1,4-dioxane 32.15
    methyl acetate 15.33
    THF 58.1
    2-butanone 14.54
    n-pentanol 7.86
    sec-butanol 11.98
    n-hexane 0.32
    ethylene glycol 114.16
    NMP 93.32
    cyclohexane 2.32
    DMSO 713.57
    n-butyl acetate 4.06
    n-octanol 7.14
    chloroform 6.84
    n-propyl acetate 5.18
    acetic acid 243.94
    dichloromethane 8.97
    cyclohexanone 28.11
    propylene glycol 73.0
    isopropyl acetate 8.95
    DMAc 172.39
    2-ethoxyethanol 70.36
    isopentanol 13.3
    n-heptane 0.95
    ethyl formate 14.57
    1,2-dichloroethane 11.14
    n-hexanol 7.92
    2-methoxyethanol 185.83
    isobutyl acetate 2.96
    tetrachloromethane 1.6
    n-pentyl acetate 5.79
    transcutol 140.27
    n-heptanol 8.59
    ethylbenzene 1.91
    MIBK 9.62
    2-propoxyethanol 40.74
    tert-butanol 24.92
    MTBE 7.01
    2-butoxyethanol 27.27
    propionic acid 39.82
    o-xylene 4.1
    formic acid 354.79
    diethyl ether 8.36
    m-xylene 3.49
    p-xylene 2.04
    chlorobenzene 2.87
    dimethyl carbonate 30.45
    n-octane 0.68
    formamide 381.69
    cyclopentanone 38.98
    2-pentanone 13.84
    anisole 6.58
    cyclopentyl methyl ether 18.62
    gamma-butyrolactone 58.49
    1-methoxy-2-propanol 90.71
    pyridine 17.1
    3-pentanone 11.87
    furfural 50.54
    n-dodecane 0.54
    diethylene glycol 94.77
    diisopropyl ether 2.78
    tert-amyl alcohol 16.45
    acetylacetone 40.11
    n-hexadecane 0.58
    acetophenone 11.25
    methyl propionate 22.79
    isopentyl acetate 4.86
    trichloroethylene 17.73
    n-nonanol 7.31
    cyclohexanol 21.84
    benzyl alcohol 14.45
    2-ethylhexanol 4.59
    isooctanol 7.08
    dipropyl ether 5.33
    1,2-dichlorobenzene 3.47
    ethyl lactate 17.12
    propylene carbonate 22.97
    n-methylformamide 77.81
    2-pentanol 10.96
    n-pentane 0.7
    1-propoxy-2-propanol 22.97
    1-methoxy-2-propyl acetate 16.89
    2-(2-methoxypropoxy) propanol 32.37
    mesitylene 2.5
    ε-caprolactone 26.47
    p-cymene 2.34
    epichlorohydrin 40.31
    1,1,1-trichloroethane 4.34
    2-aminoethanol 91.64
    morpholine-4-carbaldehyde 97.23
    sulfolane 158.08
    2,2,4-trimethylpentane 0.54
    2-methyltetrahydrofuran 18.78
    n-hexyl acetate 8.33
    isooctane 0.34
    2-(2-butoxyethoxy)ethanol 45.36
    sec-butyl acetate 3.62
    tert-butyl acetate 12.52
    decalin 0.64
    glycerin 188.07
    diglyme 78.08
    acrylic acid 67.25
    isopropyl myristate 4.41
    n-butyric acid 36.74
    acetyl acetate 19.84
    di(2-ethylhexyl) phthalate 7.74
    ethyl propionate 6.43
    nitromethane 213.21
    1,2-diethoxyethane 14.6
    benzonitrile 6.51
    trioctyl phosphate 6.46
    1-bromopropane 3.08
    gamma-valerolactone 67.43
    n-decanol 5.77
    triethyl phosphate 7.01
    4-methyl-2-pentanol 6.66
    propionitrile 7.45
    vinylene carbonate 22.02
    1,1,2-trichlorotrifluoroethane 101.19
    DMS 15.03
    cumene 1.62
    2-octanol 4.81
    2-hexanone 5.11
    octyl acetate 6.22
    limonene 3.81
    1,2-dimethoxyethane 47.64
    ethyl orthosilicate 6.55
    tributyl phosphate 6.23
    diacetone alcohol 38.42
    N,N-dimethylaniline 7.55
    acrylonitrile 15.42
    aniline 11.8
    1,3-propanediol 102.52
    bromobenzene 2.2
    dibromomethane 4.72
    1,1,2,2-tetrachloroethane 16.13
    2-methyl-cyclohexyl acetate 7.26
    tetrabutyl urea 10.01
    diisobutyl methanol 4.17
    2-phenylethanol 11.43
    styrene 2.05
    dioctyl adipate 9.8
    dimethyl sulfate 70.29
    ethyl butyrate 5.29
    methyl lactate 55.57
    butyl lactate 11.99
    diethyl carbonate 5.45
    propanediol butyl ether 32.78
    triethyl orthoformate 6.94
    p-tert-butyltoluene 2.53
    methyl 4-tert-butylbenzoate 20.36
    morpholine 44.99
    tert-butylamine 7.93
    n-dodecanol 4.56
    dimethoxymethane 75.17
    ethylene carbonate 18.13
    cyrene 45.84
    2-ethoxyethyl acetate 14.04
    2-ethylhexyl acetate 3.31
    1,2,4-trichlorobenzene 5.94
    4-methylpyridine 9.57
    dibutyl ether 4.07
    2,6-dimethyl-4-heptanol 4.17
    DEF 32.8
    dimethyl isosorbide 44.99
    tetrachloroethylene 12.92
    eugenol 21.18
    triacetin 20.47
    span 80 25.92
    1,4-butanediol 32.46
    1,1-dichloroethane 3.85
    2-methyl-1-pentanol 7.36
    methyl formate 60.77
    2-methyl-1-butanol 11.62
    n-decane 0.86
    butyronitrile 6.57
    3,7-dimethyl-1-octanol 6.2
    1-chlorooctane 2.4
    1-chlorotetradecane 1.24
    n-nonane 0.76
    undecane 0.66
    tert-butylcyclohexane 0.4
    cyclooctane 1.09
    cyclopentanol 22.32
    tetrahydropyran 16.14
    tert-amyl methyl ether 8.01
    2,5,8-trioxanonane 66.57
    1-hexene 0.86
    2-isopropoxyethanol 31.06
    2,2,2-trifluoroethanol 94.96
    methyl butyrate 7.97

    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