Coniferin

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  • Identifiers

    CAS number
    531-29-3

    Molecular formula
    C16H22O8

    SMILES
    COC1=C(C=CC(=C1)/C=C/CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 53.05%
    Vanilla 49.23%
    Sweet 44.27%
    Milky 26.28%
    Creamy 25.92%
    Spicy 24.24%
    Balsamic 22.31%
    Caramellic 20.39%
    Savory 19.5%
    Warm 19.45%

     

    Flavor
    Bitter 69.48%
    Sweet 35.95%
    Odorless 32.71%
    Sweet-like 26.77%
    Bland 24.28%
    Vanilla 22.86%
    Mild 20.78%
    Very slight 20.46%
    Naphthalic 20.29%
    Eugenol 20.21%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -1.3

    pKa est.
    7.2 (neutral)

    Molecular weight
    342.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1923°C

    Melting point expt.

    • 186 °C

    Flash point

    • 245.27 ˚C est.

  • Synonyms

    • Coniferin
    • 531-29-3
    • Coniferyl alcohol beta-D-glucoside
    • M6616XLU2J
    • CHEBI:16220
    • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]oxane-3,4,5-triol
    • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy}oxane-3,4,5-triol
    • (2R,3S,4S,5R,6S)-2-(HYDROXYMETHYL)-6-(4-((E)-3-HYDROXYPROP-1-ENYL)-2-METHOXYPHENOXY)OXANE-3,4,5-TRIOL
    • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-((1E)-3-hydroxyprop-1-en-1-yl)-2-methoxyphenoxy)oxane-3,4,5-triol
    • RefChem:127740
    • (E)-coniferin
    • Abietin
    • 124151-33-3
    • Laricin
    • Coniferoside
    • C16H22O8
    • (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(4-((E)-3-hydroxyprop-1-en-1-yl)-2-methoxyphenoxy)tetrahydro-2H-pyran-3,4,5-triol
    • 4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenyl beta-D-glucopyranoside
    • CHEMBL459056
    • coniferyl alcohol-4-O-beta-D-glucopyranoside
    • E-Coniferin
    • beta-D-Glucopyranoside, 4-(3-hydroxy-1-propenyl)-2-methoxyphenyl (VAN)
    • UNII-M6616XLU2J
    • Abi etin
    • CONIFERIN [MI]
    • 4-hydroxy-3-methoxy-1-(gamma-hydroxypropenyl)benzene-4-D-glucoside
    • bmse000608
    • MLS000563468
    • SCHEMBL321115
    • MEGxp0_000873
    • orb1297658
    • orb3027345
    • SCHEMBL30029862
    • ACon1_002032
    • DTXSID501355792
    • HMS2267N17
    • 3-(4-beta-D-Glucopyranosyloxy-3-methoxyphenyl)-2-propen-1-ol
    • HY-N3617
    • BDBM50269612
    • MFCD00875440
    • Coniferyl alcohol beta-delta-glucoside
    • AKOS032948392
    • EBC-616490
    • MC16663
    • 4-O-(beta-D-glucosyl)-trans-coniferol
    • NCGC00179896-01
    • NCGC00179896-02
    • DA-48744
    • DA-50091
    • MS-25232
    • SMR000470885
    • CONIFERYL ALCOHOL .BETA.-D-GLUCOSIDE
    • CS-0023945
    • NS00097552
    • C00761
    • E80725
    • Q358968
    • BRD-K70130576-001-01-7
    • 4-(3-Hydroxy-1-propen-1-yl)-2-methoxyphenyl b-glucopyranoside
    • |_-D-Glucopyranoside, 4-[(1E)-3-hydroxy-1-propen-1-yl]-2-methoxyphenyl
    • 4-(3-Hydroxyprop-1-en-1-yl)-2-methoxyphenyl beta-delta-glucopyranoside
    • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxy-phenoxy]tetrahydropyran-3,4,5-triol
    • 531-29-3

  • Applications

    Coniferin, the glucoside of coniferyl alcohol (CAS 531-29-3), is primarily used in plant biochemistry and enzymology as a substrate for beta-glucosidases and as a precursor in lignin biosynthesis studies; it also serves as an analytical reference compound for profiling monolignol glycosides in plant extracts, supporting LC-MS and LC-UV analyses of phenylpropanoid metabolites. In plant science, coniferin is considered a natural product marker for chemotaxonomy and can act as a reservoir of lignin precursors that, upon deglycosylation, yield coniferyl alcohol for lignin polymer research. Applications are typically research-focused and analytical, with practical use subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 28.4
    methanol 74.83
    isopropanol 12.63
    water 38.9
    ethyl acetate 6.96
    n-propanol 15.42
    acetone 23.01
    n-butanol 18.16
    acetonitrile 8.84
    DMF 148.63
    toluene 2.3
    isobutanol 5.55
    1,4-dioxane 21.51
    methyl acetate 6.32
    THF 41.04
    2-butanone 7.88
    n-pentanol 4.39
    sec-butanol 8.56
    n-hexane 0.24
    ethylene glycol 160.31
    NMP 89.33
    cyclohexane 2.19
    DMSO 845.64
    n-butyl acetate 1.31
    n-octanol 4.34
    chloroform 2.05
    n-propyl acetate 1.84
    acetic acid 171.81
    dichloromethane 2.56
    cyclohexanone 15.73
    propylene glycol 82.09
    isopropyl acetate 3.49
    DMAc 152.38
    2-ethoxyethanol 55.67
    isopentanol 7.95
    n-heptane 0.87
    ethyl formate 8.52
    1,2-dichloroethane 4.13
    n-hexanol 4.14
    2-methoxyethanol 177.31
    isobutyl acetate 0.91
    tetrachloromethane 0.79
    n-pentyl acetate 2.41
    transcutol 76.24
    n-heptanol 5.14
    ethylbenzene 0.95
    MIBK 4.14
    2-propoxyethanol 25.81
    tert-butanol 13.7
    MTBE 2.93
    2-butoxyethanol 17.28
    propionic acid 24.91
    o-xylene 2.43
    formic acid 425.18
    diethyl ether 4.79
    m-xylene 1.84
    p-xylene 0.91
    chlorobenzene 1.01
    dimethyl carbonate 18.69
    n-octane 0.61
    formamide 397.18
    cyclopentanone 25.61
    2-pentanone 7.82
    anisole 3.03
    cyclopentyl methyl ether 11.49
    gamma-butyrolactone 33.82
    1-methoxy-2-propanol 80.46
    pyridine 10.1
    3-pentanone 6.39
    furfural 31.13
    n-dodecane 0.42
    diethylene glycol 77.79
    diisopropyl ether 1.4
    tert-amyl alcohol 9.0
    acetylacetone 20.71
    n-hexadecane 0.45
    acetophenone 5.09
    methyl propionate 11.29
    isopentyl acetate 1.47
    trichloroethylene 5.82
    n-nonanol 4.43
    cyclohexanol 15.97
    benzyl alcohol 8.24
    2-ethylhexanol 2.22
    isooctanol 3.86
    dipropyl ether 3.39
    1,2-dichlorobenzene 1.14
    ethyl lactate 10.13
    propylene carbonate 11.14
    n-methylformamide 75.16
    2-pentanol 7.6
    n-pentane 0.62
    1-propoxy-2-propanol 14.38
    1-methoxy-2-propyl acetate 7.49
    2-(2-methoxypropoxy) propanol 20.11
    mesitylene 1.3
    ε-caprolactone 13.73
    p-cymene 1.13
    epichlorohydrin 19.66
    1,1,1-trichloroethane 1.37
    2-aminoethanol 103.96
    morpholine-4-carbaldehyde 83.91
    sulfolane 116.13
    2,2,4-trimethylpentane 0.31
    2-methyltetrahydrofuran 10.67
    n-hexyl acetate 3.61
    isooctane 0.18
    2-(2-butoxyethoxy)ethanol 28.26
    sec-butyl acetate 1.18
    tert-butyl acetate 4.39
    decalin 0.4
    glycerin 220.89
    diglyme 46.9
    acrylic acid 45.7
    isopropyl myristate 2.07
    n-butyric acid 22.87
    acetyl acetate 7.48
    di(2-ethylhexyl) phthalate 3.96
    ethyl propionate 2.59
    nitromethane 139.29
    1,2-diethoxyethane 7.0
    benzonitrile 2.92
    trioctyl phosphate 3.39
    1-bromopropane 1.57
    gamma-valerolactone 48.01
    n-decanol 3.62
    triethyl phosphate 3.17
    4-methyl-2-pentanol 3.35
    propionitrile 4.34
    vinylene carbonate 10.94
    1,1,2-trichlorotrifluoroethane 67.97
    DMS 6.22
    cumene 0.72
    2-octanol 2.84
    2-hexanone 2.24
    octyl acetate 3.19
    limonene 1.98
    1,2-dimethoxyethane 32.14
    ethyl orthosilicate 3.0
    tributyl phosphate 3.0
    diacetone alcohol 20.67
    N,N-dimethylaniline 3.76
    acrylonitrile 8.92
    aniline 7.1
    1,3-propanediol 104.67
    bromobenzene 0.73
    dibromomethane 1.55
    1,1,2,2-tetrachloroethane 6.42
    2-methyl-cyclohexyl acetate 2.86
    tetrabutyl urea 5.71
    diisobutyl methanol 2.14
    2-phenylethanol 5.48
    styrene 0.95
    dioctyl adipate 4.82
    dimethyl sulfate 47.93
    ethyl butyrate 2.12
    methyl lactate 43.53
    butyl lactate 6.44
    diethyl carbonate 2.24
    propanediol butyl ether 23.01
    triethyl orthoformate 3.26
    p-tert-butyltoluene 1.21
    methyl 4-tert-butylbenzoate 10.99
    morpholine 34.41
    tert-butylamine 4.21
    n-dodecanol 2.92
    dimethoxymethane 57.82
    ethylene carbonate 8.86
    cyrene 30.77
    2-ethoxyethyl acetate 6.01
    2-ethylhexyl acetate 1.06
    1,2,4-trichlorobenzene 2.05
    4-methylpyridine 5.2
    dibutyl ether 2.33
    2,6-dimethyl-4-heptanol 2.14
    DEF 22.29
    dimethyl isosorbide 26.24
    tetrachloroethylene 5.58
    eugenol 12.49
    triacetin 9.72
    span 80 16.57
    1,4-butanediol 30.89
    1,1-dichloroethane 1.41
    2-methyl-1-pentanol 3.44
    methyl formate 50.49
    2-methyl-1-butanol 6.82
    n-decane 0.7
    butyronitrile 3.89
    3,7-dimethyl-1-octanol 3.03
    1-chlorooctane 1.37
    1-chlorotetradecane 0.75
    n-nonane 0.65
    undecane 0.53
    tert-butylcyclohexane 0.21
    cyclooctane 1.04
    cyclopentanol 16.81
    tetrahydropyran 10.34
    tert-amyl methyl ether 3.82
    2,5,8-trioxanonane 42.03
    1-hexene 0.54
    2-isopropoxyethanol 19.37
    2,2,2-trifluoroethanol 77.91
    methyl butyrate 3.3

    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