Dehydrodiconiferyl alcohol

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  • Identifiers

    CAS number
    4263-87-0

    Molecular formula
    C20H22O6

    SMILES
    COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)/C=C/CO

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 69.74%
    Sweet 59.63%
    Spicy 44.97%
    Balsamic 43.67%
    Floral 37.74%
    Creamy 37.58%
    Powdery 36.61%
    Odorless 31.62%
    Phenolic 27.92%
    Milky 27.5%

     

    Flavor
    Bitter 76.67%
    Bland 24.69%
    Odorless 23.9%
    Sweet-like 21.63%
    Parsley 20.84%
    Vanilla 20.06%
    Ethyl benzoate 20.04%
    Eugenol 19.72%
    Ham 19.45%
    Lovage 19.32%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.74 (neutral)

    Molecular weight
    358.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1003°C

    Flash point

    • 225.02 ˚C est.

  • Synonyms

    • Dehydrodiconiferyl alcohol
    • 4263-87-0
    • 4-[3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
    • CHEBI:91184
    • 3-Benzofuranmethanol, 2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxy-1-propenyl)-7-methoxy-
    • DTXSID301311390
    • 4-(3-(hydroxymethyl)-5-((E)-3-hydroxyprop-1-enyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl)-2-methoxyphenol
    • RefChem:131493
    • GlyTouCan:G55730TI
    • DTXCID801741225
    • G55730TI
    • 528814-97-3
    • (E)-Dehydrodiconiferyl alcohol
    • CHEMBL4163889
    • (E)-4-(3-(Hydroxymethyl)-5-(3-hydroxyprop-1-en-1-yl)-7-methoxy-2,3-dihydrobenzofuran-2-yl)-2-methoxyphenol
    • 4-(3-(Hydroxymethyl)-5-(3-hydroxyprop-1-en-1-yl)-7-methoxy-2,3-dihydrobenzofuran-2-yl)-2-methoxyphenol
    • dehydrodiconiferol
    • MFCD31544311
    • Dehydrodiconiferylalkohol
    • lignin cw compound-2004
    • Coniferyl alcohol, dehydrodi-
    • Diconiferyl alcohol, dehydro-
    • MEGxp0_000971
    • orb1682808
    • orb1690480
    • SCHEMBL12963315
    • HY-N2682B
    • KUSXBOZNRPQEON-ONEGZZNKSA-N
    • 3-Benzofuranmethanol,2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-5-[(1E)-3-hydroxy-1-propenyl]-7-methoxy-, (2S,3R)-
    • BDBM50340634
    • AKOS040758179
    • AKOS040761592
    • G(8-5)G
    • 3-Benzofuranmethanol, 2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropenyl)-7-methoxy-
    • AS-79327
    • DA-48745
    • DA-62745
    • CS-0202728
    • E88878
    • Q27105134
    • 4-(3-(Hydroxymethyl)-5-[(1E)-3-hydroxy-1-propenyl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl)-2-methoxyphenol #
    • 4-[3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydrobenzofuran-2-yl]-2-methoxy-phenol
    • 4-{3-(hydroxymethyl)-5-[(1E)-3-hydroxyprop-1-en-1-yl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl}-2-methoxyphenol
    • 4263-87-0

  • Applications

    Dehydrodiconiferyl alcohol (CAS 4263-87-0) is a neolignan used primarily as a chemical building block in polymer and fine-chemical syntheses. It is commonly evaluated as a bio-based phenolic building block for polymer resins and crosslinking systems, and as a potential antioxidant or stabilizer in coatings, inks, and adhesives. It can serve as a precursor to aroma compounds for perfumery and as a starting material for lignan-derived materials in cosmetics and personal care. It is also studied as a platform for further transformations in pharmaceutical and agrochemical research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.1
    methanol 23.41
    isopropanol 11.57
    water 0.8
    ethyl acetate 12.28
    n-propanol 12.43
    acetone 37.27
    n-butanol 10.54
    acetonitrile 17.12
    DMF 64.81
    toluene 2.12
    isobutanol 7.37
    1,4-dioxane 27.14
    methyl acetate 13.53
    THF 71.07
    2-butanone 16.81
    n-pentanol 9.07
    sec-butanol 8.36
    n-hexane 0.22
    ethylene glycol 30.09
    NMP 34.2
    cyclohexane 0.7
    DMSO 208.4
    n-butyl acetate 5.92
    n-octanol 9.26
    chloroform 20.24
    n-propyl acetate 8.11
    acetic acid 78.16
    dichloromethane 18.64
    cyclohexanone 25.61
    propylene glycol 21.14
    isopropyl acetate 9.48
    DMAc 83.17
    2-ethoxyethanol 46.94
    isopentanol 10.29
    n-heptane 0.63
    ethyl formate 11.75
    1,2-dichloroethane 14.26
    n-hexanol 8.14
    2-methoxyethanol 70.31
    isobutyl acetate 6.5
    tetrachloromethane 2.92
    n-pentyl acetate 10.53
    transcutol 84.7
    n-heptanol 10.57
    ethylbenzene 1.91
    MIBK 11.06
    2-propoxyethanol 36.95
    tert-butanol 15.94
    MTBE 5.69
    2-butoxyethanol 30.33
    propionic acid 19.55
    o-xylene 2.23
    formic acid 62.45
    diethyl ether 7.15
    m-xylene 2.1
    p-xylene 2.52
    chlorobenzene 3.9
    dimethyl carbonate 22.12
    n-octane 0.65
    formamide 79.18
    cyclopentanone 39.62
    2-pentanone 13.03
    anisole 7.02
    cyclopentyl methyl ether 11.42
    gamma-butyrolactone 41.82
    1-methoxy-2-propanol 48.66
    pyridine 15.8
    3-pentanone 9.91
    furfural 32.87
    n-dodecane 0.74
    diethylene glycol 59.37
    diisopropyl ether 2.43
    tert-amyl alcohol 10.24
    acetylacetone 28.56
    n-hexadecane 0.82
    acetophenone 11.13
    methyl propionate 14.53
    isopentyl acetate 7.35
    trichloroethylene 27.9
    n-nonanol 10.08
    cyclohexanol 10.36
    benzyl alcohol 12.37
    2-ethylhexanol 5.41
    isooctanol 9.28
    dipropyl ether 6.25
    1,2-dichlorobenzene 5.7
    ethyl lactate 15.24
    propylene carbonate 17.56
    n-methylformamide 32.72
    2-pentanol 6.65
    n-pentane 0.27
    1-propoxy-2-propanol 21.99
    1-methoxy-2-propyl acetate 16.8
    2-(2-methoxypropoxy) propanol 31.72
    mesitylene 1.63
    ε-caprolactone 20.06
    p-cymene 2.57
    epichlorohydrin 41.99
    1,1,1-trichloroethane 8.06
    2-aminoethanol 25.72
    morpholine-4-carbaldehyde 50.5
    sulfolane 67.45
    2,2,4-trimethylpentane 0.31
    2-methyltetrahydrofuran 14.19
    n-hexyl acetate 12.6
    isooctane 0.24
    2-(2-butoxyethoxy)ethanol 41.33
    sec-butyl acetate 5.35
    tert-butyl acetate 12.03
    decalin 0.47
    glycerin 65.46
    diglyme 66.67
    acrylic acid 30.29
    isopropyl myristate 7.09
    n-butyric acid 19.53
    acetyl acetate 15.83
    di(2-ethylhexyl) phthalate 10.06
    ethyl propionate 7.66
    nitromethane 109.43
    1,2-diethoxyethane 16.9
    benzonitrile 9.79
    trioctyl phosphate 8.49
    1-bromopropane 4.25
    gamma-valerolactone 51.34
    n-decanol 7.5
    triethyl phosphate 7.78
    4-methyl-2-pentanol 6.08
    propionitrile 11.97
    vinylene carbonate 18.32
    1,1,2-trichlorotrifluoroethane 67.46
    DMS 14.96
    cumene 1.8
    2-octanol 6.88
    2-hexanone 9.93
    octyl acetate 9.17
    limonene 3.36
    1,2-dimethoxyethane 45.25
    ethyl orthosilicate 7.41
    tributyl phosphate 8.3
    diacetone alcohol 27.36
    N,N-dimethylaniline 6.79
    acrylonitrile 19.66
    aniline 7.0
    1,3-propanediol 35.28
    bromobenzene 3.19
    dibromomethane 9.8
    1,1,2,2-tetrachloroethane 23.78
    2-methyl-cyclohexyl acetate 9.27
    tetrabutyl urea 13.0
    diisobutyl methanol 4.62
    2-phenylethanol 12.15
    styrene 2.06
    dioctyl adipate 12.04
    dimethyl sulfate 40.74
    ethyl butyrate 6.56
    methyl lactate 28.13
    butyl lactate 15.09
    diethyl carbonate 6.86
    propanediol butyl ether 27.73
    triethyl orthoformate 8.02
    p-tert-butyltoluene 2.37
    methyl 4-tert-butylbenzoate 19.93
    morpholine 31.39
    tert-butylamine 5.34
    n-dodecanol 5.83
    dimethoxymethane 54.64
    ethylene carbonate 16.0
    cyrene 35.48
    2-ethoxyethyl acetate 19.77
    2-ethylhexyl acetate 5.21
    1,2,4-trichlorobenzene 7.77
    4-methylpyridine 9.23
    dibutyl ether 7.06
    2,6-dimethyl-4-heptanol 4.62
    DEF 18.43
    dimethyl isosorbide 40.5
    tetrachloroethylene 16.88
    eugenol 23.61
    triacetin 23.08
    span 80 22.69
    1,4-butanediol 17.68
    1,1-dichloroethane 8.02
    2-methyl-1-pentanol 8.45
    methyl formate 31.05
    2-methyl-1-butanol 8.18
    n-decane 1.17
    butyronitrile 9.01
    3,7-dimethyl-1-octanol 7.65
    1-chlorooctane 4.09
    1-chlorotetradecane 2.06
    n-nonane 0.96
    undecane 0.9
    tert-butylcyclohexane 0.36
    cyclooctane 0.34
    cyclopentanol 12.94
    tetrahydropyran 14.46
    tert-amyl methyl ether 5.2
    2,5,8-trioxanonane 56.09
    1-hexene 1.07
    2-isopropoxyethanol 28.66
    2,2,2-trifluoroethanol 38.65
    methyl butyrate 9.39

    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