Divanillin

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  • Identifiers

    CAS number
    2092-49-1

    Molecular formula
    C16H14O6

    SMILES
    COC1=CC(=CC(=C1O)C2=C(C(=CC(=C2)C=O)OC)O)C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Vanilla 62.64%
    Fruity 51.54%
    Sweet 51.14%
    Floral 42.08%
    Creamy 40.36%
    Powdery 38.47%
    Spicy 36.29%
    Balsamic 35.57%
    Phenolic 35.02%
    Milky 33.43%

     

    Flavor
    Bitter 68.21%
    Sweet 40.73%
    Vanilla 38.75%
    Powdery 26.63%
    Woody 26.18%
    Creamy 25.35%
    Heliotropin 22.26%
    Ham 22.01%
    Curry 21.88%
    Mild 21.82%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.18 (weak base)

    Molecular weight
    302.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    739°C

    Melting point expt.

    • 315.00 °C. @ 760.00 mm Hg

    Flash point

    • 226.07 ˚C est.

    Solubility expt.

    • Practically insoluble to insoluble in water; soluble in benzyl alcohol
    • Soluble (in ethanol)

  • Synonyms

    • 2092-49-1
    • Divanillin
    • Dehydrodivanillin
    • 5,5'-Bivanillin
    • 6,6'-Dihydroxy-5,5'-dimethoxybiphenyl-3,3'-dicarbaldehyde
    • 3-(5-formyl-2-hydroxy-3-methoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde
    • [1,1'-Biphenyl]-3,3'-dicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy-
    • 29PYY1H4BT
    • DIVANILLIN [FHFI]
    • NSC-16723
    • FEMA NO. 4107
    • 3,3'-Biphenyldicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy-
    • DTXSID30862830
    • NSC 16723
    • (1,1'-Biphenyl)-3,3'-dicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy-
    • 2,2'-dihydroxy-3,3'-dimethoxy-5,5'-diformylbiphenyl
    • 6,6'-Dihydroxy-5,5'-dimethoxy-biphenyl-3,3'-dicarbaldehyde
    • 5,5'-DIFORMYL-3,3'-DIMETHOXY-1,1'-BIPHENYL-2,2'-DIOL
    • Dehydrodivanillin (~90%, contains up to 10% unknown inorganics)
    • 6,6'-DIHYDROXY-5,5'-DIMETHOXY-[1,1'-BIPHENYL]-3,3'-DICARBALDEHYDE
    • 6,6'-DIHYDROXY-5,5'-DIMETHOXY-(1,1'-BIPHENYL)-3,3'-DICARBALDEHYDE
    • 5,5-Bisvanillin
    • 5,5'-Bivanillin; 5,5'-Diformyl-3,3'-dimethoxy-1,1'-biphenyl-2,2'-diol; Divanillin; NSC 16723; 6,6'-Dihydroxy-5,5'-dimethoxy[1,1'-biphenyl]-3,3'-dicarboxaldehyde; 6,6'-Dihydroxy-5,5'-dimethoxy[1,1'-biphenyl]-3,3'-dicarboxaldehyde
    • 6,6'-Dihydroxy-5,5'-dimethoxy-[1,1'-biphenyl]-3,3'-dicarboxaldehyde
    • MFCD00156888
    • bmse010019
    • UNII-29PYY1H4BT
    • CHEMBL41304
    • SCHEMBL1487492
    • DTXCID50811547
    • ALBB-025820
    • EX-A4901
    • NSC16723
    • AKOS015889366
    • FD71561
    • 3, 6,6'-dihydroxy-5,5'-dimethoxy-
    • s11876
    • DS-10405
    • DS-013888
    • CS-0150461
    • NS00123868
    • Q27254436
    • [1,3'-dicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy-
    • 3,3-Biphenyldicarboxaldehyde, 6,6-dihydroxy-5,5-dimethoxy-(8ci)
    • 3,3'-Biphenyldicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy-(8CI)
    • 6,6'-Dihydroxy-5,5'-dimethoxy[1,1'-biphenyl]-3,3'-dicarbaldehyde #
    • (1,1'-Biphenyl)-3,3'-dicarboxaldehyde, 6,6'-dihydroxy-5,5'-dimethoxy-(9CI)
    • 4-hydroxy-3-(2-hydroxy-5-methanoyl-3-methoxy-phenyl)-5-methoxy-benzaldehyde

  • Applications

    Divanillin (CAS 2092-49-1) is primarily used as an intermediate in fragrance and flavor chemistry, typically as a precursor to vanillin-derived compounds and other aroma materials; it is also used in cosmetics and personal care as a fragrance ingredient; in the polymers/plastics, coatings, and inks sectors, it serves as a building block for synthesizing aromatic compounds used in resins and surface coatings; in general industrial manufacturing, it functions as a chemical building block for routes to aromatic compounds; depending on local regulations and formulation limits, it may be evaluated for surface-functionalization or material-performance applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.89
    methanol 0.97
    isopropanol 0.72
    water 0.02
    ethyl acetate 4.57
    n-propanol 0.95
    acetone 3.58
    n-butanol 0.66
    acetonitrile 2.74
    DMF 32.22
    toluene 0.51
    isobutanol 0.57
    1,4-dioxane 5.19
    methyl acetate 6.41
    THF 24.11
    2-butanone 5.15
    n-pentanol 0.75
    sec-butanol 1.02
    n-hexane 0.07
    ethylene glycol 1.6
    NMP 41.26
    cyclohexane 0.09
    DMSO 53.35
    n-butyl acetate 3.42
    n-octanol 1.16
    chloroform 3.54
    n-propyl acetate 3.49
    acetic acid 6.78
    dichloromethane 4.8
    cyclohexanone 7.67
    propylene glycol 1.02
    isopropyl acetate 3.36
    DMAc 56.55
    2-ethoxyethanol 7.57
    isopentanol 0.75
    n-heptane 0.16
    ethyl formate 2.64
    1,2-dichloroethane 4.15
    n-hexanol 1.1
    2-methoxyethanol 10.72
    isobutyl acetate 1.4
    tetrachloromethane 0.58
    n-pentyl acetate 3.01
    transcutol 15.91
    n-heptanol 1.48
    ethylbenzene 0.75
    MIBK 2.17
    2-propoxyethanol 9.77
    tert-butanol 1.67
    MTBE 1.84
    2-butoxyethanol 6.24
    propionic acid 4.19
    o-xylene 0.91
    formic acid 6.88
    diethyl ether 1.82
    m-xylene 0.49
    p-xylene 0.89
    chlorobenzene 0.87
    dimethyl carbonate 10.86
    n-octane 0.12
    formamide 20.14
    cyclopentanone 18.69
    2-pentanone 2.67
    anisole 3.2
    cyclopentyl methyl ether 5.0
    gamma-butyrolactone 30.12
    1-methoxy-2-propanol 7.27
    pyridine 6.28
    3-pentanone 3.87
    furfural 19.15
    n-dodecane 0.09
    diethylene glycol 11.0
    diisopropyl ether 0.66
    tert-amyl alcohol 2.12
    acetylacetone 7.55
    n-hexadecane 0.11
    acetophenone 5.73
    methyl propionate 7.74
    isopentyl acetate 3.46
    trichloroethylene 9.3
    n-nonanol 1.43
    cyclohexanol 1.35
    benzyl alcohol 2.66
    2-ethylhexanol 1.37
    isooctanol 1.34
    dipropyl ether 2.98
    1,2-dichlorobenzene 1.75
    ethyl lactate 4.86
    propylene carbonate 8.83
    n-methylformamide 10.51
    2-pentanol 0.68
    n-pentane 0.05
    1-propoxy-2-propanol 7.11
    1-methoxy-2-propyl acetate 9.68
    2-(2-methoxypropoxy) propanol 8.01
    mesitylene 0.44
    ε-caprolactone 8.98
    p-cymene 1.09
    epichlorohydrin 20.18
    1,1,1-trichloroethane 1.88
    2-aminoethanol 1.92
    morpholine-4-carbaldehyde 31.26
    sulfolane 51.79
    2,2,4-trimethylpentane 0.08
    2-methyltetrahydrofuran 6.74
    n-hexyl acetate 3.24
    isooctane 0.04
    2-(2-butoxyethoxy)ethanol 8.22
    sec-butyl acetate 2.32
    tert-butyl acetate 5.05
    decalin 0.14
    glycerin 5.06
    diglyme 20.16
    acrylic acid 6.04
    isopropyl myristate 1.76
    n-butyric acid 2.74
    acetyl acetate 4.19
    di(2-ethylhexyl) phthalate 2.31
    ethyl propionate 4.7
    nitromethane 26.01
    1,2-diethoxyethane 5.1
    benzonitrile 2.29
    trioctyl phosphate 1.79
    1-bromopropane 1.12
    gamma-valerolactone 22.4
    n-decanol 1.09
    triethyl phosphate 5.5
    4-methyl-2-pentanol 0.62
    propionitrile 2.43
    vinylene carbonate 7.97
    1,1,2-trichlorotrifluoroethane 22.98
    DMS 8.24
    cumene 0.64
    2-octanol 1.06
    2-hexanone 2.76
    octyl acetate 2.21
    limonene 1.44
    1,2-dimethoxyethane 15.55
    ethyl orthosilicate 4.63
    tributyl phosphate 2.26
    diacetone alcohol 8.3
    N,N-dimethylaniline 3.88
    acrylonitrile 5.01
    aniline 1.89
    1,3-propanediol 2.27
    bromobenzene 0.78
    dibromomethane 2.16
    1,1,2,2-tetrachloroethane 6.79
    2-methyl-cyclohexyl acetate 4.32
    tetrabutyl urea 3.96
    diisobutyl methanol 1.21
    2-phenylethanol 3.22
    styrene 0.82
    dioctyl adipate 3.67
    dimethyl sulfate 30.86
    ethyl butyrate 4.38
    methyl lactate 8.44
    butyl lactate 3.81
    diethyl carbonate 4.52
    propanediol butyl ether 4.07
    triethyl orthoformate 4.98
    p-tert-butyltoluene 1.09
    methyl 4-tert-butylbenzoate 7.59
    morpholine 8.89
    tert-butylamine 0.74
    n-dodecanol 0.82
    dimethoxymethane 16.63
    ethylene carbonate 5.65
    cyrene 12.26
    2-ethoxyethyl acetate 6.67
    2-ethylhexyl acetate 2.74
    1,2,4-trichlorobenzene 2.96
    4-methylpyridine 3.82
    dibutyl ether 1.85
    2,6-dimethyl-4-heptanol 1.21
    DEF 11.17
    dimethyl isosorbide 18.05
    tetrachloroethylene 5.34
    eugenol 7.28
    triacetin 8.14
    span 80 4.74
    1,4-butanediol 1.09
    1,1-dichloroethane 1.4
    2-methyl-1-pentanol 0.98
    methyl formate 8.83
    2-methyl-1-butanol 0.8
    n-decane 0.17
    butyronitrile 1.29
    3,7-dimethyl-1-octanol 1.22
    1-chlorooctane 0.75
    1-chlorotetradecane 0.34
    n-nonane 0.14
    undecane 0.12
    tert-butylcyclohexane 0.12
    cyclooctane 0.06
    cyclopentanol 2.01
    tetrahydropyran 2.83
    tert-amyl methyl ether 2.5
    2,5,8-trioxanonane 14.13
    1-hexene 0.32
    2-isopropoxyethanol 5.03
    2,2,2-trifluoroethanol 6.97
    methyl butyrate 5.15

    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