Carbonic acid, ethyl 4-formyl-3-methoxyphenyl ester

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  • Identifiers

    CAS number
    68922-01-0

    Molecular formula
    C11H12O5

    SMILES
    CCOC(=O)OC1=CC(=C(C=C1)C=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Floral 53.23%
    Odorless 38.51%
    Sweet 34.61%
    Green 33.93%
    Fruity 33.73%
    Herbal 33.65%
    Spicy 30.93%
    Phenolic 30.7%
    Balsamic 29.35%
    Aromatic 28.94%

     

    Flavor
    Fruity 46.98%
    Floral 35.9%
    Bitter 34.36%
    Sweet 33.28%
    Balsam 30.45%
    Wintergreen 27.04%
    Grape 25.84%
    Powdery 24.42%
    Mild 23.72%
    Strawberry 22.69%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.12 (neutral)

    Molecular weight
    224.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    369°C

    Flash point

    • 135.59 ˚C est.

  • Synonyms

    • Ethyl vanillylformate
    • Carbonic acid, ethyl 4-formyl-3-methoxyphenyl ester
    • 68922-01-0
    • DTXSID4071845
    • RefChem:574473
    • DTXCID7046332
    • ETHYL 4-FORMYL-3-METHOXYPHENYL CARBONATE
    • SCPKWCCIBUSJSP-UHFFFAOYSA-N
    • 68922-01-0

  • Applications

    Carbonic acid, ethyl 4-formyl-3-methoxyphenyl ester (CAS 68922-01-0) is primarily used as an organic synthesis intermediate and as a reactive aryl carbonate monomer for polymer chemistry, enabling routes to polycarbonates and polyurethane precursors; it can act as a crosslinker or reactive diluent in UV-curable coatings and inks, supporting cure efficiency and network formation; the aryl aldehyde moiety makes it a potential fragrance/odorant intermediate in perfumery, and it is evaluated as a synthesis intermediate in pharmaceutical and agrochemical development under appropriate regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.63
    methanol 34.44
    isopropanol 15.6
    water 0.07
    ethyl acetate 75.65
    n-propanol 15.38
    acetone 204.96
    n-butanol 16.13
    acetonitrile 88.96
    DMF 394.29
    toluene 20.06
    isobutanol 11.59
    1,4-dioxane 95.74
    methyl acetate 89.11
    THF 232.25
    2-butanone 96.36
    n-pentanol 16.31
    sec-butanol 14.83
    n-hexane 0.97
    ethylene glycol 12.09
    NMP 396.33
    cyclohexane 1.02
    DMSO 687.79
    n-butyl acetate 56.43
    n-octanol 7.44
    chloroform 143.92
    n-propyl acetate 55.26
    acetic acid 121.51
    dichloromethane 230.05
    cyclohexanone 130.9
    propylene glycol 11.95
    isopropyl acetate 44.13
    DMAc 367.55
    2-ethoxyethanol 70.82
    isopentanol 18.41
    n-heptane 0.67
    ethyl formate 54.57
    1,2-dichloroethane 172.19
    n-hexanol 13.78
    2-methoxyethanol 122.85
    isobutyl acetate 29.88
    tetrachloromethane 7.96
    n-pentyl acetate 23.43
    transcutol 188.39
    n-heptanol 7.62
    ethylbenzene 15.77
    MIBK 44.65
    2-propoxyethanol 67.3
    tert-butanol 37.58
    MTBE 29.91
    2-butoxyethanol 32.1
    propionic acid 47.03
    o-xylene 18.61
    formic acid 56.85
    diethyl ether 28.77
    m-xylene 17.37
    p-xylene 22.0
    chlorobenzene 60.5
    dimethyl carbonate 78.18
    n-octane 0.36
    formamide 137.55
    cyclopentanone 243.7
    2-pentanone 75.03
    anisole 69.74
    cyclopentyl methyl ether 59.75
    gamma-butyrolactone 313.72
    1-methoxy-2-propanol 78.77
    pyridine 109.87
    3-pentanone 57.54
    furfural 268.08
    n-dodecane 0.57
    diethylene glycol 72.24
    diisopropyl ether 8.17
    tert-amyl alcohol 30.58
    acetylacetone 152.17
    n-hexadecane 0.7
    acetophenone 83.93
    methyl propionate 84.04
    isopentyl acetate 48.24
    trichloroethylene 353.75
    n-nonanol 7.84
    cyclohexanol 20.99
    benzyl alcohol 51.38
    2-ethylhexanol 12.71
    isooctanol 7.68
    dipropyl ether 17.92
    1,2-dichlorobenzene 61.76
    ethyl lactate 41.01
    propylene carbonate 131.55
    n-methylformamide 134.04
    2-pentanol 11.0
    n-pentane 0.54
    1-propoxy-2-propanol 46.67
    1-methoxy-2-propyl acetate 75.57
    2-(2-methoxypropoxy) propanol 66.88
    mesitylene 10.67
    ε-caprolactone 113.94
    p-cymene 11.71
    epichlorohydrin 326.47
    1,1,1-trichloroethane 83.26
    2-aminoethanol 19.64
    morpholine-4-carbaldehyde 259.51
    sulfolane 477.68
    2,2,4-trimethylpentane 1.07
    2-methyltetrahydrofuran 93.83
    n-hexyl acetate 32.04
    isooctane 0.67
    2-(2-butoxyethoxy)ethanol 62.52
    sec-butyl acetate 34.47
    tert-butyl acetate 58.82
    decalin 2.11
    glycerin 41.73
    diglyme 133.36
    acrylic acid 75.02
    isopropyl myristate 15.34
    n-butyric acid 53.92
    acetyl acetate 69.51
    di(2-ethylhexyl) phthalate 24.0
    ethyl propionate 56.22
    nitromethane 389.38
    1,2-diethoxyethane 50.31
    benzonitrile 64.59
    trioctyl phosphate 14.06
    1-bromopropane 40.03
    gamma-valerolactone 274.96
    n-decanol 6.38
    triethyl phosphate 37.12
    4-methyl-2-pentanol 9.98
    propionitrile 43.58
    vinylene carbonate 128.16
    1,1,2-trichlorotrifluoroethane 202.04
    DMS 70.14
    cumene 11.87
    2-octanol 5.36
    2-hexanone 57.6
    octyl acetate 19.55
    limonene 15.08
    1,2-dimethoxyethane 161.9
    ethyl orthosilicate 28.72
    tributyl phosphate 22.22
    diacetone alcohol 80.73
    N,N-dimethylaniline 47.18
    acrylonitrile 89.39
    aniline 45.24
    1,3-propanediol 32.47
    bromobenzene 58.74
    dibromomethane 111.23
    1,1,2,2-tetrachloroethane 202.2
    2-methyl-cyclohexyl acetate 41.61
    tetrabutyl urea 33.52
    diisobutyl methanol 9.69
    2-phenylethanol 38.15
    styrene 24.03
    dioctyl adipate 33.96
    dimethyl sulfate 198.47
    ethyl butyrate 47.57
    methyl lactate 66.05
    butyl lactate 27.85
    diethyl carbonate 44.61
    propanediol butyl ether 32.69
    triethyl orthoformate 36.32
    p-tert-butyltoluene 11.28
    methyl 4-tert-butylbenzoate 55.15
    morpholine 112.44
    tert-butylamine 14.74
    n-dodecanol 5.19
    dimethoxymethane 168.71
    ethylene carbonate 85.17
    cyrene 89.77
    2-ethoxyethyl acetate 48.68
    2-ethylhexyl acetate 37.22
    1,2,4-trichlorobenzene 81.9
    4-methylpyridine 111.17
    dibutyl ether 14.01
    2,6-dimethyl-4-heptanol 9.69
    DEF 108.26
    dimethyl isosorbide 126.0
    tetrachloroethylene 94.12
    eugenol 55.33
    triacetin 59.34
    span 80 37.95
    1,4-butanediol 14.45
    1,1-dichloroethane 88.28
    2-methyl-1-pentanol 20.83
    methyl formate 133.23
    2-methyl-1-butanol 15.9
    n-decane 0.76
    butyronitrile 40.37
    3,7-dimethyl-1-octanol 11.39
    1-chlorooctane 5.74
    1-chlorotetradecane 3.24
    n-nonane 0.6
    undecane 0.65
    tert-butylcyclohexane 1.87
    cyclooctane 0.4
    cyclopentanol 27.86
    tetrahydropyran 53.73
    tert-amyl methyl ether 29.35
    2,5,8-trioxanonane 111.28
    1-hexene 6.62
    2-isopropoxyethanol 45.37
    2,2,2-trifluoroethanol 57.01
    methyl butyrate 75.17

    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