2-Benzofurancarboxaldehyde

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  • Identifiers

    CAS number
    4265-16-1

    Molecular formula
    C9H6O2

    SMILES
    C1=CC=C2C(=C1)C=C(O2)C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 89.01%
    Fruity 67.52%
    Almond 64.5%
    Cherry 56.17%
    Coumarinic 54.56%
    Nutty 52.46%
    Caramellic 51.39%
    Bitter 49.07%
    Powdery 45.69%
    Spicy 44.73%

     

    Flavor
    Sweet 62.06%
    Bitter 55.41%
    Almond 54.39%
    Tonka 35.88%
    Balsam 34.88%
    Woody 34.48%
    Cherry 31.16%
    Cinnamon 30.7%
    Coconut 28.03%
    Burnt sugar 27.95%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    5.4 (weak acid)

    Molecular weight
    146.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 195.00 to 198.00 °C. @ 760.00 mm Hg

    Boiling point

    • 130.00 to 131.00 °C. @ 13.00 mm Hg

    Flash point

    • 103.82 ˚C est.

    Solubility expt.

    • insoluble in water
    • slightly soluble (in ethanol)

  • Synonyms

    • 4265-16-1
    • 2-BENZOFURANCARBOXALDEHYDE
    • BENZO[B]FURAN-2-CARBOXALDEHYDE
    • 1-benzofuran-2-carbaldehyde
    • Benzofuran-2-carbaldehyde
    • 2-Formylbenzofuran
    • Benzofuran-2-carboxaldehyde
    • Coumarilaldehyde
    • Benzofuran-2-aldehyde
    • 2-Benzofurancarbaldehyde
    • Benzo(b)-2-furfural
    • 1-benzofuran-2-carboxaldehyde
    • 2-benzofuran carboxaldehyde
    • MFCD00015463
    • FEMA No. 3128
    • UNII-DGQ01SIT6T
    • DGQ01SIT6T
    • EINECS 224-248-6
    • DTXSID4047121
    • CHEMBL3189084
    • DTXCID2027121
    • 2-FORMYLBENZOFURAN [FHFI]
    • benzo(b)furan-2-carboxaldehyde
    • nchem.328-comp4c
    • 2-benzofuran carbaldehyde
    • benzofuran-2 carbaldehyde
    • benzo-furan-2-carbaldehyde
    • 1-benzouran-2-carbaldehyde
    • 2-BENZOFURANALDEHYDE
    • SCHEMBL91009
    • FEMA 3128
    • 2-Benzofurancarboxaldehyde, 97%
    • CHEBI:193658
    • STR06170
    • Tox21_302448
    • BDBM50037880
    • GEO-00272
    • AKOS000359832
    • AS-5561
    • CS-W004842
    • FB03355
    • NCGC00256910-01
    • SY013762
    • CAS-4265-16-1
    • DB-050952
    • NS00047150
    • EN300-22079
    • 2-Formylbenzofuran; 1-Benzofuran-2-carbaldehyde
    • Q27276395
    • Z147641868
    • 224-248-6

  • Applications

    2-Benzofurancarboxaldehyde, CAS 4265-16-1, is a useful building block in organic synthesis. In the fragrance and cosmetics industries, it is used as an intermediate and odorant carrier for developing aromatic compounds for perfumes and personal-care products. In industrial manufacturing, it often serves as a precursor for benzofuran derivatives used in pharmaceutical research and other specialty chemicals, and can be employed in coatings, inks and plastics-related syntheses. It is also a platform for research and development of new intermediates for these areas. Its use is subject to local regulations and formulation limitations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 216.23
    methanol 378.56
    isopropanol 107.91
    water 2.17
    ethyl acetate 388.02
    n-propanol 128.63
    acetone 717.5
    n-butanol 97.34
    acetonitrile 406.32
    DMF 791.51
    toluene 62.46
    isobutanol 82.48
    1,4-dioxane 424.98
    methyl acetate 535.71
    THF 710.45
    2-butanone 450.18
    n-pentanol 76.03
    sec-butanol 99.99
    n-hexane 5.79
    ethylene glycol 120.34
    NMP 417.93
    cyclohexane 8.45
    DMSO 718.55
    n-butyl acetate 140.33
    n-octanol 60.36
    chloroform 285.06
    n-propyl acetate 198.45
    acetic acid 216.58
    dichloromethane 578.3
    cyclohexanone 283.31
    propylene glycol 69.41
    isopropyl acetate 156.41
    DMAc 436.46
    2-ethoxyethanol 247.69
    isopentanol 89.74
    n-heptane 9.9
    ethyl formate 228.58
    1,2-dichloroethane 446.68
    n-hexanol 76.18
    2-methoxyethanol 446.16
    isobutyl acetate 107.69
    tetrachloromethane 32.66
    n-pentyl acetate 94.25
    transcutol 917.26
    n-heptanol 45.95
    ethylbenzene 52.64
    MIBK 128.14
    2-propoxyethanol 201.56
    tert-butanol 118.11
    MTBE 135.11
    2-butoxyethanol 122.23
    propionic acid 170.92
    o-xylene 50.63
    formic acid 118.84
    diethyl ether 214.96
    m-xylene 48.0
    p-xylene 63.36
    chlorobenzene 109.92
    dimethyl carbonate 217.07
    n-octane 6.94
    formamide 384.87
    cyclopentanone 579.75
    2-pentanone 282.23
    anisole 187.11
    cyclopentyl methyl ether 187.41
    gamma-butyrolactone 678.92
    1-methoxy-2-propanol 238.24
    pyridine 342.25
    3-pentanone 209.9
    furfural 411.19
    n-dodecane 8.35
    diethylene glycol 225.92
    diisopropyl ether 49.61
    tert-amyl alcohol 102.93
    acetylacetone 360.44
    n-hexadecane 9.23
    acetophenone 160.06
    methyl propionate 349.76
    isopentyl acetate 112.94
    trichloroethylene 598.16
    n-nonanol 53.74
    cyclohexanol 71.72
    benzyl alcohol 115.63
    2-ethylhexanol 49.45
    isooctanol 41.33
    dipropyl ether 75.15
    1,2-dichlorobenzene 110.15
    ethyl lactate 89.91
    propylene carbonate 264.11
    n-methylformamide 442.39
    2-pentanol 68.13
    n-pentane 5.95
    1-propoxy-2-propanol 113.94
    1-methoxy-2-propyl acetate 151.08
    2-(2-methoxypropoxy) propanol 153.34
    mesitylene 32.77
    ε-caprolactone 246.8
    p-cymene 35.02
    epichlorohydrin 781.72
    1,1,1-trichloroethane 184.98
    2-aminoethanol 121.31
    morpholine-4-carbaldehyde 440.56
    sulfolane 499.64
    2,2,4-trimethylpentane 6.38
    2-methyltetrahydrofuran 360.6
    n-hexyl acetate 143.52
    isooctane 5.29
    2-(2-butoxyethoxy)ethanol 210.98
    sec-butyl acetate 117.27
    tert-butyl acetate 142.23
    decalin 10.92
    glycerin 117.84
    diglyme 429.62
    acrylic acid 169.91
    isopropyl myristate 59.55
    n-butyric acid 167.95
    acetyl acetate 193.55
    di(2-ethylhexyl) phthalate 52.7
    ethyl propionate 182.37
    nitromethane 801.0
    1,2-diethoxyethane 214.0
    benzonitrile 141.65
    trioctyl phosphate 39.81
    1-bromopropane 139.17
    gamma-valerolactone 490.8
    n-decanol 43.79
    triethyl phosphate 58.45
    4-methyl-2-pentanol 48.41
    propionitrile 218.25
    vinylene carbonate 231.58
    1,1,2-trichlorotrifluoroethane 242.91
    DMS 205.82
    cumene 38.68
    2-octanol 38.06
    2-hexanone 159.03
    octyl acetate 74.1
    limonene 42.09
    1,2-dimethoxyethane 412.36
    ethyl orthosilicate 51.5
    tributyl phosphate 49.83
    diacetone alcohol 167.83
    N,N-dimethylaniline 97.53
    acrylonitrile 356.91
    aniline 97.05
    1,3-propanediol 155.04
    bromobenzene 108.53
    dibromomethane 249.09
    1,1,2,2-tetrachloroethane 325.83
    2-methyl-cyclohexyl acetate 79.52
    tetrabutyl urea 69.78
    diisobutyl methanol 37.13
    2-phenylethanol 95.39
    styrene 70.94
    dioctyl adipate 88.96
    dimethyl sulfate 265.32
    ethyl butyrate 109.8
    methyl lactate 126.67
    butyl lactate 74.38
    diethyl carbonate 89.18
    propanediol butyl ether 119.8
    triethyl orthoformate 68.68
    p-tert-butyltoluene 32.12
    methyl 4-tert-butylbenzoate 109.43
    morpholine 405.56
    tert-butylamine 59.74
    n-dodecanol 35.83
    dimethoxymethane 471.35
    ethylene carbonate 188.06
    cyrene 131.44
    2-ethoxyethyl acetate 181.19
    2-ethylhexyl acetate 87.54
    1,2,4-trichlorobenzene 122.65
    4-methylpyridine 232.67
    dibutyl ether 85.79
    2,6-dimethyl-4-heptanol 37.13
    DEF 271.41
    dimethyl isosorbide 221.38
    tetrachloroethylene 206.27
    eugenol 121.34
    triacetin 165.52
    span 80 92.15
    1,4-butanediol 76.47
    1,1-dichloroethane 261.35
    2-methyl-1-pentanol 73.16
    methyl formate 425.18
    2-methyl-1-butanol 80.72
    n-decane 11.16
    butyronitrile 158.31
    3,7-dimethyl-1-octanol 59.65
    1-chlorooctane 43.82
    1-chlorotetradecane 21.89
    n-nonane 10.31
    undecane 9.57
    tert-butylcyclohexane 9.81
    cyclooctane 4.48
    cyclopentanol 110.08
    tetrahydropyran 269.5
    tert-amyl methyl ether 102.89
    2,5,8-trioxanonane 273.96
    1-hexene 32.21
    2-isopropoxyethanol 163.31
    2,2,2-trifluoroethanol 105.87
    methyl butyrate 229.01

    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