7-Methyl-2-benzofurancarboxaldehyde

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  • Identifiers

    CAS number
    57897-70-8

    Molecular formula
    C10H8O2

    SMILES
    CC1=C2C(=CC=C1)C=C(O2)C=O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 77.78%
    Fruity 55.34%
    Almond 51.52%
    Floral 51.24%
    Coumarinic 49.04%
    Cherry 48.31%
    Powdery 45.33%
    Nutty 42.15%
    Caramellic 39.94%
    Bitter 39.57%

     

    Flavor
    Bitter 55.5%
    Sweet 40.09%
    Almond 38.45%
    Woody 31.44%
    Tonka 27.71%
    Tobacco 25.23%
    Cherry 25.2%
    Vanilla 25.2%
    Phenolic 23.57%
    Burnt sugar 23.54%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    5.6 (weak acid)

    Molecular weight
    160.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    298°C

    Melting point expt.

    • 58 - 59 °C

    Flash point

    • 108.44 ˚C est.

  • Synonyms

    • 57897-70-8
    • 7-METHYL-2-BENZOFURANCARBOXALDEHYDE
    • 7-methyl-1-benzofuran-2-carbaldehyde
    • RefChem:106337
    • 7-methylbenzofuran-2-carbaldehyde
    • 2-BENZOFURANCARBOXALDEHYDE, 7-METHYL-
    • 2-Benzofurancarboxaldehyde, 7-methyl-
    • 9GWD3SYT6Q
    • 7-Methylbenzofuran-2-aldehyde
    • 7Methyl-benzofuran-2-aldehyde
    • 7-methyl-benzofuran-2-aldehyde
    • SCHEMBL9550366
    • 7 -Methyl-benzofuran-2-aldehyde
    • DTXSID801294793
    • 7-methyl-benzofuran-2-carbaldehyde
    • AKOS002679703
    • MB09961
    • DB-323729
    • 57897-70-8

  • Applications

    Chemical name: 7-Methyl-2-benzofurancarboxaldehyde; CAS number: 57897-70-8 is typically employed as an intermediate in organic synthesis and as a fragrance-related ingredient. In perfumery it may function as an odorant or fragrance precursor; in cosmetics and personal care it can be used as a fragrance component; in household products it may contribute to scents in cleaners and air‑freshening formulations; in industrial manufacturing it serves as a building block for aroma‑bearing intermediates and other specialty chemicals; in polymers and plastics it can be used as a precursor for aroma‑functional monomers or coatings; and in pharmaceutical synthesis it may appear as a synthetic intermediate under appropriate regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 328.07
    methanol 521.02
    isopropanol 161.75
    water 1.56
    ethyl acetate 642.85
    n-propanol 204.83
    acetone 956.84
    n-butanol 180.21
    acetonitrile 547.44
    DMF 1093.7
    toluene 176.81
    isobutanol 136.85
    1,4-dioxane 650.36
    methyl acetate 704.55
    THF 1353.31
    2-butanone 620.56
    n-pentanol 120.31
    sec-butanol 138.9
    n-hexane 13.57
    ethylene glycol 110.78
    NMP 582.26
    cyclohexane 17.21
    DMSO 682.19
    n-butyl acetate 264.27
    n-octanol 79.1
    chloroform 627.86
    n-propyl acetate 302.41
    acetic acid 268.35
    dichloromethane 1159.72
    cyclohexanone 480.11
    propylene glycol 71.56
    isopropyl acetate 264.91
    DMAc 489.39
    2-ethoxyethanol 343.66
    isopentanol 157.65
    n-heptane 16.57
    ethyl formate 362.68
    1,2-dichloroethane 774.48
    n-hexanol 130.29
    2-methoxyethanol 596.73
    isobutyl acetate 173.23
    tetrachloromethane 72.39
    n-pentyl acetate 159.98
    transcutol 947.61
    n-heptanol 67.57
    ethylbenzene 97.77
    MIBK 223.27
    2-propoxyethanol 322.86
    tert-butanol 174.19
    MTBE 246.79
    2-butoxyethanol 169.53
    propionic acid 233.72
    o-xylene 100.94
    formic acid 149.48
    diethyl ether 403.5
    m-xylene 120.61
    p-xylene 114.8
    chlorobenzene 228.66
    dimethyl carbonate 324.75
    n-octane 11.17
    formamide 426.0
    cyclopentanone 975.33
    2-pentanone 474.46
    anisole 278.74
    cyclopentyl methyl ether 391.37
    gamma-butyrolactone 1138.34
    1-methoxy-2-propanol 354.8
    pyridine 523.95
    3-pentanone 334.8
    furfural 642.45
    n-dodecane 10.93
    diethylene glycol 295.85
    diisopropyl ether 87.94
    tert-amyl alcohol 147.91
    acetylacetone 559.57
    n-hexadecane 12.57
    acetophenone 233.88
    methyl propionate 560.54
    isopentyl acetate 201.41
    trichloroethylene 1141.33
    n-nonanol 69.93
    cyclohexanol 124.28
    benzyl alcohol 174.64
    2-ethylhexanol 79.04
    isooctanol 61.19
    dipropyl ether 128.25
    1,2-dichlorobenzene 201.05
    ethyl lactate 120.09
    propylene carbonate 438.92
    n-methylformamide 648.39
    2-pentanol 115.82
    n-pentane 13.96
    1-propoxy-2-propanol 170.16
    1-methoxy-2-propyl acetate 243.39
    2-(2-methoxypropoxy) propanol 182.29
    mesitylene 68.64
    ε-caprolactone 417.44
    p-cymene 57.13
    epichlorohydrin 1324.36
    1,1,1-trichloroethane 371.3
    2-aminoethanol 140.59
    morpholine-4-carbaldehyde 608.94
    sulfolane 747.92
    2,2,4-trimethylpentane 11.11
    2-methyltetrahydrofuran 643.9
    n-hexyl acetate 231.81
    isooctane 9.88
    2-(2-butoxyethoxy)ethanol 260.78
    sec-butyl acetate 177.36
    tert-butyl acetate 254.33
    decalin 18.08
    glycerin 119.0
    diglyme 516.56
    acrylic acid 223.76
    isopropyl myristate 84.39
    n-butyric acid 265.93
    acetyl acetate 288.2
    di(2-ethylhexyl) phthalate 74.54
    ethyl propionate 275.44
    nitromethane 935.12
    1,2-diethoxyethane 308.04
    benzonitrile 226.54
    trioctyl phosphate 55.58
    1-bromopropane 270.71
    gamma-valerolactone 839.04
    n-decanol 55.12
    triethyl phosphate 81.14
    4-methyl-2-pentanol 78.04
    propionitrile 322.4
    vinylene carbonate 392.74
    1,1,2-trichlorotrifluoroethane 344.31
    DMS 292.54
    cumene 64.8
    2-octanol 55.34
    2-hexanone 243.09
    octyl acetate 104.96
    limonene 68.58
    1,2-dimethoxyethane 555.0
    ethyl orthosilicate 76.91
    tributyl phosphate 75.43
    diacetone alcohol 251.57
    N,N-dimethylaniline 140.08
    acrylonitrile 517.64
    aniline 186.96
    1,3-propanediol 201.23
    bromobenzene 245.57
    dibromomethane 534.72
    1,1,2,2-tetrachloroethane 576.2
    2-methyl-cyclohexyl acetate 125.99
    tetrabutyl urea 91.63
    diisobutyl methanol 54.11
    2-phenylethanol 156.45
    styrene 133.63
    dioctyl adipate 116.36
    dimethyl sulfate 343.91
    ethyl butyrate 165.77
    methyl lactate 160.26
    butyl lactate 107.56
    diethyl carbonate 128.06
    propanediol butyl ether 145.7
    triethyl orthoformate 102.45
    p-tert-butyltoluene 54.82
    methyl 4-tert-butylbenzoate 150.66
    morpholine 608.55
    tert-butylamine 95.66
    n-dodecanol 44.6
    dimethoxymethane 789.78
    ethylene carbonate 325.41
    cyrene 185.14
    2-ethoxyethyl acetate 291.22
    2-ethylhexyl acetate 155.59
    1,2,4-trichlorobenzene 213.78
    4-methylpyridine 421.42
    dibutyl ether 122.42
    2,6-dimethyl-4-heptanol 54.11
    DEF 425.75
    dimethyl isosorbide 313.36
    tetrachloroethylene 368.95
    eugenol 160.87
    triacetin 213.6
    span 80 115.87
    1,4-butanediol 91.34
    1,1-dichloroethane 508.26
    2-methyl-1-pentanol 119.65
    methyl formate 619.12
    2-methyl-1-butanol 140.44
    n-decane 16.29
    butyronitrile 264.78
    3,7-dimethyl-1-octanol 79.08
    1-chlorooctane 66.3
    1-chlorotetradecane 30.48
    n-nonane 15.25
    undecane 13.22
    tert-butylcyclohexane 17.0
    cyclooctane 9.05
    cyclopentanol 188.74
    tetrahydropyran 484.19
    tert-amyl methyl ether 174.82
    2,5,8-trioxanonane 309.43
    1-hexene 67.29
    2-isopropoxyethanol 227.63
    2,2,2-trifluoroethanol 135.42
    methyl butyrate 328.11

    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