N-((furan-2-yl)methyl)acetamide

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  • Identifiers

    CAS number
    5663-62-7

    Molecular formula
    C7H9NO2

    SMILES
    CC(=O)NCC1=CC=CO1

    Safety labels

  • Odor profile

    Fragrance
    Meaty 57.69%
    Roasted 53.01%
    Savory 40.57%
    Burnt 35.79%
    Nutty 34.83%
    Cooked 34.39%
    Coffee 30.24%
    Caramellic 28.15%
    Beefy 27.74%
    Sulfurous 25.41%

     

    Flavor
    Coffee 39.87%
    Roasted 37.93%
    Sulfury 37.18%
    Roast 35.45%
    Nutty 34.96%
    Burnt 31.18%
    Fatty 30.77%
    Milky 29.82%
    Cooked 29.06%
    Musty 29.01%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    6.25 (neutral)

    Molecular weight
    139.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    286°C

    Flash point

    • 112.53 ˚C est.

  • Synonyms

    • 5663-62-7
    • N-[(furan-2-yl)methyl]acetamide
    • DTXSID901017756
    • N-((furan-2-yl)methyl)acetamide
    • RefChem:1090724
    • DTXCID701475944
    • N-(furan-2-ylmethyl)acetamide
    • N-(2-furylmethyl)acetamide
    • N-Furfuryl-acetamid
    • MFCD01195311
    • N-(2-Furanylmethyl)acetamide
    • N-Acetyl-furfurylamin
    • 2(acetamidomethyl)-furan
    • SCHEMBL48668
    • orb3023788
    • SCHEMBL5804290
    • SCHEMBL20587868
    • HMS1788I21
    • AKOS001042353
    • TS-7270
    • CS-0277814
    • ST51005263
    • F98172
    • Z31407850
    • 5663-62-7

  • Applications

    N-((furan-2-yl)methyl)acetamide is primarily used as an organic synthesis intermediate. It provides a convenient N-substitution handle to introduce a furan-2-ylmethyl moiety onto amide backbones, enabling the construction of N-heteroaryl amide motifs for medicinal chemistry. In pharmaceutical and agrochemical research, it is commonly evaluated as a building block for lead compounds and as a precursor in the synthesis of more complex heteroaryl amides. The furan functionality also makes it a candidate for fragrance chemistry, where such intermediates can serve as odor precursors or components of fragrance libraries. Additionally, it can be used as a general building block in organic synthesis to introduce the furan-2-ylmethyl group, supporting library generation and materials-related studies such as polymers and coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 620.55
    methanol 1457.52
    isopropanol 399.0
    water 561.99
    ethyl acetate 83.8
    n-propanol 342.05
    acetone 249.05
    n-butanol 267.9
    acetonitrile 271.22
    DMF 1306.42
    toluene 60.1
    isobutanol 251.5
    1,4-dioxane 438.69
    methyl acetate 170.49
    THF 304.14
    2-butanone 159.82
    n-pentanol 152.56
    sec-butanol 238.15
    n-hexane 4.55
    ethylene glycol 423.65
    NMP 481.76
    cyclohexane 13.57
    DMSO 776.31
    n-butyl acetate 24.08
    n-octanol 54.63
    chloroform 187.27
    n-propyl acetate 37.58
    acetic acid 416.68
    dichloromethane 224.39
    cyclohexanone 173.86
    propylene glycol 376.35
    isopropyl acetate 38.24
    DMAc 1194.76
    2-ethoxyethanol 330.32
    isopentanol 167.68
    n-heptane 5.0
    ethyl formate 180.03
    1,2-dichloroethane 96.75
    n-hexanol 69.64
    2-methoxyethanol 728.89
    isobutyl acetate 24.12
    tetrachloromethane 24.81
    n-pentyl acetate 24.26
    transcutol 315.05
    n-heptanol 44.14
    ethylbenzene 29.22
    MIBK 41.69
    2-propoxyethanol 164.0
    tert-butanol 280.27
    MTBE 96.47
    2-butoxyethanol 100.49
    propionic acid 244.54
    o-xylene 53.18
    formic acid 623.25
    diethyl ether 77.64
    m-xylene 35.19
    p-xylene 44.86
    chlorobenzene 59.38
    dimethyl carbonate 96.45
    n-octane 2.82
    formamide 762.39
    cyclopentanone 183.06
    2-pentanone 78.52
    anisole 105.21
    cyclopentyl methyl ether 99.99
    gamma-butyrolactone 225.45
    1-methoxy-2-propanol 379.32
    pyridine 268.62
    3-pentanone 70.79
    furfural 325.15
    n-dodecane 3.74
    diethylene glycol 228.32
    diisopropyl ether 13.97
    tert-amyl alcohol 196.68
    acetylacetone 83.33
    n-hexadecane 3.95
    acetophenone 90.59
    methyl propionate 123.56
    isopentyl acetate 25.36
    trichloroethylene 164.55
    n-nonanol 49.49
    cyclohexanol 163.72
    benzyl alcohol 157.55
    2-ethylhexanol 34.66
    isooctanol 33.5
    dipropyl ether 29.77
    1,2-dichlorobenzene 52.99
    ethyl lactate 55.72
    propylene carbonate 108.77
    n-methylformamide 689.39
    2-pentanol 102.21
    n-pentane 7.13
    1-propoxy-2-propanol 88.66
    1-methoxy-2-propyl acetate 47.49
    2-(2-methoxypropoxy) propanol 99.34
    mesitylene 18.47
    ε-caprolactone 138.98
    p-cymene 16.92
    epichlorohydrin 227.62
    1,1,1-trichloroethane 64.23
    2-aminoethanol 546.78
    morpholine-4-carbaldehyde 567.78
    sulfolane 236.73
    2,2,4-trimethylpentane 4.78
    2-methyltetrahydrofuran 170.63
    n-hexyl acetate 42.35
    isooctane 2.21
    2-(2-butoxyethoxy)ethanol 129.12
    sec-butyl acetate 23.38
    tert-butyl acetate 33.5
    decalin 6.58
    glycerin 481.41
    diglyme 238.87
    acrylic acid 263.54
    isopropyl myristate 19.88
    n-butyric acid 201.16
    acetyl acetate 54.75
    di(2-ethylhexyl) phthalate 32.24
    ethyl propionate 42.84
    nitromethane 487.29
    1,2-diethoxyethane 62.39
    benzonitrile 114.58
    trioctyl phosphate 20.75
    1-bromopropane 53.79
    gamma-valerolactone 361.44
    n-decanol 37.36
    triethyl phosphate 26.39
    4-methyl-2-pentanol 47.92
    propionitrile 177.16
    vinylene carbonate 144.5
    1,1,2-trichlorotrifluoroethane 248.65
    DMS 45.85
    cumene 22.35
    2-octanol 27.75
    2-hexanone 45.53
    octyl acetate 28.75
    limonene 23.41
    1,2-dimethoxyethane 405.67
    ethyl orthosilicate 26.26
    tributyl phosphate 22.87
    diacetone alcohol 84.41
    N,N-dimethylaniline 94.19
    acrylonitrile 261.72
    aniline 171.97
    1,3-propanediol 461.36
    bromobenzene 45.77
    dibromomethane 103.53
    1,1,2,2-tetrachloroethane 138.54
    2-methyl-cyclohexyl acetate 32.28
    tetrabutyl urea 41.84
    diisobutyl methanol 18.96
    2-phenylethanol 73.81
    styrene 39.46
    dioctyl adipate 34.81
    dimethyl sulfate 159.11
    ethyl butyrate 29.43
    methyl lactate 130.01
    butyl lactate 37.3
    diethyl carbonate 28.0
    propanediol butyl ether 113.16
    triethyl orthoformate 29.89
    p-tert-butyltoluene 15.54
    methyl 4-tert-butylbenzoate 63.3
    morpholine 526.94
    tert-butylamine 141.54
    n-dodecanol 28.69
    dimethoxymethane 362.92
    ethylene carbonate 114.67
    cyrene 114.65
    2-ethoxyethyl acetate 42.37
    2-ethylhexyl acetate 19.65
    1,2,4-trichlorobenzene 70.44
    4-methylpyridine 250.67
    dibutyl ether 32.58
    2,6-dimethyl-4-heptanol 18.96
    DEF 229.85
    dimethyl isosorbide 108.51
    tetrachloroethylene 92.69
    eugenol 80.33
    triacetin 55.2
    span 80 74.86
    1,4-butanediol 229.09
    1,1-dichloroethane 96.21
    2-methyl-1-pentanol 104.47
    methyl formate 410.58
    2-methyl-1-butanol 178.61
    n-decane 5.32
    butyronitrile 159.83
    3,7-dimethyl-1-octanol 43.58
    1-chlorooctane 17.57
    1-chlorotetradecane 9.33
    n-nonane 4.66
    undecane 4.29
    tert-butylcyclohexane 5.28
    cyclooctane 4.08
    cyclopentanol 205.5
    tetrahydropyran 201.3
    tert-amyl methyl ether 73.92
    2,5,8-trioxanonane 192.84
    1-hexene 20.51
    2-isopropoxyethanol 152.77
    2,2,2-trifluoroethanol 188.36
    methyl butyrate 71.04

    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