2-Acetyl-5-Methylfuran

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1193-79-9

    Molecular formula
    C7H8O2

    SMILES
    CC1=CC=C(O1)C(=O)C

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1848.0

  • Odor profile

    Sweet 88.31%
    Nutty 75.86%
    Caramellic 71.48%
    Coumarinic 56.62%
    Hay 50.74%
    Almond 48.0%
    Roasted 47.08%
    Musty 46.43%
    Vanilla 41.88%
    Burnt 39.61%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    6.8 (neutral)

    Molecular weight
    124.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 100.00 to 101.00 °C. @ 25.00 mm Hg

    Flash point est.
    49.99 ˚C

    Solubility expt.

    • slightly
    • Slightly soluble in water; Soluble in corn oil
    • Soluble (in ethanol)

  • Synonyms

    • 2-ACETYL-5-METHYLFURAN
    • 1193-79-9
    • 1-(5-methylfuran-2-yl)ethanone
    • 5-Methyl-2-acetylfuran
    • Ethanone, 1-(5-methyl-2-furanyl)-
    • 1-(5-Methyl-2-furyl)ethanone
    • 5-Methyl-2-furylmethylketone
    • 1-(5-Methyl-2-furyl)ethan-1-one
    • 2-Methyl-5-acetylfuran
    • 1-(5-Methyl-2-furanyl)ethanone
    • 5-Acetyl-2-methylfuran
    • Methyl 5-methyl-2-furyl ketone
    • Furan, 2-acetyl-5-methyl-
    • 2-Acetyl-5-methyl-furan
    • Ketone, methyl 5-methyl-2-furyl
    • FEMA No. 3609
    • CHEBI:562752
    • EINECS 214-779-1
    • MFCD00003243
    • NSC 80404
    • UNII-IY49408H2O
    • BRN 0110853
    • 2-Acetyl, 5-mefuran
    • IY49408H2O
    • NSC-80404
    • 1-(5-methylfuran-2-yl)ethan-1-one
    • FEMA 3069
    • DTXSID70152409
    • 1-(5-Methyl-2-furanyl)-Ethanone
    • 5-17-09-00424 (Beilstein Handbook Reference)
    • 1-(5-methyl-furan-2-yl)-ethanone
    • 2-ACETYL-5-METHYLFURAN [FHFI]
    • 1-(5-Methyl-2-furanyl)ethanone, 9CI
    • Methyl (5-methyl-2-furyl) ketone, 8CI
    • 2-acetyl-5-methyl furan
    • NSC80404
    • 2-Acetyl 5-methylfuran
    • 2-acetyl 5-methyl furan
    • Epitope ID:136040
    • SCHEMBL183532
    • CHEMBL455506
    • 2-Acetyl-5-methylfuran, 98%
    • DTXCID2074900
    • 1-(5-Methyl-2-furyl) ethanone
    • 1-(5-Methyl-2-furyl)ethanone #
    • ALBB-002841
    • BBL027428
    • GEO-00034
    • STK502523
    • AKOS000119488
    • CS-W013529
    • FM00813
    • SB60892
    • 2-Acetyl-5-methylfuran, >=98%, FG
    • AC-23593
    • DS-17000
    • SY013987
    • DB-003537
    • 2-Acetyl-5-methylfuran, analytical standard
    • A0983
    • NS00020938
    • EN300-18886
    • Q18347448
    • Z94598638
    • F0001-0319
    • 2-Acetyl-5-methyl furan; 1-(5-Methyl-2-furyl)ethan-1-one

  • Applications

    2-Acetyl-5-methylfuran (CAS 1193-79-9) is a Maillard-derived flavour compound widely employed to impart caramel, roasted nut and burnt-sugar notes to foods, beverages, instant coffee, chocolate, soft drinks and even e-cigarette liquids; in perfumery it enriches gourmand accords with a warm sweet facet and serves as a reference standard in sensory analysis, gas chromatography and process optimisation for roasting technologies; beyond flavour and fragrance, the molecule functions as an intermediate in the synthesis of pharmaceuticals, agrochemicals and bio-based polymers, and is investigated for use in aroma sensors and intelligent packaging owing to its characteristic volatility; nevertheless its application must comply with food-safety regulations, occupational exposure limits and FEMA/IFRA guidelines to safeguard consumer health.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 872.26
    methanol 1465.46
    isopropanol 676.88
    water 60.87
    ethyl acetate 568.66
    n-propanol 666.19
    acetone 917.03
    n-butanol 580.9
    acetonitrile 701.83
    DMF 1751.57
    toluene 291.15
    isobutanol 542.52
    1,4-dioxane 1053.73
    methyl acetate 758.79
    THF 931.0
    2-butanone 698.08
    n-pentanol 374.41
    sec-butanol 599.22
    n-hexane 89.77
    ethylene glycol 536.47
    NMP 1021.01
    cyclohexane 71.55
    DMSO 1207.7
    n-butyl acetate 209.26
    n-octanol 249.93
    chloroform 1107.65
    n-propyl acetate 248.25
    acetic acid 439.9
    dichloromethane 1248.13
    cyclohexanone 630.16
    propylene glycol 453.01
    isopropyl acetate 308.62
    DMAc 1530.83
    2-ethoxyethanol 766.25
    isopentanol 450.94
    n-heptane 46.72
    ethyl formate 494.02
    1,2-dichloroethane 692.18
    n-hexanol 312.79
    2-methoxyethanol 1452.85
    isobutyl acetate 163.41
    tetrachloromethane 223.58
    n-pentyl acetate 189.62
    transcutol 920.8
    n-heptanol 174.33
    ethylbenzene 188.21
    MIBK 329.1
    2-propoxyethanol 656.53
    tert-butanol 671.07
    MTBE 586.9
    2-butoxyethanol 328.06
    propionic acid 459.32
    o-xylene 241.45
    formic acid 368.33
    diethyl ether 546.5
    m-xylene 222.96
    p-xylene 258.75
    chlorobenzene 347.46
    dimethyl carbonate 335.79
    n-octane 32.92
    formamide 475.32
    cyclopentanone 750.44
    2-pentanone 527.27
    anisole 469.12
    cyclopentyl methyl ether 468.96
    gamma-butyrolactone 791.68
    1-methoxy-2-propanol 936.56
    pyridine 512.94
    3-pentanone 439.12
    furfural 809.41
    n-dodecane 37.2
    diethylene glycol 677.2
    diisopropyl ether 169.35
    tert-amyl alcohol 585.61
    acetylacetone 672.75
    n-hexadecane 40.45
    acetophenone 356.54
    methyl propionate 547.74
    isopentyl acetate 193.88
    trichloroethylene 1008.53
    n-nonanol 203.38
    cyclohexanol 408.19
    benzyl alcohol 339.28
    2-ethylhexanol 175.89
    isooctanol 143.52
    dipropyl ether 188.61
    1,2-dichlorobenzene 351.78
    ethyl lactate 215.02
    propylene carbonate 416.19
    n-methylformamide 802.57
    2-pentanol 377.2
    n-pentane 78.44
    1-propoxy-2-propanol 353.38
    1-methoxy-2-propyl acetate 286.04
    2-(2-methoxypropoxy) propanol 315.98
    mesitylene 154.24
    ε-caprolactone 517.3
    p-cymene 102.73
    epichlorohydrin 933.6
    1,1,1-trichloroethane 608.13
    2-aminoethanol 646.18
    morpholine-4-carbaldehyde 1193.15
    sulfolane 910.6
    2,2,4-trimethylpentane 59.63
    2-methyltetrahydrofuran 676.21
    n-hexyl acetate 321.05
    isooctane 42.03
    2-(2-butoxyethoxy)ethanol 393.36
    sec-butyl acetate 187.81
    tert-butyl acetate 333.18
    decalin 65.18
    glycerin 625.55
    diglyme 750.16
    acrylic acid 427.36
    isopropyl myristate 140.21
    n-butyric acid 438.52
    acetyl acetate 357.83
    di(2-ethylhexyl) phthalate 126.64
    ethyl propionate 290.72
    nitromethane 1056.49
    1,2-diethoxyethane 309.84
    benzonitrile 379.33
    trioctyl phosphate 102.08
    1-bromopropane 446.88
    gamma-valerolactone 968.69
    n-decanol 154.25
    triethyl phosphate 124.59
    4-methyl-2-pentanol 209.05
    propionitrile 490.16
    vinylene carbonate 419.54
    1,1,2-trichlorotrifluoroethane 635.9
    DMS 312.98
    cumene 147.92
    2-octanol 159.42
    2-hexanone 311.71
    octyl acetate 175.04
    limonene 139.46
    1,2-dimethoxyethane 1081.27
    ethyl orthosilicate 121.4
    tributyl phosphate 119.34
    diacetone alcohol 423.56
    N,N-dimethylaniline 338.03
    acrylonitrile 618.59
    aniline 348.26
    1,3-propanediol 722.07
    bromobenzene 359.87
    dibromomethane 747.52
    1,1,2,2-tetrachloroethane 816.2
    2-methyl-cyclohexyl acetate 157.68
    tetrabutyl urea 167.65
    diisobutyl methanol 109.1
    2-phenylethanol 254.69
    styrene 229.02
    dioctyl adipate 177.21
    dimethyl sulfate 586.54
    ethyl butyrate 193.67
    methyl lactate 369.25
    butyl lactate 164.26
    diethyl carbonate 149.38
    propanediol butyl ether 351.59
    triethyl orthoformate 141.7
    p-tert-butyltoluene 108.23
    methyl 4-tert-butylbenzoate 282.7
    morpholine 929.25
    tert-butylamine 423.47
    n-dodecanol 121.88
    dimethoxymethane 948.2
    ethylene carbonate 341.43
    cyrene 303.28
    2-ethoxyethyl acetate 264.95
    2-ethylhexyl acetate 148.74
    1,2,4-trichlorobenzene 397.94
    4-methylpyridine 632.73
    dibutyl ether 213.7
    2,6-dimethyl-4-heptanol 109.1
    DEF 715.87
    dimethyl isosorbide 411.35
    tetrachloroethylene 549.62
    eugenol 297.75
    triacetin 279.69
    span 80 219.88
    1,4-butanediol 363.46
    1,1-dichloroethane 730.26
    2-methyl-1-pentanol 327.54
    methyl formate 745.1
    2-methyl-1-butanol 490.49
    n-decane 53.2
    butyronitrile 471.12
    3,7-dimethyl-1-octanol 206.55
    1-chlorooctane 170.47
    1-chlorotetradecane 81.57
    n-nonane 53.74
    undecane 43.47
    tert-butylcyclohexane 71.88
    cyclooctane 34.89
    cyclopentanol 459.8
    tetrahydropyran 557.31
    tert-amyl methyl ether 452.06
    2,5,8-trioxanonane 502.17
    1-hexene 211.85
    2-isopropoxyethanol 441.51
    2,2,2-trifluoroethanol 282.76
    methyl butyrate 383.9

    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

Botanical

Name CAS Botanical Proportion
Olibanum, African (Oman) 8016-36-2 Boswellia frereana Birdwood, fam. Burseraceae 0.01%
Chicory root, roasted 1a 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.04%