3-Acetyl-2,5-dimethylfuran

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  • Identifiers

    CAS number
    10599-70-9

    Molecular formula
    C8H10O2

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

  • Odor profile

    Sweet 77.48%
    Nutty 72.42%
    Roasted 63.86%
    Caramellic 51.85%
    Musty 51.39%
    Burnt 46.29%
    Coumarinic 44.69%
    Earthy 43.46%
    Hay 43.31%
    Almond 41.17%

    Scent© AI

  • Properties

    XLogP3-AA
    1.5

    Molecular weight
    138.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 62.00 °C. @ 0.25 mm Hg

    Flash point est.
    60.76 ˚C

    Solubility expt.

    • slightly
    • Slightly soluble in water; Soluble in propylene glycol, most fixed oils
    • Soluble (in ethanol)

  • Synonyms

    • 3-Acetyl-2,5-dimethylfuran
    • 10599-70-9
    • 1-(2,5-dimethylfuran-3-yl)ethanone
    • 3-Acetyl-2,5-dimethyl furan
    • 1-(2,5-Dimethyl-3-furyl)ethan-1-one
    • Ethanone, 1-(2,5-dimethyl-3-furanyl)-
    • 2,5-Dimethyl-3-acetylfuran
    • 1-(2,5-dimethylfuran-3-yl)ethan-1-one
    • 2,5-Dimethyl-3-furyl methyl ketone
    • FEMA No. 3391
    • 1-(2,5-Dimethyl-3-furyl)ethanone
    • 1-(2,5-Dimethyl-3-furanyl)ethanone
    • Ketone, 2,5-dimethyl-3-furyl methyl
    • EINECS 234-216-3
    • UNII-798V2T7ZBV
    • 3-Acetyl-2-5-dimethylfuran
    • 798V2T7ZBV
    • DTXSID1030317
    • Furan, 3-acetyl-2,5-dimethyl
    • MFCD00010281
    • NSC-504254
    • DTXCID9010317
    • FEMA 3391
    • CHEBI:167367
    • NSC 504254
    • 1-(2,5-Dimethyl-3-furanyl)-Ethanone
    • 1-(2,5-dimethyl-furan-3-yl)-ethanone
    • 2,5-Dimethyl-3-furyl methyl ketone, 8CI
    • 1-(2,5-Dimethyl-3-furanyl)ethanone, 9CI
    • 3-ACETYL-2,5-DIMETHYLFURAN [FHFI]
    • 3-ACETYL-2,5-DIMETHYL FURAN [FCC]
    • 2.5-Dimethyl-3-acetyl furan
    • NSC504254
    • 2,5Dimethyl3acetylfuran
    • 3-acetyl 2.5-dimethylfuran
    • SCHEMBL873084
    • 1(2,5Dimethyl3furanyl)ethanone
    • 1(2,5Dimethyl3furyl)ethan1one
    • CHEMBL1894194
    • 2,5Dimethyl3furyl methyl ketone
    • Ketone, 2,5dimethyl3furyl methyl
    • Ethanone, 1(2,5dimethyl3furanyl)
    • Tox21_200275
    • 1-(2,5-dimethyluran-3-yl)ethanone
    • 3-Acetyl-2,5-dimethylfuran, 98%
    • AKOS009031202
    • AT17488
    • SB60961
    • 1-(2,5-Dimethyl-3-furyl)ethanone #
    • NCGC00091361-01
    • NCGC00091361-02
    • NCGC00257829-01
    • AS-61809
    • SY048648
    • CAS-10599-70-9
    • DB-022155
    • HY-114517
    • A1121
    • NS00005499
    • EN300-20898
    • 3-Acetyl-2,5-dimethylfuran, >=99%, FCC, FG
    • Q27266738

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 756.28
    methanol 1059.69
    isopropanol 596.81
    water 51.32
    ethyl acetate 755.05
    n-propanol 653.66
    acetone 1035.27
    n-butanol 578.6
    acetonitrile 921.46
    DMF 1680.03
    toluene 537.43
    isobutanol 506.03
    1,4-dioxane 1659.12
    methyl acetate 816.89
    THF 2040.48
    2-butanone 774.5
    n-pentanol 358.91
    sec-butanol 580.45
    n-hexane 175.53
    ethylene glycol 445.83
    NMP 1433.04
    cyclohexane 209.91
    DMSO 1078.13
    n-butyl acetate 253.74
    n-octanol 279.7
    chloroform 1562.71
    n-propyl acetate 290.86
    acetic acid 607.67
    dichloromethane 1686.61
    cyclohexanone 943.27
    propylene glycol 391.49
    isopropyl acetate 418.94
    DMAc 1375.36
    2-ethoxyethanol 669.46
    isopentanol 434.33
    n-heptane 82.36
    ethyl formate 447.78
    1,2-dichloroethane 953.25
    n-hexanol 400.25
    2-methoxyethanol 1428.08
    isobutyl acetate 193.73
    tetrachloromethane 379.32
    n-pentyl acetate 233.84
    transcutol 847.25
    n-heptanol 190.62
    ethylbenzene 251.84
    MIBK 402.8
    2-propoxyethanol 802.49
    tert-butanol 730.23
    MTBE 710.24
    2-butoxyethanol 313.75
    propionic acid 530.14
    o-xylene 335.6
    formic acid 384.66
    diethyl ether 897.6
    m-xylene 386.91
    p-xylene 304.87
    chlorobenzene 520.6
    dimethyl carbonate 469.11
    n-octane 45.2
    formamide 527.5
    cyclopentanone 1191.91
    2-pentanone 695.03
    anisole 553.4
    cyclopentyl methyl ether 1089.5
    gamma-butyrolactone 1334.97
    1-methoxy-2-propanol 973.48
    pyridine 768.43
    3-pentanone 591.51
    furfural 947.53
    n-dodecane 45.88
    diethylene glycol 689.15
    diisopropyl ether 278.51
    tert-amyl alcohol 610.21
    acetylacetone 811.23
    n-hexadecane 51.47
    acetophenone 372.65
    methyl propionate 767.61
    isopentyl acetate 223.58
    trichloroethylene 1360.5
    n-nonanol 228.6
    cyclohexanol 608.04
    benzyl alcohol 347.98
    2-ethylhexanol 219.09
    isooctanol 155.22
    dipropyl ether 288.12
    1,2-dichlorobenzene 457.11
    ethyl lactate 212.71
    propylene carbonate 578.3
    n-methylformamide 842.3
    2-pentanol 422.37
    n-pentane 149.85
    1-propoxy-2-propanol 399.42
    1-methoxy-2-propyl acetate 359.5
    2-(2-methoxypropoxy) propanol 310.37
    mesitylene 244.67
    ε-caprolactone 750.17
    p-cymene 128.54
    epichlorohydrin 1556.27
    1,1,1-trichloroethane 934.86
    2-aminoethanol 552.05
    morpholine-4-carbaldehyde 1322.79
    sulfolane 1304.95
    2,2,4-trimethylpentane 80.75
    2-methyltetrahydrofuran 1328.75
    n-hexyl acetate 433.16
    isooctane 61.0
    2-(2-butoxyethoxy)ethanol 394.86
    sec-butyl acetate 227.27
    tert-butyl acetate 442.87
    decalin 116.13
    glycerin 592.22
    diglyme 715.07
    acrylic acid 478.21
    isopropyl myristate 176.18
    n-butyric acid 548.55
    acetyl acetate 467.87
    di(2-ethylhexyl) phthalate 152.41
    ethyl propionate 398.09
    nitromethane 1222.82
    1,2-diethoxyethane 312.71
    benzonitrile 398.27
    trioctyl phosphate 123.98
    1-bromopropane 645.07
    gamma-valerolactone 1328.43
    n-decanol 167.11
    triethyl phosphate 156.81
    4-methyl-2-pentanol 243.29
    propionitrile 617.99
    vinylene carbonate 533.55
    1,1,2-trichlorotrifluoroethane 753.23
    DMS 388.67
    cumene 177.57
    2-octanol 176.37
    2-hexanone 340.3
    octyl acetate 228.2
    limonene 188.89
    1,2-dimethoxyethane 1009.89
    ethyl orthosilicate 153.55
    tributyl phosphate 146.65
    diacetone alcohol 503.81
    N,N-dimethylaniline 361.41
    acrylonitrile 715.87
    aniline 508.4
    1,3-propanediol 664.92
    bromobenzene 546.42
    dibromomethane 1090.25
    1,1,2,2-tetrachloroethane 1109.47
    2-methyl-cyclohexyl acetate 207.78
    tetrabutyl urea 198.14
    diisobutyl methanol 124.62
    2-phenylethanol 307.49
    styrene 290.38
    dioctyl adipate 218.66
    dimethyl sulfate 740.77
    ethyl butyrate 243.25
    methyl lactate 419.45
    butyl lactate 167.61
    diethyl carbonate 176.51
    propanediol butyl ether 295.62
    triethyl orthoformate 175.26
    p-tert-butyltoluene 139.81
    methyl 4-tert-butylbenzoate 346.01
    morpholine 1559.3
    tert-butylamine 481.11
    n-dodecanol 128.89
    dimethoxymethane 1285.07
    ethylene carbonate 464.38
    cyrene 337.63
    2-ethoxyethyl acetate 314.12
    2-ethylhexyl acetate 184.88
    1,2,4-trichlorobenzene 495.44
    4-methylpyridine 822.61
    dibutyl ether 266.48
    2,6-dimethyl-4-heptanol 124.62
    DEF 793.12
    dimethyl isosorbide 502.64
    tetrachloroethylene 757.91
    eugenol 300.37
    triacetin 322.02
    span 80 261.46
    1,4-butanediol 287.0
    1,1-dichloroethane 1005.0
    2-methyl-1-pentanol 315.26
    methyl formate 696.2
    2-methyl-1-butanol 471.74
    n-decane 70.3
    butyronitrile 539.34
    3,7-dimethyl-1-octanol 226.45
    1-chlorooctane 232.4
    1-chlorotetradecane 100.44
    n-nonane 71.87
    undecane 55.1
    tert-butylcyclohexane 114.68
    cyclooctane 99.74
    cyclopentanol 734.31
    tetrahydropyran 1195.77
    tert-amyl methyl ether 587.98
    2,5,8-trioxanonane 478.37
    1-hexene 323.86
    2-isopropoxyethanol 411.2
    2,2,2-trifluoroethanol 328.93
    methyl butyrate 433.17

    Scent© AI

1 4

IFRA standard 51

Recommendation
Prohibition
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0 %
Category 2
Products applied to the axillae
 0 % Category 7B
Leave-on products applied to the hair with some hand contact
 0 %
Category 3
Products applied to the face/body using fingertips
 0 % Category 8
Products with significant anogenital exposure
 0 %
Category 4
Products related to fine fragrance
 0 % Category 9
Products with body and hand exposure, primarily rinse off
 0 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0 % Category 10A
Household care products with mostly hand contact
 0 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0 %
Category 5D
Baby Creams, baby Oils and baby talc
 0 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0 %
Category 6
Products with oral and lip exposure
 0 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 0 %

Prohibition
3-Acetyl-2,5-dimethylfuran should not be used as a fragrance ingredient.