1-(3-Methylfuran-2-yl)ethan-1-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    13101-45-6

    Molecular formula
    C7H8O2

    SMILES
    CC1=C(OC=C1)C(=O)C

  • Odor profile

    Sweet 80.15%
    Nutty 74.41%
    Caramellic 68.89%
    Roasted 56.06%
    Coumarinic 49.62%
    Hay 44.72%
    Almond 44.63%
    Musty 43.49%
    Burnt 43.02%
    Coffee 41.13%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    124.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    192°C

    Flash point est.
    50.36 ˚C

  • Synonyms

    • 1-(3-methylfuran-2-yl)ethan-1-one
    • 13101-45-6
    • 1-(3-methylfuran-2-yl)ethanone
    • 2-acetyl-3-methylfuran
    • Ethanone, 1-(3-methyl-2-furanyl)-
    • 3-methyl-2-acetylfuran
    • SCHEMBL5319584
    • 1-(3-methyluran-2-yl)ethanone
    • DTXSID90484017
    • CHEBI:178476
    • RJBGVAIXGHZIDY-UHFFFAOYSA-N
    • NAA10145
    • AKOS018710471
    • 1-(3-Methyl-2-furanyl)ethanone, 9CI
    • Methyl (3-methyl-2-furyl) ketone, 8CI
    • CS-0222707
    • EN300-112275
    • Z1386912896

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1714.57
    methanol 2807.5
    isopropanol 1067.69
    water 88.48
    ethyl acetate 1152.65
    n-propanol 1324.9
    acetone 1371.14
    n-butanol 1128.49
    acetonitrile 1971.57
    DMF 1764.4
    toluene 561.56
    isobutanol 957.14
    1,4-dioxane 2116.03
    methyl acetate 1128.29
    THF 2327.94
    2-butanone 980.97
    n-pentanol 843.11
    sec-butanol 893.39
    n-hexane 246.38
    ethylene glycol 554.62
    NMP 1304.98
    cyclohexane 312.05
    DMSO 1355.58
    n-butyl acetate 510.13
    n-octanol 344.37
    chloroform 2306.67
    n-propyl acetate 590.12
    acetic acid 1433.88
    dichloromethane 2935.16
    cyclohexanone 1150.41
    propylene glycol 326.93
    isopropyl acetate 563.7
    DMAc 929.8
    2-ethoxyethanol 1531.6
    isopentanol 914.71
    n-heptane 138.13
    ethyl formate 855.07
    1,2-dichloroethane 1648.75
    n-hexanol 624.04
    2-methoxyethanol 2245.3
    isobutyl acetate 332.04
    tetrachloromethane 557.99
    n-pentyl acetate 367.72
    transcutol 2000.67
    n-heptanol 286.08
    ethylbenzene 321.68
    MIBK 601.22
    2-propoxyethanol 1045.4
    tert-butanol 1204.87
    MTBE 994.41
    2-butoxyethanol 495.93
    propionic acid 800.98
    o-xylene 342.39
    formic acid 1205.79
    diethyl ether 1648.13
    m-xylene 388.3
    p-xylene 388.67
    chlorobenzene 720.91
    dimethyl carbonate 500.77
    n-octane 62.07
    formamide 1519.38
    cyclopentanone 1331.68
    2-pentanone 934.65
    anisole 725.76
    cyclopentyl methyl ether 1203.21
    gamma-butyrolactone 1613.37
    1-methoxy-2-propanol 1261.29
    pyridine 1133.05
    3-pentanone 750.19
    furfural 1317.08
    n-dodecane 47.89
    diethylene glycol 933.89
    diisopropyl ether 423.67
    tert-amyl alcohol 888.46
    acetylacetone 857.62
    n-hexadecane 53.46
    acetophenone 501.23
    methyl propionate 900.43
    isopentyl acetate 434.7
    trichloroethylene 2331.05
    n-nonanol 289.13
    cyclohexanol 866.11
    benzyl alcohol 560.23
    2-ethylhexanol 334.92
    isooctanol 237.0
    dipropyl ether 491.55
    1,2-dichlorobenzene 622.08
    ethyl lactate 264.04
    propylene carbonate 750.38
    n-methylformamide 1438.68
    2-pentanol 740.81
    n-pentane 249.78
    1-propoxy-2-propanol 575.28
    1-methoxy-2-propyl acetate 472.92
    2-(2-methoxypropoxy) propanol 417.38
    mesitylene 257.13
    ε-caprolactone 982.55
    p-cymene 168.92
    epichlorohydrin 2065.55
    1,1,1-trichloroethane 1292.46
    2-aminoethanol 832.86
    morpholine-4-carbaldehyde 1539.43
    sulfolane 1425.31
    2,2,4-trimethylpentane 116.83
    2-methyltetrahydrofuran 1757.77
    n-hexyl acetate 553.79
    isooctane 92.5
    2-(2-butoxyethoxy)ethanol 635.41
    sec-butyl acetate 368.51
    tert-butyl acetate 628.26
    decalin 126.07
    glycerin 532.08
    diglyme 1179.49
    acrylic acid 760.46
    isopropyl myristate 215.62
    n-butyric acid 946.78
    acetyl acetate 583.58
    di(2-ethylhexyl) phthalate 176.62
    ethyl propionate 583.51
    nitromethane 2224.39
    1,2-diethoxyethane 784.21
    benzonitrile 681.98
    trioctyl phosphate 139.77
    1-bromopropane 977.89
    gamma-valerolactone 1599.01
    n-decanol 208.62
    triethyl phosphate 202.97
    4-methyl-2-pentanol 409.6
    propionitrile 1229.96
    vinylene carbonate 768.05
    1,1,2-trichlorotrifluoroethane 885.45
    DMS 451.7
    cumene 218.88
    2-octanol 235.77
    2-hexanone 611.06
    octyl acetate 260.97
    limonene 251.28
    1,2-dimethoxyethane 1766.19
    ethyl orthosilicate 210.09
    tributyl phosphate 182.18
    diacetone alcohol 638.47
    N,N-dimethylaniline 439.78
    acrylonitrile 1281.25
    aniline 650.13
    1,3-propanediol 1136.27
    bromobenzene 738.73
    dibromomethane 1814.43
    1,1,2,2-tetrachloroethane 1447.98
    2-methyl-cyclohexyl acetate 306.08
    tetrabutyl urea 234.56
    diisobutyl methanol 209.96
    2-phenylethanol 424.13
    styrene 426.31
    dioctyl adipate 269.99
    dimethyl sulfate 577.33
    ethyl butyrate 407.25
    methyl lactate 368.13
    butyl lactate 228.68
    diethyl carbonate 281.07
    propanediol butyl ether 397.88
    triethyl orthoformate 272.38
    p-tert-butyltoluene 163.15
    methyl 4-tert-butylbenzoate 395.54
    morpholine 2087.77
    tert-butylamine 838.36
    n-dodecanol 161.29
    dimethoxymethane 1609.93
    ethylene carbonate 690.05
    cyrene 459.9
    2-ethoxyethyl acetate 507.39
    2-ethylhexyl acetate 335.84
    1,2,4-trichlorobenzene 637.49
    4-methylpyridine 1114.5
    dibutyl ether 444.3
    2,6-dimethyl-4-heptanol 209.96
    DEF 986.74
    dimethyl isosorbide 708.56
    tetrachloroethylene 1168.88
    eugenol 384.46
    triacetin 395.86
    span 80 321.76
    1,4-butanediol 555.82
    1,1-dichloroethane 1537.55
    2-methyl-1-pentanol 687.86
    methyl formate 1228.98
    2-methyl-1-butanol 858.1
    n-decane 79.81
    butyronitrile 1174.23
    3,7-dimethyl-1-octanol 315.89
    1-chlorooctane 251.72
    1-chlorotetradecane 102.89
    n-nonane 83.2
    undecane 59.63
    tert-butylcyclohexane 122.2
    cyclooctane 114.71
    cyclopentanol 966.89
    tetrahydropyran 1767.89
    tert-amyl methyl ether 741.97
    2,5,8-trioxanonane 767.8
    1-hexene 548.93
    2-isopropoxyethanol 838.18
    2,2,2-trifluoroethanol 580.91
    methyl butyrate 695.46

    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
Perilla frutescens (Japan) 2 90082-61-4 Perilla frutescens Brit. (P. nankinensis x P frutescens), fam. Lamiaceae 0.75%