1-(3-Methyl-2-furyl)propan-1-one

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  • Identifiers

    CAS number
    23747-34-4

    Molecular formula
    C8H10O2

    SMILES
    CCC(=O)C1=C(C=CO1)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Caramellic 71.25%
    Nutty 68.58%
    Roasted 62.35%
    Sweet 44.23%
    Coffee 41.29%
    Burnt 41.22%
    Buttery 36.65%
    Hazelnut 36.08%
    Musty 34.28%
    Almond 32.37%

    Scent© AI

  • Properties

    XLogP3-AA
    1.8

    Molecular weight
    138.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    208°C

    Flash point est.
    63.32 ˚C

  • Synonyms

    • 23747-34-4
    • 1-(3-Methyl-2-furyl)propan-1-one
    • 1-(3-methylfuran-2-yl)propan-1-one
    • 1-Propanone,1-(3-methyl-2-furanyl)-
    • EINECS 245-861-5
    • 2-propionyl-3-methyl furan
    • DTXSID40178419
    • SCHEMBL6849922
    • DTXCID20100910
    • VMZSEQYQURLQCV-UHFFFAOYSA-N
    • YAA74734
    • AKOS026736769
    • NS00021901
    • EN300-1233918
    • 245-861-5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2574.63
    methanol 4215.77
    isopropanol 1793.37
    water 80.39
    ethyl acetate 2618.32
    n-propanol 2119.25
    acetone 4709.18
    n-butanol 1725.17
    acetonitrile 5224.61
    DMF 4918.49
    toluene 1108.28
    isobutanol 1588.53
    1,4-dioxane 4372.02
    methyl acetate 2912.58
    THF 4020.75
    2-butanone 2654.34
    n-pentanol 1297.54
    sec-butanol 1604.84
    n-hexane 323.9
    ethylene glycol 982.71
    NMP 3138.88
    cyclohexane 414.59
    DMSO 3701.86
    n-butyl acetate 1370.54
    n-octanol 900.66
    chloroform 7034.15
    n-propyl acetate 1819.54
    acetic acid 3033.05
    dichloromethane 8229.21
    cyclohexanone 3194.16
    propylene glycol 780.27
    isopropyl acetate 1350.22
    DMAc 2450.31
    2-ethoxyethanol 2336.61
    isopentanol 1271.96
    n-heptane 162.83
    ethyl formate 2196.64
    1,2-dichloroethane 4674.51
    n-hexanol 914.67
    2-methoxyethanol 3397.48
    isobutyl acetate 952.72
    tetrachloromethane 1425.17
    n-pentyl acetate 1051.86
    transcutol 3531.04
    n-heptanol 636.3
    ethylbenzene 787.9
    MIBK 1216.25
    2-propoxyethanol 1746.46
    tert-butanol 1838.56
    MTBE 1622.23
    2-butoxyethanol 1149.58
    propionic acid 2029.62
    o-xylene 734.36
    formic acid 1485.04
    diethyl ether 2270.5
    m-xylene 813.02
    p-xylene 1097.79
    chlorobenzene 2246.72
    dimethyl carbonate 1253.5
    n-octane 121.39
    formamide 2413.97
    cyclopentanone 3928.59
    2-pentanone 2169.22
    anisole 1681.67
    cyclopentyl methyl ether 1880.18
    gamma-butyrolactone 4898.37
    1-methoxy-2-propanol 2085.71
    pyridine 3265.17
    3-pentanone 1713.29
    furfural 3634.97
    n-dodecane 112.72
    diethylene glycol 1514.19
    diisopropyl ether 677.48
    tert-amyl alcohol 1475.73
    acetylacetone 2430.06
    n-hexadecane 131.44
    acetophenone 1453.51
    methyl propionate 2165.5
    isopentyl acetate 1031.39
    trichloroethylene 8075.7
    n-nonanol 690.33
    cyclohexanol 1322.77
    benzyl alcohol 1222.02
    2-ethylhexanol 573.45
    isooctanol 542.58
    dipropyl ether 758.09
    1,2-dichlorobenzene 2000.87
    ethyl lactate 748.84
    propylene carbonate 2196.45
    n-methylformamide 3524.93
    2-pentanol 1126.2
    n-pentane 301.97
    1-propoxy-2-propanol 1047.86
    1-methoxy-2-propyl acetate 974.07
    2-(2-methoxypropoxy) propanol 775.82
    mesitylene 615.92
    ε-caprolactone 2478.55
    p-cymene 366.44
    epichlorohydrin 5025.28
    1,1,1-trichloroethane 3768.27
    2-aminoethanol 1379.2
    morpholine-4-carbaldehyde 3411.72
    sulfolane 4315.92
    2,2,4-trimethylpentane 187.0
    2-methyltetrahydrofuran 2877.48
    n-hexyl acetate 1579.47
    isooctane 150.14
    2-(2-butoxyethoxy)ethanol 1236.29
    sec-butyl acetate 988.07
    tert-butyl acetate 1363.05
    decalin 241.74
    glycerin 1107.29
    diglyme 2509.07
    acrylic acid 2025.16
    isopropyl myristate 526.36
    n-butyric acid 2156.33
    acetyl acetate 1500.82
    di(2-ethylhexyl) phthalate 400.31
    ethyl propionate 1519.55
    nitromethane 6399.83
    1,2-diethoxyethane 1400.22
    benzonitrile 2118.72
    trioctyl phosphate 363.83
    1-bromopropane 2136.29
    gamma-valerolactone 4271.56
    n-decanol 491.99
    triethyl phosphate 439.14
    4-methyl-2-pentanol 621.1
    propionitrile 3048.25
    vinylene carbonate 2455.96
    1,1,2-trichlorotrifluoroethane 2571.52
    DMS 1295.17
    cumene 544.71
    2-octanol 593.34
    2-hexanone 1498.52
    octyl acetate 705.47
    limonene 481.33
    1,2-dimethoxyethane 3307.0
    ethyl orthosilicate 410.48
    tributyl phosphate 460.95
    diacetone alcohol 1257.19
    N,N-dimethylaniline 977.83
    acrylonitrile 4114.18
    aniline 1386.48
    1,3-propanediol 1830.0
    bromobenzene 2470.53
    dibromomethane 4681.69
    1,1,2,2-tetrachloroethane 4898.46
    2-methyl-cyclohexyl acetate 641.85
    tetrabutyl urea 571.13
    diisobutyl methanol 351.15
    2-phenylethanol 851.05
    styrene 1103.81
    dioctyl adipate 641.37
    dimethyl sulfate 1721.28
    ethyl butyrate 1006.65
    methyl lactate 922.21
    butyl lactate 692.19
    diethyl carbonate 719.01
    propanediol butyl ether 1085.76
    triethyl orthoformate 599.67
    p-tert-butyltoluene 351.46
    methyl 4-tert-butylbenzoate 936.27
    morpholine 3849.37
    tert-butylamine 1246.71
    n-dodecanol 371.35
    dimethoxymethane 2908.54
    ethylene carbonate 2042.6
    cyrene 796.12
    2-ethoxyethyl acetate 1214.08
    2-ethylhexyl acetate 810.9
    1,2,4-trichlorobenzene 2129.42
    4-methylpyridine 3034.91
    dibutyl ether 897.85
    2,6-dimethyl-4-heptanol 351.15
    DEF 2376.95
    dimethyl isosorbide 1244.6
    tetrachloroethylene 3798.6
    eugenol 968.39
    triacetin 1124.98
    span 80 681.67
    1,4-butanediol 974.0
    1,1-dichloroethane 4284.89
    2-methyl-1-pentanol 1033.83
    methyl formate 3301.59
    2-methyl-1-butanol 1311.71
    n-decane 182.06
    butyronitrile 2704.92
    3,7-dimethyl-1-octanol 646.54
    1-chlorooctane 693.95
    1-chlorotetradecane 276.37
    n-nonane 189.69
    undecane 139.42
    tert-butylcyclohexane 240.94
    cyclooctane 167.9
    cyclopentanol 1598.77
    tetrahydropyran 2894.39
    tert-amyl methyl ether 1108.45
    2,5,8-trioxanonane 1375.46
    1-hexene 931.37
    2-isopropoxyethanol 1419.13
    2,2,2-trifluoroethanol 1233.67
    methyl butyrate 2082.81

    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