1-(5-(Furan-3-yl)-2-methyloxolan-2-yl)-4-methylpentan-2-one

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  • Identifiers

    CAS number
    11033-12-8

    Molecular formula
    C15H22O3

    SMILES
    CC(C)CC(=O)CC1(CCC(O1)C2=COC=C2)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 45.46%
    Woody 39.61%
    Floral 39.34%
    Herbal 36.94%
    Mint 36.27%
    Sweet 35.48%
    Green 25.13%
    Fresh 25.04%
    Tobacco 23.69%
    Berry 22.89%

     

    Flavor
    Green 56.66%
    Fruity 40.6%
    Earthy 32.54%
    Herbal 32.32%
    Minty 30.59%
    Tropical 30.01%
    Metallic 25.79%
    Spice 22.02%
    Roasted 21.44%
    Pepper 21.43%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.74 (neutral)

    Molecular weight
    250.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    342°C

    Flash point

    • 130.63 ˚C est.

  • Synonyms

    • DTXSID90911590
    • 1-[5-(furan-3-yl)-2-methyloxolan-2-yl]-4-methylpentan-2-one
    • 11033-12-8
    • 1-(5-(Furan-3-yl)-2-methyloxolan-2-yl)-4-methylpentan-2-one
    • RefChem:1054494
    • DTXCID201340623
    • Ngaione
    • BOHLMANN 176
    • 20007-82-3
    • (+)-Ipomeamarone
    • NSC 317536
    • 2-Pentanone, 1-[5-(3-furyl)tetrahydro-2-methyl-2-furyl]-4-methyl-
    • Ipomeamarone, (+)-
    • Ngaione, (+)-
    • 2-Pentanone, 4-methyl-1-(2,3,4,5-tetrahydro-5-methyl[2,3'-bifuran]-5-yl)-
    • NSC 256944
    • Ipomeamorone
    • 2-Pentanone, 1-(5-(3-furyl)tetrahydro-2-methyl-2-furyl)-4-methyl-
    • 2-Pentanone, 4-methyl-1-(2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-
    • UNII-YMF39VPK7M
    • (2S,5R)-(+)-1-(5-(3-Furyl)tetrahydro-2-methyl-2-furyl)-4-methyl-2-pentanone
    • 2-Pentanone, 1-(5-(3-furyl)tetrahydro-2-methyl-2-furyl)-4-methyl-, (2S,5R)-(+)-
    • MEGxp0_001581
    • ACon0_000473
    • ACon1_002142
    • EX-A8014M
    • WOFDWNOSFDVCDF-UHFFFAOYSA-N
    • GLXC-23887
    • NSC256944
    • NSC317536
    • NSC-317536
    • 2-Pentanone, 4-methyl-1-(2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-, (2R-cis)-
    • NCGC00179789-01
    • 2-Pentanone,3,4,5-tetrahydro-5-methyl[2,3'-bifuran]-5-yl)-
    • 1-[5-(3-Furyl)-2-methyltetrahydro-2-furanyl]-4-methyl-2-pentanone #
    • 20007-82-3

  • Applications

    Primarily, 1-(5-(Furan-3-yl)-2-methyloxolan-2-yl)-4-methylpentan-2-one is used as a fragrance intermediate and aroma-building block in the fragrance industry, contributing fruity and green notes from the furan moiety and the tetrahydrofuran framework. It is commonly evaluated for use in cosmetics and personal care products as a fragrance ingredient or note modifier. In household products and cleaning formulations, it can serve as a scent additive to impart a lingering aroma. In industrial manufacturing, it functions as an intermediate for the synthesis of more complex aroma compounds and specialty chemicals. It may also be explored as a chiral building block for polymers, coatings, or inks that incorporate fragrance functionalities, where it can be integrated into scent-containing formulations. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 638.84
    methanol 1006.69
    isopropanol 477.33
    water 3.56
    ethyl acetate 379.92
    n-propanol 446.95
    acetone 536.81
    n-butanol 406.8
    acetonitrile 340.74
    DMF 511.36
    toluene 264.83
    isobutanol 360.28
    1,4-dioxane 789.68
    methyl acetate 352.4
    THF 1040.37
    2-butanone 403.75
    n-pentanol 276.48
    sec-butanol 328.42
    n-hexane 11.98
    ethylene glycol 181.06
    NMP 500.88
    cyclohexane 47.57
    DMSO 487.42
    n-butyl acetate 238.6
    n-octanol 194.05
    chloroform 1736.94
    n-propyl acetate 226.09
    acetic acid 665.18
    dichloromethane 1164.58
    cyclohexanone 608.82
    propylene glycol 338.2
    isopropyl acetate 277.14
    DMAc 605.61
    2-ethoxyethanol 384.17
    isopentanol 342.02
    n-heptane 11.01
    ethyl formate 288.74
    1,2-dichloroethane 537.7
    n-hexanol 293.34
    2-methoxyethanol 693.88
    isobutyl acetate 211.55
    tetrachloromethane 127.77
    n-pentyl acetate 185.78
    transcutol 1408.46
    n-heptanol 140.68
    ethylbenzene 116.26
    MIBK 240.93
    2-propoxyethanol 518.0
    tert-butanol 476.58
    MTBE 270.61
    2-butoxyethanol 286.64
    propionic acid 417.14
    o-xylene 148.13
    formic acid 277.46
    diethyl ether 237.08
    m-xylene 187.52
    p-xylene 176.49
    chlorobenzene 394.06
    dimethyl carbonate 173.81
    n-octane 7.52
    formamide 251.8
    cyclopentanone 593.64
    2-pentanone 301.22
    anisole 270.14
    cyclopentyl methyl ether 372.33
    gamma-butyrolactone 667.66
    1-methoxy-2-propanol 546.65
    pyridine 560.74
    3-pentanone 225.3
    furfural 631.22
    n-dodecane 11.84
    diethylene glycol 459.31
    diisopropyl ether 80.47
    tert-amyl alcohol 292.74
    acetylacetone 398.56
    n-hexadecane 13.64
    acetophenone 263.96
    methyl propionate 287.47
    isopentyl acetate 253.54
    trichloroethylene 1152.58
    n-nonanol 170.36
    cyclohexanol 407.66
    benzyl alcohol 300.29
    2-ethylhexanol 147.03
    isooctanol 118.45
    dipropyl ether 113.22
    1,2-dichlorobenzene 337.3
    ethyl lactate 162.98
    propylene carbonate 460.83
    n-methylformamide 305.84
    2-pentanol 229.09
    n-pentane 14.54
    1-propoxy-2-propanol 325.05
    1-methoxy-2-propyl acetate 316.21
    2-(2-methoxypropoxy) propanol 322.73
    mesitylene 107.91
    ε-caprolactone 515.46
    p-cymene 78.81
    epichlorohydrin 788.6
    1,1,1-trichloroethane 539.77
    2-aminoethanol 345.57
    morpholine-4-carbaldehyde 614.2
    sulfolane 563.14
    2,2,4-trimethylpentane 16.66
    2-methyltetrahydrofuran 588.22
    n-hexyl acetate 317.35
    isooctane 12.73
    2-(2-butoxyethoxy)ethanol 458.42
    sec-butyl acetate 171.43
    tert-butyl acetate 259.97
    decalin 25.03
    glycerin 387.99
    diglyme 662.82
    acrylic acid 344.67
    isopropyl myristate 128.33
    n-butyric acid 533.52
    acetyl acetate 313.2
    di(2-ethylhexyl) phthalate 154.56
    ethyl propionate 180.46
    nitromethane 671.11
    1,2-diethoxyethane 296.28
    benzonitrile 368.79
    trioctyl phosphate 102.55
    1-bromopropane 276.24
    gamma-valerolactone 777.75
    n-decanol 121.45
    triethyl phosphate 103.21
    4-methyl-2-pentanol 156.23
    propionitrile 285.32
    vinylene carbonate 460.61
    1,1,2-trichlorotrifluoroethane 612.34
    DMS 257.36
    cumene 86.09
    2-octanol 105.74
    2-hexanone 227.86
    octyl acetate 168.82
    limonene 106.98
    1,2-dimethoxyethane 532.38
    ethyl orthosilicate 102.08
    tributyl phosphate 123.55
    diacetone alcohol 322.86
    N,N-dimethylaniline 174.65
    acrylonitrile 326.55
    aniline 338.01
    1,3-propanediol 460.0
    bromobenzene 389.36
    dibromomethane 688.64
    1,1,2,2-tetrachloroethane 901.26
    2-methyl-cyclohexyl acetate 182.64
    tetrabutyl urea 155.32
    diisobutyl methanol 84.36
    2-phenylethanol 273.59
    styrene 145.39
    dioctyl adipate 188.18
    dimethyl sulfate 216.34
    ethyl butyrate 168.16
    methyl lactate 232.28
    butyl lactate 198.63
    diethyl carbonate 137.4
    propanediol butyl ether 386.06
    triethyl orthoformate 140.97
    p-tert-butyltoluene 75.04
    methyl 4-tert-butylbenzoate 239.42
    morpholine 854.99
    tert-butylamine 238.11
    n-dodecanol 92.43
    dimethoxymethane 407.14
    ethylene carbonate 389.32
    cyrene 290.49
    2-ethoxyethyl acetate 281.75
    2-ethylhexyl acetate 186.57
    1,2,4-trichlorobenzene 394.59
    4-methylpyridine 519.64
    dibutyl ether 145.73
    2,6-dimethyl-4-heptanol 84.36
    DEF 275.96
    dimethyl isosorbide 418.71
    tetrachloroethylene 513.68
    eugenol 245.53
    triacetin 327.51
    span 80 292.26
    1,4-butanediol 213.02
    1,1-dichloroethane 637.7
    2-methyl-1-pentanol 250.43
    methyl formate 293.38
    2-methyl-1-butanol 298.08
    n-decane 18.38
    butyronitrile 320.51
    3,7-dimethyl-1-octanol 174.57
    1-chlorooctane 103.5
    1-chlorotetradecane 44.77
    n-nonane 15.4
    undecane 14.18
    tert-butylcyclohexane 23.69
    cyclooctane 13.82
    cyclopentanol 380.82
    tetrahydropyran 649.56
    tert-amyl methyl ether 176.0
    2,5,8-trioxanonane 491.24
    1-hexene 70.82
    2-isopropoxyethanol 291.22
    2,2,2-trifluoroethanol 247.67
    methyl butyrate 237.61

    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