2-Pentanone, 5-hydroxy-4-methyl-1-(2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-

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  • Identifiers

    CAS number
    26767-96-4

    Molecular formula
    C15H22O4

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 28.84%
    Sweet 28.08%
    Floral 27.37%
    Fruity 27.25%
    Roasted 25.87%
    Nutty 22.98%
    Caramellic 21.36%
    Odorless 20.08%
    Mint 19.9%
    Creamy 18.75%

     

    Flavor
    Fruity 42.39%
    Bitter 27.39%
    Sweet 27.04%
    Earthy 25.45%
    Roasted 25.33%
    Tropical 22.48%
    Musty 21.63%
    Green 20.94%
    Berry 20.85%
    Spicy 20.44%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.52 (neutral)

    Molecular weight
    266.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    439°C

    Flash point

    • 163.48 ˚C est.

  • Synonyms

    • 26767-96-4
    • 2-Pentanone, 5-hydroxy-4-methyl-1-(2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)-
    • RefChem:1064097
    • Ipomeamaronol
    • 1-[5-(furan-3-yl)-2-methyloxolan-2-yl]-5-hydroxy-4-methylpentan-2-one
    • 2-Pentanone, 5-hydroxy-4-methyl-1-(2,3,4,5-tetrahydro-5-methyl-(2,3'-bifuran)-5-yl)-
    • 26767-97-5
    • Ipomeamarono
    • BRN 1583162
    • 1-(5-(3-Furyl)-2-methyl-tetrahydro-2-furyl)-5-hydroxy-4-methyl-2-pentanone
    • 2-Pentanone, 1-(5-(3-furyl)-2-methyl-tetrahydro-2-furyl)-5-hydroxy-4-methyl-
    • 2-Pentanone, 1-(5-(3-furyl)tetrahydro-2-methyl-2-furyl)-5-hydroxy-4-methyl-, stereoisomer
    • 5-19-05-00487 (Beilstein Handbook Reference)
    • DTXSID60949582
    • CHEBI:168579
    • LMFA05000668
    • 1-[5-(uran-3-yl)-2-methyloxolan-2-yl]-5-hydroxy-4-methylpentan-2-one
    • 26767-96-4

  • Applications

    2-Pentanone, 5-hydroxy-4-methyl-1-(2,3,4,5-tetrahydro-5-methyl(2,3'-bifuran)-5-yl)- (CAS 26767-96-4) is primarily used as an intermediate in organic synthesis, providing a versatile building block for pharmaceutical and agrochemical research. It may serve as a specialty solvent or processing aid in various stages of industrial manufacturing. The compound can be evaluated for fragrance and flavor chemistry as a fragrance intermediate or odor precursor, and may find applications in cosmetics/personal care as a synthetic fragrance component. In coatings and inks, it can act as a reactive intermediate or solvent adjunct, while in cleaning formulations it may be employed as a solvent or formulation aid, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 645.87
    methanol 1542.48
    isopropanol 458.9
    water 10.95
    ethyl acetate 191.65
    n-propanol 426.18
    acetone 416.26
    n-butanol 330.5
    acetonitrile 220.82
    DMF 559.58
    toluene 74.24
    isobutanol 278.02
    1,4-dioxane 473.41
    methyl acetate 206.4
    THF 581.91
    2-butanone 247.08
    n-pentanol 215.86
    sec-butanol 226.34
    n-hexane 1.34
    ethylene glycol 254.38
    NMP 277.23
    cyclohexane 6.04
    DMSO 653.6
    n-butyl acetate 101.57
    n-octanol 85.72
    chloroform 673.19
    n-propyl acetate 124.71
    acetic acid 612.03
    dichloromethane 487.58
    cyclohexanone 289.9
    propylene glycol 401.69
    isopropyl acetate 133.15
    DMAc 591.15
    2-ethoxyethanol 495.67
    isopentanol 260.81
    n-heptane 1.67
    ethyl formate 198.1
    1,2-dichloroethane 227.38
    n-hexanol 144.47
    2-methoxyethanol 869.25
    isobutyl acetate 116.33
    tetrachloromethane 35.37
    n-pentyl acetate 69.93
    transcutol 934.77
    n-heptanol 72.42
    ethylbenzene 32.6
    MIBK 141.33
    2-propoxyethanol 375.59
    tert-butanol 417.8
    MTBE 124.83
    2-butoxyethanol 195.04
    propionic acid 276.72
    o-xylene 47.04
    formic acid 472.94
    diethyl ether 101.08
    m-xylene 58.56
    p-xylene 50.45
    chlorobenzene 113.18
    dimethyl carbonate 104.29
    n-octane 1.32
    formamide 411.16
    cyclopentanone 297.41
    2-pentanone 174.32
    anisole 121.77
    cyclopentyl methyl ether 144.88
    gamma-butyrolactone 331.09
    1-methoxy-2-propanol 559.78
    pyridine 238.5
    3-pentanone 111.37
    furfural 372.06
    n-dodecane 2.51
    diethylene glycol 447.51
    diisopropyl ether 25.35
    tert-amyl alcohol 190.68
    acetylacetone 240.24
    n-hexadecane 2.88
    acetophenone 141.07
    methyl propionate 155.37
    isopentyl acetate 111.13
    trichloroethylene 532.49
    n-nonanol 76.71
    cyclohexanol 185.95
    benzyl alcohol 183.24
    2-ethylhexanol 60.91
    isooctanol 59.51
    dipropyl ether 37.19
    1,2-dichlorobenzene 105.05
    ethyl lactate 116.43
    propylene carbonate 224.23
    n-methylformamide 334.34
    2-pentanol 140.56
    n-pentane 1.71
    1-propoxy-2-propanol 197.62
    1-methoxy-2-propyl acetate 164.15
    2-(2-methoxypropoxy) propanol 196.6
    mesitylene 32.58
    ε-caprolactone 230.05
    p-cymene 25.7
    epichlorohydrin 410.21
    1,1,1-trichloroethane 170.06
    2-aminoethanol 483.55
    morpholine-4-carbaldehyde 424.74
    sulfolane 308.13
    2,2,4-trimethylpentane 3.23
    2-methyltetrahydrofuran 245.72
    n-hexyl acetate 115.6
    isooctane 2.82
    2-(2-butoxyethoxy)ethanol 287.65
    sec-butyl acetate 86.51
    tert-butyl acetate 125.51
    decalin 4.31
    glycerin 463.43
    diglyme 457.58
    acrylic acid 261.75
    isopropyl myristate 48.49
    n-butyric acid 356.78
    acetyl acetate 140.11
    di(2-ethylhexyl) phthalate 70.7
    ethyl propionate 91.21
    nitromethane 593.63
    1,2-diethoxyethane 139.14
    benzonitrile 161.94
    trioctyl phosphate 45.88
    1-bromopropane 88.73
    gamma-valerolactone 448.92
    n-decanol 54.76
    triethyl phosphate 48.82
    4-methyl-2-pentanol 93.3
    propionitrile 176.6
    vinylene carbonate 227.52
    1,1,2-trichlorotrifluoroethane 427.46
    DMS 106.59
    cumene 26.88
    2-octanol 45.38
    2-hexanone 125.11
    octyl acetate 63.58
    limonene 32.01
    1,2-dimethoxyethane 475.43
    ethyl orthosilicate 46.23
    tributyl phosphate 55.49
    diacetone alcohol 213.68
    N,N-dimethylaniline 81.22
    acrylonitrile 226.32
    aniline 151.08
    1,3-propanediol 558.98
    bromobenzene 95.94
    dibromomethane 233.2
    1,1,2,2-tetrachloroethane 388.12
    2-methyl-cyclohexyl acetate 84.58
    tetrabutyl urea 71.8
    diisobutyl methanol 35.64
    2-phenylethanol 133.48
    styrene 41.32
    dioctyl adipate 78.76
    dimethyl sulfate 151.9
    ethyl butyrate 73.78
    methyl lactate 174.75
    butyl lactate 98.0
    diethyl carbonate 62.85
    propanediol butyl ether 241.25
    triethyl orthoformate 62.61
    p-tert-butyltoluene 23.71
    methyl 4-tert-butylbenzoate 117.13
    morpholine 571.68
    tert-butylamine 138.48
    n-dodecanol 38.85
    dimethoxymethane 360.91
    ethylene carbonate 196.3
    cyrene 183.72
    2-ethoxyethyl acetate 128.34
    2-ethylhexyl acetate 76.72
    1,2,4-trichlorobenzene 135.86
    4-methylpyridine 217.05
    dibutyl ether 47.24
    2,6-dimethyl-4-heptanol 35.64
    DEF 174.05
    dimethyl isosorbide 221.33
    tetrachloroethylene 206.46
    eugenol 135.93
    triacetin 148.98
    span 80 150.12
    1,4-butanediol 270.95
    1,1-dichloroethane 243.9
    2-methyl-1-pentanol 161.73
    methyl formate 263.45
    2-methyl-1-butanol 198.06
    n-decane 3.94
    butyronitrile 191.09
    3,7-dimethyl-1-octanol 77.81
    1-chlorooctane 26.98
    1-chlorotetradecane 10.94
    n-nonane 2.99
    undecane 3.07
    tert-butylcyclohexane 4.07
    cyclooctane 2.08
    cyclopentanol 208.43
    tetrahydropyran 269.85
    tert-amyl methyl ether 79.43
    2,5,8-trioxanonane 311.59
    1-hexene 12.43
    2-isopropoxyethanol 273.71
    2,2,2-trifluoroethanol 232.05
    methyl butyrate 137.13

    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