4-((2-Methyl-3-furyl)thio)-5-nonanone

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  • Identifiers

    CAS number
    61295-50-9

    Molecular formula
    C14H22O2S

    SMILES
    CCCCC(=O)C(CCC)SC1=C(OC=C1)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Meaty 72.04%
    Roasted 70.68%
    Savory 39.22%
    Grapefruit 36.16%
    Cooked 33.36%
    Citrus 31.93%
    Beefy 27.77%
    Nutty 27.28%
    Burnt 27.2%
    Spicy 24.81%

     

    Flavor
    Roasted 37.19%
    Sulfury 32.6%
    Green 30.05%
    Meaty 28.8%
    Cooked 24.29%
    Burnt 23.97%
    Earthy 23.85%
    Sulfurous 23.3%
    Metallic 22.99%
    Herbal 22.45%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    7.4 (neutral)

    Molecular weight
    254.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 102.00 to 103.00 °C. @ 0.25 mm Hg

    Flash point

    • 139.83 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in fat
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 61295-50-9
    • 4-((2-Methyl-3-furyl)thio)-5-nonanone
    • FEMA No. 3571
    • 4-(2-Methyl-3-furylthio)-5-nonanone
    • 4-(2-methylfuran-3-yl)sulfanylnonan-5-one
    • DQZ4Y02VLM
    • 4-[(2-Methyl-3-furanyl)thio]-5-nonanone
    • 1,3-Dipropylacetonyl 2-methyl-3-furyl sulfide
    • 4-((2-Methyl-3-furyl)thio)nonan-5-one
    • 5-Nonanone, 4-((2-methyl-3-furanyl)thio)-
    • EINECS 262-691-7
    • 4-[(2-Methyl-3-furyl)sulfanyl]nonan-5-one
    • 5-Nonanone, 4-[(2-methyl-3-furanyl)thio]-
    • 4-[(2-METHYLFURAN-3-YL)SULFANYL]NONAN-5-ONE
    • 4-[(2-methyl-3-furyl)thio]nonan-5-one
    • 4-((2-Methyl-3-furanyl)thio)-5-Nonanone
    • 4-[(2-METHYL-3-FURYL)THIO]-5-NONANONE
    • 4-((2-METHYL-3-FURYL)THIO)-5-NONANONE [FHFI]
    • (+/-)-4-((2-METHYL-3-FURYL)THIO)-5-NONANONE
    • 4-((2-METHYL-3-FURYL)THIO)-5-NONANONE, (+/-)-
    • 4-((2-methylfuran-3-yl)sulfanyl)nonan-5-one
    • UNII-DQZ4Y02VLM
    • 5-Nonanone,4-[(2-methyl-3-furanyl)thio]-
    • SCHEMBL3506767
    • FEMA 3571
    • DTXSID60866846
    • CHEBI:168976
    • PEYZZTQOVLTVHN-UHFFFAOYSA-N
    • MFCD08741453
    • AKOS025396863
    • 4-(2-methyluran-3-yl)sulanylnonan-5-one
    • 4-((2-Methylfuran-3-yl)thio)nonan-5-one
    • 5-Nonanone, 4-(2-methyl-3-furanyl)thio-
    • CS-0366129
    • NS00052947
    • Q27276549

  • Applications

    4-((2-Methyl-3-furyl)thio)-5-nonanone (CAS 61295-50-9) is primarily used as a fragrance ingredient and aroma-chemical intermediate. In perfumery, it contributes woody, roasted, and nutty notes and is often used to build complex scent profiles; in cosmetics and personal care as well as in household products, it can function as an odorant to impart or stabilize fragrance. It may also serve as an intermediate in industrial manufacturing for the synthesis of other aroma compounds and can be incorporated into coatings and inks formulations to add or adjust fragrance on surfaces. Use is formulation-dependent and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3881.84
    methanol 4132.11
    isopropanol 2632.4
    water 0.32
    ethyl acetate 4914.44
    n-propanol 2767.47
    acetone 9982.88
    n-butanol 2472.57
    acetonitrile 4810.12
    DMF 11282.11
    toluene 3093.48
    isobutanol 2068.48
    1,4-dioxane 7500.15
    methyl acetate 4208.32
    THF 7496.29
    2-butanone 5961.3
    n-pentanol 1409.49
    sec-butanol 2051.45
    n-hexane 61.21
    ethylene glycol 394.87
    NMP 6814.94
    cyclohexane 446.7
    DMSO 6966.65
    n-butyl acetate 2231.39
    n-octanol 454.32
    chloroform 10212.11
    n-propyl acetate 2162.83
    acetic acid 2916.26
    dichloromethane 9810.57
    cyclohexanone 9926.03
    propylene glycol 753.0
    isopropyl acetate 2521.0
    DMAc 6790.85
    2-ethoxyethanol 2128.22
    isopentanol 1770.47
    n-heptane 39.84
    ethyl formate 2732.77
    1,2-dichloroethane 7087.77
    n-hexanol 1036.23
    2-methoxyethanol 4046.98
    isobutyl acetate 1277.47
    tetrachloromethane 1016.62
    n-pentyl acetate 1382.92
    transcutol 5843.53
    n-heptanol 421.51
    ethylbenzene 900.28
    MIBK 1733.49
    2-propoxyethanol 2023.89
    tert-butanol 2264.5
    MTBE 2693.87
    2-butoxyethanol 1014.08
    propionic acid 2128.26
    o-xylene 1118.2
    formic acid 632.02
    diethyl ether 3107.76
    m-xylene 1221.11
    p-xylene 1177.79
    chlorobenzene 4147.51
    dimethyl carbonate 1299.6
    n-octane 25.53
    formamide 1533.06
    cyclopentanone 8227.01
    2-pentanone 4323.86
    anisole 2086.56
    cyclopentyl methyl ether 3203.4
    gamma-butyrolactone 7120.49
    1-methoxy-2-propanol 2571.71
    pyridine 8841.37
    3-pentanone 2795.84
    furfural 5836.92
    n-dodecane 28.47
    diethylene glycol 1285.42
    diisopropyl ether 561.11
    tert-amyl alcohol 1634.79
    acetylacetone 4503.33
    n-hexadecane 36.31
    acetophenone 2035.44
    methyl propionate 3231.06
    isopentyl acetate 1796.87
    trichloroethylene 12923.64
    n-nonanol 407.93
    cyclohexanol 2993.01
    benzyl alcohol 1881.25
    2-ethylhexanol 562.49
    isooctanol 349.42
    dipropyl ether 686.53
    1,2-dichlorobenzene 2806.02
    ethyl lactate 627.34
    propylene carbonate 3517.53
    n-methylformamide 3926.39
    2-pentanol 1278.97
    n-pentane 73.99
    1-propoxy-2-propanol 1278.24
    1-methoxy-2-propyl acetate 1970.06
    2-(2-methoxypropoxy) propanol 906.73
    mesitylene 604.47
    ε-caprolactone 5669.33
    p-cymene 340.46
    epichlorohydrin 7933.63
    1,1,1-trichloroethane 5686.28
    2-aminoethanol 1076.29
    morpholine-4-carbaldehyde 6780.91
    sulfolane 6137.05
    2,2,4-trimethylpentane 61.73
    2-methyltetrahydrofuran 5593.06
    n-hexyl acetate 1648.38
    isooctane 44.69
    2-(2-butoxyethoxy)ethanol 1442.78
    sec-butyl acetate 1308.07
    tert-butyl acetate 2025.19
    decalin 136.84
    glycerin 906.87
    diglyme 3209.94
    acrylic acid 1767.44
    isopropyl myristate 482.12
    n-butyric acid 3518.41
    acetyl acetate 2344.62
    di(2-ethylhexyl) phthalate 493.3
    ethyl propionate 1597.23
    nitromethane 6687.29
    1,2-diethoxyethane 2119.19
    benzonitrile 2948.37
    trioctyl phosphate 320.12
    1-bromopropane 2883.72
    gamma-valerolactone 9910.45
    n-decanol 282.58
    triethyl phosphate 440.64
    4-methyl-2-pentanol 553.66
    propionitrile 3146.62
    vinylene carbonate 3577.05
    1,1,2-trichlorotrifluoroethane 3787.33
    DMS 1526.36
    cumene 401.9
    2-octanol 350.35
    2-hexanone 2002.99
    octyl acetate 645.14
    limonene 570.92
    1,2-dimethoxyethane 4107.28
    ethyl orthosilicate 425.87
    tributyl phosphate 445.07
    diacetone alcohol 1761.17
    N,N-dimethylaniline 974.87
    acrylonitrile 3939.4
    aniline 3188.07
    1,3-propanediol 1741.67
    bromobenzene 4497.45
    dibromomethane 5963.87
    1,1,2,2-tetrachloroethane 8864.43
    2-methyl-cyclohexyl acetate 865.92
    tetrabutyl urea 614.72
    diisobutyl methanol 301.74
    2-phenylethanol 1246.98
    styrene 1604.22
    dioctyl adipate 749.28
    dimethyl sulfate 1790.73
    ethyl butyrate 1177.65
    methyl lactate 956.49
    butyl lactate 888.53
    diethyl carbonate 782.48
    propanediol butyl ether 1009.0
    triethyl orthoformate 727.17
    p-tert-butyltoluene 309.63
    methyl 4-tert-butylbenzoate 997.29
    morpholine 9062.92
    tert-butylamine 1115.37
    n-dodecanol 210.03
    dimethoxymethane 3895.33
    ethylene carbonate 3114.15
    cyrene 1088.66
    2-ethoxyethyl acetate 2184.59
    2-ethylhexyl acetate 1358.51
    1,2,4-trichlorobenzene 3297.94
    4-methylpyridine 8375.78
    dibutyl ether 756.72
    2,6-dimethyl-4-heptanol 301.74
    DEF 5067.21
    dimethyl isosorbide 1675.2
    tetrachloroethylene 5063.93
    eugenol 991.86
    triacetin 1445.06
    span 80 866.1
    1,4-butanediol 704.73
    1,1-dichloroethane 6761.84
    2-methyl-1-pentanol 1157.19
    methyl formate 2815.37
    2-methyl-1-butanol 1783.16
    n-decane 49.61
    butyronitrile 3767.67
    3,7-dimethyl-1-octanol 458.66
    1-chlorooctane 387.87
    1-chlorotetradecane 137.48
    n-nonane 43.12
    undecane 35.66
    tert-butylcyclohexane 96.53
    cyclooctane 75.01
    cyclopentanol 2544.73
    tetrahydropyran 7765.91
    tert-amyl methyl ether 1480.5
    2,5,8-trioxanonane 1802.56
    1-hexene 540.45
    2-isopropoxyethanol 1289.01
    2,2,2-trifluoroethanol 804.13
    methyl butyrate 2716.83

    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