2(3H)-Furanone, dihydro-5-(butylthio)-5-pentyl-

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  • Identifiers

    CAS number
    120388-37-6

    Molecular formula
    C13H24O2S

    SMILES
    CCCCCC1(CCC(=O)O1)SCCCC

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  • Odor profile

    Fragrance
    Fruity 59.28%
    Tropical 56.81%
    Sulfurous 45.19%
    Herbal 39.7%
    Peach 39.02%
    Green 37.89%
    Meaty 37.33%
    Roasted 33.64%
    Black currant 32.69%
    Fatty 32.32%

     

    Flavor
    Green 56.69%
    Tropical 42.81%
    Fatty 39.53%
    Fruity 39.32%
    Metallic 34.6%
    Creamy 31.0%
    Oily 30.89%
    Vegetable 30.29%
    Waxy 29.8%
    Sulfury 27.86%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    7.78 (neutral)

    Molecular weight
    244.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    345°C

    Flash point

    • 143.58 ˚C est.

  • Synonyms

    • 120388-37-6
    • 2(3H)-Furanone, dihydro-5-(butylthio)-5-pentyl-
    • RefChem:1058754
    • 5-Amyl-5-butylthiotetrahydrofuran-2-one
    • BRN 3543391
    • Dihydro-5-(butylthio)-5-pentyl-2(3H)-furanone
    • 5-butylsulfanyl-5-pentyl-dihydro-furan-2-one
    • DTXSID10923372
    • 5-(BUTYLSULFANYL)-5-PENTYLOXOLAN-2-ONE
    • 120388-37-6

  • Applications

    2(3H)-Furanone, dihydro-5-(butylthio)-5-pentyl- (CAS 120388-37-6) is used primarily as a fragrance-related chemical and as an intermediate in organic synthesis. In perfumery it may act as an odorant and potential fixative; in cosmetics and personal care it can be used as a fragrance ingredient or scent modifier; in household products it serves as a fragrance component to impart and stabilize aroma. In industrial manufacturing it is employed as a building block for synthesizing other fragrance- and flavor-related compounds; and it may be evaluated for use as a flavor/aroma precursor in food-related applications where permitted by local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13667.1
    methanol 12114.24
    isopropanol 11970.17
    water 0.43
    ethyl acetate 15689.06
    n-propanol 11355.79
    acetone 24045.19
    n-butanol 9253.98
    acetonitrile 11180.87
    DMF 21968.91
    toluene 6188.55
    isobutanol 8335.13
    1,4-dioxane 16611.06
    methyl acetate 9999.05
    THF 20575.78
    2-butanone 14836.09
    n-pentanol 5757.04
    sec-butanol 8785.18
    n-hexane 509.38
    ethylene glycol 959.15
    NMP 12734.29
    cyclohexane 1815.5
    DMSO 14345.63
    n-butyl acetate 9887.28
    n-octanol 2012.42
    chloroform 19484.53
    n-propyl acetate 9073.1
    acetic acid 7522.03
    dichloromethane 18069.55
    cyclohexanone 22798.38
    propylene glycol 1844.7
    isopropyl acetate 11026.2
    DMAc 12534.9
    2-ethoxyethanol 6173.73
    isopentanol 7670.78
    n-heptane 253.94
    ethyl formate 7613.12
    1,2-dichloroethane 13360.56
    n-hexanol 4837.75
    2-methoxyethanol 10149.61
    isobutyl acetate 5364.37
    tetrachloromethane 2376.59
    n-pentyl acetate 6262.27
    transcutol 16326.69
    n-heptanol 1860.19
    ethylbenzene 2155.18
    MIBK 7324.15
    2-propoxyethanol 7524.72
    tert-butanol 10386.74
    MTBE 12266.07
    2-butoxyethanol 3762.41
    propionic acid 6179.22
    o-xylene 2449.32
    formic acid 1565.46
    diethyl ether 12226.1
    m-xylene 3004.05
    p-xylene 2972.83
    chlorobenzene 8327.15
    dimethyl carbonate 3289.4
    n-octane 132.73
    formamide 3270.66
    cyclopentanone 18363.96
    2-pentanone 15054.89
    anisole 4767.98
    cyclopentyl methyl ether 10359.06
    gamma-butyrolactone 16275.63
    1-methoxy-2-propanol 8273.9
    pyridine 16803.84
    3-pentanone 8099.86
    furfural 11374.8
    n-dodecane 123.59
    diethylene glycol 3505.36
    diisopropyl ether 3124.33
    tert-amyl alcohol 7105.05
    acetylacetone 12947.58
    n-hexadecane 154.6
    acetophenone 4638.81
    methyl propionate 8938.36
    isopentyl acetate 8141.36
    trichloroethylene 21289.98
    n-nonanol 1652.49
    cyclohexanol 8940.44
    benzyl alcohol 3834.32
    2-ethylhexanol 2491.01
    isooctanol 1518.41
    dipropyl ether 3189.5
    1,2-dichlorobenzene 5622.89
    ethyl lactate 1906.7
    propylene carbonate 9425.31
    n-methylformamide 8818.18
    2-pentanol 6383.06
    n-pentane 536.97
    1-propoxy-2-propanol 4986.19
    1-methoxy-2-propyl acetate 6944.75
    2-(2-methoxypropoxy) propanol 2553.76
    mesitylene 1738.99
    ε-caprolactone 16467.11
    p-cymene 983.84
    epichlorohydrin 16400.95
    1,1,1-trichloroethane 12288.12
    2-aminoethanol 3085.01
    morpholine-4-carbaldehyde 13712.71
    sulfolane 13306.28
    2,2,4-trimethylpentane 274.44
    2-methyltetrahydrofuran 16138.51
    n-hexyl acetate 7220.84
    isooctane 255.14
    2-(2-butoxyethoxy)ethanol 4310.12
    sec-butyl acetate 6002.66
    tert-butyl acetate 8900.64
    decalin 548.83
    glycerin 1926.34
    diglyme 8751.51
    acrylic acid 4011.77
    isopropyl myristate 1748.85
    n-butyric acid 12072.22
    acetyl acetate 7366.82
    di(2-ethylhexyl) phthalate 1356.48
    ethyl propionate 6131.15
    nitromethane 14555.68
    1,2-diethoxyethane 7497.87
    benzonitrile 7064.22
    trioctyl phosphate 1032.74
    1-bromopropane 8193.42
    gamma-valerolactone 21971.88
    n-decanol 1054.22
    triethyl phosphate 1255.67
    4-methyl-2-pentanol 2849.49
    propionitrile 8911.78
    vinylene carbonate 8530.35
    1,1,2-trichlorotrifluoroethane 7923.01
    DMS 4263.82
    cumene 1157.63
    2-octanol 1655.05
    2-hexanone 8132.06
    octyl acetate 2295.75
    limonene 1871.09
    1,2-dimethoxyethane 12063.45
    ethyl orthosilicate 1285.69
    tributyl phosphate 1484.03
    diacetone alcohol 6098.66
    N,N-dimethylaniline 2492.03
    acrylonitrile 8657.43
    aniline 6334.91
    1,3-propanediol 5038.27
    bromobenzene 9378.6
    dibromomethane 12358.83
    1,1,2,2-tetrachloroethane 16304.06
    2-methyl-cyclohexyl acetate 2948.76
    tetrabutyl urea 1969.87
    diisobutyl methanol 1211.02
    2-phenylethanol 3577.52
    styrene 3559.6
    dioctyl adipate 2269.93
    dimethyl sulfate 4060.23
    ethyl butyrate 4679.46
    methyl lactate 2647.42
    butyl lactate 3181.18
    diethyl carbonate 2518.49
    propanediol butyl ether 3301.89
    triethyl orthoformate 2631.99
    p-tert-butyltoluene 948.6
    methyl 4-tert-butylbenzoate 2718.8
    morpholine 20801.13
    tert-butylamine 5770.31
    n-dodecanol 748.12
    dimethoxymethane 10436.56
    ethylene carbonate 8610.69
    cyrene 2322.15
    2-ethoxyethyl acetate 7248.16
    2-ethylhexyl acetate 5968.05
    1,2,4-trichlorobenzene 6703.77
    4-methylpyridine 17704.91
    dibutyl ether 3402.32
    2,6-dimethyl-4-heptanol 1211.02
    DEF 14476.16
    dimethyl isosorbide 4581.18
    tetrachloroethylene 9485.97
    eugenol 2500.13
    triacetin 4390.3
    span 80 2578.79
    1,4-butanediol 1958.9
    1,1-dichloroethane 15406.01
    2-methyl-1-pentanol 4355.32
    methyl formate 5734.33
    2-methyl-1-butanol 6630.23
    n-decane 230.35
    butyronitrile 12762.4
    3,7-dimethyl-1-octanol 1915.94
    1-chlorooctane 1499.45
    1-chlorotetradecane 497.68
    n-nonane 215.49
    undecane 160.8
    tert-butylcyclohexane 422.4
    cyclooctane 388.79
    cyclopentanol 8347.24
    tetrahydropyran 21891.46
    tert-amyl methyl ether 6006.72
    2,5,8-trioxanonane 4468.36
    1-hexene 3128.22
    2-isopropoxyethanol 4377.14
    2,2,2-trifluoroethanol 1921.86
    methyl butyrate 10029.79

    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