48ER97K3ZJ

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1658479-63-0

    Molecular formula
    C12H22O2S

    SMILES
    CC(C)C1CCC(S1)(C)CCOC(=O)C

  • Odor profile

    Fragrance
    Tropical 61.44%
    Sulfurous 52.25%
    Fruity 48.96%
    Black currant 41.83%
    Grapefruit 37.95%
    Herbal 37.14%
    Green 34.68%
    Peach 32.05%
    Spicy 31.6%
    Mint 31.24%

     

    Flavor
    Tropical 59.01%
    Green 51.44%
    Fruity 51.37%
    Herbal 42.65%
    Minty 39.9%
    Floral 35.74%
    Fruit 32.14%
    Sweet 31.44%
    Woody 29.64%
    Mint 28.27%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.48 (neutral)

    Molecular weight
    230.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    286°C

    Flash point

    • 126.02 ˚C est.

  • Synonyms

    • Fema No. 4824
    • 48ER97K3ZJ
    • UNII-48ER97K3ZJ
    • 2-(5-Isopropyl-2-methyl-tetrahydrothiophen-2-yl)-ethyl acetate
    • Tetrahydro-2-methyl-5-(1-methylethyl)-2-thiopheneethanol acetate
    • 1658479-63-0
    • SCHEMBL17164398

  • Applications

    48ER97K3ZJ (CAS 1658479-63-0) is typically considered for use as an intermediate in organic synthesis and as a solvent or processing aid in various industrial formulations. It may function as a plasticizer or stabilizer in polymer systems to modify rheology and performance. In coatings, inks, and adhesives, it can act as a processing solvent or compatibility enhancer to improve film formation and adhesion. For fragrance and personal care, it may be evaluated as an odorant or fixative component; in household products and cleaning formulations, it can serve as a surfactant or solvent depending on the formulation. Its applications are formulation-dependent and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1446.39
    methanol 1020.53
    isopropanol 1378.73
    water 0.89
    ethyl acetate 2700.34
    n-propanol 1223.28
    acetone 3446.29
    n-butanol 1085.74
    acetonitrile 1531.67
    DMF 3674.86
    toluene 1356.15
    isobutanol 936.93
    1,4-dioxane 3947.58
    methyl acetate 2152.73
    THF 5394.86
    2-butanone 2415.79
    n-pentanol 631.9
    sec-butanol 987.58
    n-hexane 33.33
    ethylene glycol 221.47
    NMP 2328.85
    cyclohexane 159.86
    DMSO 2374.74
    n-butyl acetate 1354.46
    n-octanol 425.82
    chloroform 5787.95
    n-propyl acetate 1320.32
    acetic acid 1237.58
    dichloromethane 4098.35
    cyclohexanone 3301.97
    propylene glycol 584.88
    isopropyl acetate 1881.71
    DMAc 2371.01
    2-ethoxyethanol 1251.17
    isopentanol 968.55
    n-heptane 29.5
    ethyl formate 1335.24
    1,2-dichloroethane 2345.48
    n-hexanol 757.44
    2-methoxyethanol 2285.77
    isobutyl acetate 917.05
    tetrachloromethane 588.7
    n-pentyl acetate 847.83
    transcutol 4874.86
    n-heptanol 358.21
    ethylbenzene 509.31
    MIBK 1284.54
    2-propoxyethanol 1706.78
    tert-butanol 1658.9
    MTBE 1812.4
    2-butoxyethanol 825.07
    propionic acid 1201.99
    o-xylene 660.06
    formic acid 339.88
    diethyl ether 1471.4
    m-xylene 874.59
    p-xylene 694.4
    chlorobenzene 1904.81
    dimethyl carbonate 926.01
    n-octane 16.37
    formamide 718.78
    cyclopentanone 3778.99
    2-pentanone 2114.49
    anisole 1554.51
    cyclopentyl methyl ether 2019.49
    gamma-butyrolactone 4032.2
    1-methoxy-2-propanol 2196.04
    pyridine 2761.24
    3-pentanone 1302.53
    furfural 3258.91
    n-dodecane 17.91
    diethylene glycol 1121.04
    diisopropyl ether 490.2
    tert-amyl alcohol 1124.52
    acetylacetone 2801.34
    n-hexadecane 22.8
    acetophenone 1307.42
    methyl propionate 1742.94
    isopentyl acetate 1285.62
    trichloroethylene 5295.71
    n-nonanol 370.32
    cyclohexanol 1286.73
    benzyl alcohol 1021.1
    2-ethylhexanol 443.1
    isooctanol 323.69
    dipropyl ether 485.18
    1,2-dichlorobenzene 1558.11
    ethyl lactate 575.8
    propylene carbonate 2399.57
    n-methylformamide 1552.83
    2-pentanol 780.41
    n-pentane 45.14
    1-propoxy-2-propanol 1198.27
    1-methoxy-2-propyl acetate 1923.18
    2-(2-methoxypropoxy) propanol 1006.55
    mesitylene 470.23
    ε-caprolactone 2947.2
    p-cymene 282.94
    epichlorohydrin 4218.84
    1,1,1-trichloroethane 2978.22
    2-aminoethanol 592.84
    morpholine-4-carbaldehyde 3336.98
    sulfolane 3397.63
    2,2,4-trimethylpentane 43.42
    2-methyltetrahydrofuran 3435.75
    n-hexyl acetate 1272.03
    isooctane 42.57
    2-(2-butoxyethoxy)ethanol 1402.49
    sec-butyl acetate 1084.98
    tert-butyl acetate 1863.89
    decalin 78.24
    glycerin 690.31
    diglyme 2583.27
    acrylic acid 915.94
    isopropyl myristate 434.48
    n-butyric acid 1806.68
    acetyl acetate 1796.43
    di(2-ethylhexyl) phthalate 400.09
    ethyl propionate 1088.23
    nitromethane 2895.02
    1,2-diethoxyethane 1478.15
    benzonitrile 1545.05
    trioctyl phosphate 270.83
    1-bromopropane 1077.36
    gamma-valerolactone 5168.1
    n-decanol 254.82
    triethyl phosphate 403.06
    4-methyl-2-pentanol 492.05
    propionitrile 1236.09
    vinylene carbonate 2208.43
    1,1,2-trichlorotrifluoroethane 2543.55
    DMS 1165.54
    cumene 319.61
    2-octanol 289.99
    2-hexanone 1165.72
    octyl acetate 555.21
    limonene 408.04
    1,2-dimethoxyethane 2185.42
    ethyl orthosilicate 378.43
    tributyl phosphate 375.95
    diacetone alcohol 1637.78
    N,N-dimethylaniline 767.79
    acrylonitrile 1473.32
    aniline 1647.58
    1,3-propanediol 981.29
    bromobenzene 2024.41
    dibromomethane 2317.07
    1,1,2,2-tetrachloroethane 4140.39
    2-methyl-cyclohexyl acetate 787.61
    tetrabutyl urea 434.18
    diisobutyl methanol 268.23
    2-phenylethanol 999.84
    styrene 722.29
    dioctyl adipate 641.87
    dimethyl sulfate 1317.75
    ethyl butyrate 883.33
    methyl lactate 861.9
    butyl lactate 701.01
    diethyl carbonate 613.29
    propanediol butyl ether 1005.79
    triethyl orthoformate 625.88
    p-tert-butyltoluene 302.41
    methyl 4-tert-butylbenzoate 916.14
    morpholine 4243.91
    tert-butylamine 831.16
    n-dodecanol 185.12
    dimethoxymethane 2234.55
    ethylene carbonate 1951.21
    cyrene 953.51
    2-ethoxyethyl acetate 1347.09
    2-ethylhexyl acetate 969.51
    1,2,4-trichlorobenzene 1961.49
    4-methylpyridine 3097.02
    dibutyl ether 536.66
    2,6-dimethyl-4-heptanol 268.23
    DEF 1827.47
    dimethyl isosorbide 1750.11
    tetrachloroethylene 2086.76
    eugenol 842.84
    triacetin 1380.41
    span 80 831.81
    1,4-butanediol 354.45
    1,1-dichloroethane 3048.73
    2-methyl-1-pentanol 592.82
    methyl formate 1217.15
    2-methyl-1-butanol 825.98
    n-decane 33.45
    butyronitrile 1461.16
    3,7-dimethyl-1-octanol 473.11
    1-chlorooctane 276.92
    1-chlorotetradecane 94.12
    n-nonane 29.39
    undecane 23.75
    tert-butylcyclohexane 67.31
    cyclooctane 47.55
    cyclopentanol 1397.87
    tetrahydropyran 3503.46
    tert-amyl methyl ether 1058.3
    2,5,8-trioxanonane 1597.2
    1-hexene 243.99
    2-isopropoxyethanol 996.51
    2,2,2-trifluoroethanol 645.34
    methyl butyrate 1357.38

    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