trans-2-Methyl-4-n-propyl-1,3-oxathiane

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  • Identifiers

    Molecular formula
    C8H16OS

    SMILES
    CCC[C@H]1CCO[C@@H](S1)C

  • Odor profile

    Fruity 89.49%
    Tropical 76.38%
    Green 74.34%
    Sulfurous 66.47%
    Onion 54.97%
    Alliaceous 39.56%
    Vegetable 39.11%
    Black currant 39.07%
    Woody 36.86%
    Garlic 36.53%

    Scent© AI

  • Properties

    XLogP3-AA
    2.7

    Molecular weight
    160.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    204°C

    Flash point est.
    71.36 ˚C

  • Synonyms

    • GKGOLPMYJJXRGD-YUMQZZPRSA-N
    • trans-2-methyl-4- n-propyl-1,3-oxathiane
    • NS00087917

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2363.52
    methanol 1638.76
    isopropanol 1800.37
    water 0.82
    ethyl acetate 1761.12
    n-propanol 1882.72
    acetone 2756.4
    n-butanol 1704.18
    acetonitrile 2232.14
    DMF 1560.7
    toluene 1214.81
    isobutanol 1306.72
    1,4-dioxane 3785.0
    methyl acetate 1545.32
    THF 4200.73
    2-butanone 1868.88
    n-pentanol 903.59
    sec-butanol 1315.35
    n-hexane 135.2
    ethylene glycol 334.36
    NMP 1370.05
    cyclohexane 690.81
    DMSO 2882.26
    n-butyl acetate 1846.47
    n-octanol 570.65
    chloroform 5763.03
    n-propyl acetate 966.31
    acetic acid 1595.98
    dichloromethane 5164.65
    cyclohexanone 3329.62
    propylene glycol 539.42
    isopropyl acetate 935.49
    DMAc 878.53
    2-ethoxyethanol 1095.76
    isopentanol 1153.76
    n-heptane 298.0
    ethyl formate 1371.81
    1,2-dichloroethane 2607.95
    n-hexanol 1535.14
    2-methoxyethanol 1798.28
    isobutyl acetate 566.64
    tetrachloromethane 999.87
    n-pentyl acetate 874.05
    transcutol 3177.43
    n-heptanol 539.92
    ethylbenzene 374.74
    MIBK 741.97
    2-propoxyethanol 1714.62
    tert-butanol 1693.77
    MTBE 1210.44
    2-butoxyethanol 749.33
    propionic acid 1276.56
    o-xylene 551.68
    formic acid 303.93
    diethyl ether 1571.89
    m-xylene 634.62
    p-xylene 471.38
    chlorobenzene 1553.37
    dimethyl carbonate 339.62
    n-octane 88.1
    formamide 456.47
    cyclopentanone 3001.35
    2-pentanone 1541.91
    anisole 736.49
    cyclopentyl methyl ether 1720.76
    gamma-butyrolactone 2931.66
    1-methoxy-2-propanol 1324.21
    pyridine 2794.62
    3-pentanone 994.78
    furfural 2303.26
    n-dodecane 69.62
    diethylene glycol 1063.43
    diisopropyl ether 402.86
    tert-amyl alcohol 1040.18
    acetylacetone 1475.71
    n-hexadecane 84.07
    acetophenone 653.56
    methyl propionate 1056.83
    isopentyl acetate 1251.05
    trichloroethylene 4305.22
    n-nonanol 453.18
    cyclohexanol 1755.96
    benzyl alcohol 670.86
    2-ethylhexanol 799.99
    isooctanol 390.27
    dipropyl ether 1077.1
    1,2-dichlorobenzene 1112.41
    ethyl lactate 325.7
    propylene carbonate 1579.29
    n-methylformamide 1048.19
    2-pentanol 956.99
    n-pentane 221.81
    1-propoxy-2-propanol 1294.16
    1-methoxy-2-propyl acetate 1216.34
    2-(2-methoxypropoxy) propanol 615.99
    mesitylene 373.73
    ε-caprolactone 2495.16
    p-cymene 398.78
    epichlorohydrin 3205.93
    1,1,1-trichloroethane 2734.29
    2-aminoethanol 723.22
    morpholine-4-carbaldehyde 1866.97
    sulfolane 2622.52
    2,2,4-trimethylpentane 94.08
    2-methyltetrahydrofuran 3153.96
    n-hexyl acetate 1102.99
    isooctane 81.51
    2-(2-butoxyethoxy)ethanol 916.99
    sec-butyl acetate 557.97
    tert-butyl acetate 868.92
    decalin 156.36
    glycerin 555.1
    diglyme 1837.54
    acrylic acid 939.05
    isopropyl myristate 405.81
    n-butyric acid 2033.85
    acetyl acetate 1038.11
    di(2-ethylhexyl) phthalate 352.62
    ethyl propionate 658.8
    nitromethane 2277.57
    1,2-diethoxyethane 1527.92
    benzonitrile 1342.84
    trioctyl phosphate 276.72
    1-bromopropane 1861.36
    gamma-valerolactone 3318.24
    n-decanol 320.23
    triethyl phosphate 334.4
    4-methyl-2-pentanol 419.72
    propionitrile 1724.18
    vinylene carbonate 1546.03
    1,1,2-trichlorotrifluoroethane 1576.97
    DMS 616.25
    cumene 228.74
    2-octanol 380.3
    2-hexanone 934.64
    octyl acetate 515.95
    limonene 752.61
    1,2-dimethoxyethane 1767.78
    ethyl orthosilicate 327.47
    tributyl phosphate 359.39
    diacetone alcohol 875.29
    N,N-dimethylaniline 374.06
    acrylonitrile 1671.15
    aniline 1277.43
    1,3-propanediol 1112.69
    bromobenzene 1779.43
    dibromomethane 3552.11
    1,1,2,2-tetrachloroethane 3091.03
    2-methyl-cyclohexyl acetate 653.14
    tetrabutyl urea 445.4
    diisobutyl methanol 431.21
    2-phenylethanol 821.98
    styrene 540.96
    dioctyl adipate 553.01
    dimethyl sulfate 457.66
    ethyl butyrate 1006.18
    methyl lactate 433.42
    butyl lactate 562.76
    diethyl carbonate 587.61
    propanediol butyl ether 720.38
    triethyl orthoformate 634.2
    p-tert-butyltoluene 366.01
    methyl 4-tert-butylbenzoate 547.98
    morpholine 3657.62
    tert-butylamine 1056.7
    n-dodecanol 246.56
    dimethoxymethane 1163.64
    ethylene carbonate 1495.18
    cyrene 532.54
    2-ethoxyethyl acetate 1105.19
    2-ethylhexyl acetate 989.76
    1,2,4-trichlorobenzene 1322.21
    4-methylpyridine 2449.14
    dibutyl ether 819.84
    2,6-dimethyl-4-heptanol 431.21
    DEF 1237.02
    dimethyl isosorbide 1122.03
    tetrachloroethylene 1917.55
    eugenol 497.13
    triacetin 787.46
    span 80 686.25
    1,4-butanediol 411.1
    1,1-dichloroethane 3111.35
    2-methyl-1-pentanol 612.5
    methyl formate 867.48
    2-methyl-1-butanol 1048.73
    n-decane 126.17
    butyronitrile 2104.81
    3,7-dimethyl-1-octanol 523.88
    1-chlorooctane 468.38
    1-chlorotetradecane 185.11
    n-nonane 131.55
    undecane 89.39
    tert-butylcyclohexane 124.21
    cyclooctane 190.7
    cyclopentanol 1732.97
    tetrahydropyran 3873.34
    tert-amyl methyl ether 742.27
    2,5,8-trioxanonane 1069.16
    1-hexene 491.91
    2-isopropoxyethanol 697.68
    2,2,2-trifluoroethanol 432.78
    methyl butyrate 966.06

    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