4-Ethyl-2,3,5,6-tetrathianonane

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  • Identifiers

    Molecular formula
    C8H18S4

    SMILES
    CCCCSSC(CC)SSC

  • Odor profile

    Sulfurous 83.07%
    Onion 81.14%
    Garlic 72.9%
    Alliaceous 71.69%
    Savory 56.87%
    Roasted 51.69%
    Cooked 50.37%
    Green 49.19%
    Meaty 47.2%
    Vegetable 41.55%

    Scent© AI

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    4.09 (weak acid)

    Molecular weight
    242.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    309°C

    Flash point est.
    142.84 ˚C

  • Synonyms

    • 4-ethyl-2,3,5,6-tetrathianonane
    • LNAMXHMFHVMUIA-UHFFFAOYSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1634.82
    methanol 936.99
    isopropanol 1551.48
    water 0.05
    ethyl acetate 6402.6
    n-propanol 1645.07
    acetone 11243.44
    n-butanol 1829.59
    acetonitrile 3434.34
    DMF 9180.38
    toluene 6587.12
    isobutanol 1435.31
    1,4-dioxane 10652.66
    methyl acetate 4430.75
    THF 17751.54
    2-butanone 6613.27
    n-pentanol 1101.63
    sec-butanol 1435.13
    n-hexane 587.1
    ethylene glycol 158.35
    NMP 7790.22
    cyclohexane 3326.73
    DMSO 8519.79
    n-butyl acetate 5752.53
    n-octanol 954.14
    chloroform 11283.13
    n-propyl acetate 3226.24
    acetic acid 1771.66
    dichloromethane 10888.99
    cyclohexanone 16183.78
    propylene glycol 347.74
    isopropyl acetate 3844.56
    DMAc 4946.55
    2-ethoxyethanol 1579.01
    isopentanol 1722.15
    n-heptane 951.67
    ethyl formate 2859.82
    1,2-dichloroethane 8847.79
    n-hexanol 1729.05
    2-methoxyethanol 2997.92
    isobutyl acetate 1991.17
    tetrachloromethane 2465.15
    n-pentyl acetate 2805.24
    transcutol 5594.33
    n-heptanol 816.1
    ethylbenzene 1708.69
    MIBK 3337.1
    2-propoxyethanol 2531.58
    tert-butanol 2216.82
    MTBE 3908.8
    2-butoxyethanol 1380.32
    propionic acid 1487.58
    o-xylene 2356.86
    formic acid 196.47
    diethyl ether 5404.7
    m-xylene 2965.54
    p-xylene 2139.05
    chlorobenzene 6080.2
    dimethyl carbonate 1657.6
    n-octane 326.29
    formamide 564.44
    cyclopentanone 15723.26
    2-pentanone 7163.03
    anisole 2977.19
    cyclopentyl methyl ether 9007.51
    gamma-butyrolactone 10903.22
    1-methoxy-2-propanol 2334.24
    pyridine 11377.92
    3-pentanone 5163.55
    furfural 7969.77
    n-dodecane 181.67
    diethylene glycol 1123.98
    diisopropyl ether 1740.85
    tert-amyl alcohol 1697.36
    acetylacetone 7807.88
    n-hexadecane 228.22
    acetophenone 2754.94
    methyl propionate 4212.82
    isopentyl acetate 4190.01
    trichloroethylene 15913.68
    n-nonanol 841.56
    cyclohexanol 3698.5
    benzyl alcohol 1644.98
    2-ethylhexanol 1476.47
    isooctanol 719.57
    dipropyl ether 3630.37
    1,2-dichlorobenzene 4497.06
    ethyl lactate 751.51
    propylene carbonate 5046.21
    n-methylformamide 2462.92
    2-pentanol 1447.35
    n-pentane 691.61
    1-propoxy-2-propanol 2408.65
    1-methoxy-2-propyl acetate 3976.73
    2-(2-methoxypropoxy) propanol 1196.01
    mesitylene 1797.04
    ε-caprolactone 8242.71
    p-cymene 1248.4
    epichlorohydrin 11193.9
    1,1,1-trichloroethane 9958.09
    2-aminoethanol 426.51
    morpholine-4-carbaldehyde 7476.12
    sulfolane 11591.67
    2,2,4-trimethylpentane 304.07
    2-methyltetrahydrofuran 10950.83
    n-hexyl acetate 3060.76
    isooctane 288.03
    2-(2-butoxyethoxy)ethanol 1802.07
    sec-butyl acetate 2054.62
    tert-butyl acetate 4385.94
    decalin 708.74
    glycerin 454.46
    diglyme 4493.62
    acrylic acid 1189.38
    isopropyl myristate 1180.2
    n-butyric acid 3329.48
    acetyl acetate 3514.33
    di(2-ethylhexyl) phthalate 804.13
    ethyl propionate 2599.86
    nitromethane 5195.31
    1,2-diethoxyethane 4541.27
    benzonitrile 4054.57
    trioctyl phosphate 643.37
    1-bromopropane 5110.3
    gamma-valerolactone 15106.16
    n-decanol 610.01
    triethyl phosphate 1119.83
    4-methyl-2-pentanol 862.64
    propionitrile 2864.31
    vinylene carbonate 4271.28
    1,1,2-trichlorotrifluoroethane 4386.81
    DMS 2073.66
    cumene 823.49
    2-octanol 720.77
    2-hexanone 3370.92
    octyl acetate 1373.59
    limonene 2572.9
    1,2-dimethoxyethane 5089.5
    ethyl orthosilicate 1123.37
    tributyl phosphate 887.72
    diacetone alcohol 2889.13
    N,N-dimethylaniline 1599.38
    acrylonitrile 3197.94
    aniline 3586.39
    1,3-propanediol 958.37
    bromobenzene 7968.81
    dibromomethane 7537.4
    1,1,2,2-tetrachloroethane 11341.61
    2-methyl-cyclohexyl acetate 2118.35
    tetrabutyl urea 1275.29
    diisobutyl methanol 1074.8
    2-phenylethanol 1855.55
    styrene 2705.8
    dioctyl adipate 1492.27
    dimethyl sulfate 2446.87
    ethyl butyrate 3374.33
    methyl lactate 1044.31
    butyl lactate 1368.88
    diethyl carbonate 1753.23
    propanediol butyl ether 1148.62
    triethyl orthoformate 2226.44
    p-tert-butyltoluene 1233.21
    methyl 4-tert-butylbenzoate 1758.79
    morpholine 10169.34
    tert-butylamine 1480.81
    n-dodecanol 485.03
    dimethoxymethane 5554.98
    ethylene carbonate 4184.87
    cyrene 1534.81
    2-ethoxyethyl acetate 3352.77
    2-ethylhexyl acetate 3651.05
    1,2,4-trichlorobenzene 4433.76
    4-methylpyridine 11047.99
    dibutyl ether 2791.94
    2,6-dimethyl-4-heptanol 1074.8
    DEF 6519.99
    dimethyl isosorbide 3244.74
    tetrachloroethylene 6734.3
    eugenol 1351.01
    triacetin 2173.92
    span 80 1393.6
    1,4-butanediol 360.66
    1,1-dichloroethane 8096.37
    2-methyl-1-pentanol 1025.53
    methyl formate 2353.65
    2-methyl-1-butanol 1471.19
    n-decane 364.49
    butyronitrile 3945.9
    3,7-dimethyl-1-octanol 1067.6
    1-chlorooctane 1354.81
    1-chlorotetradecane 488.0
    n-nonane 401.81
    undecane 242.89
    tert-butylcyclohexane 476.39
    cyclooctane 1084.59
    cyclopentanol 3192.56
    tetrahydropyran 13185.67
    tert-amyl methyl ether 2701.68
    2,5,8-trioxanonane 2508.76
    1-hexene 1743.03
    2-isopropoxyethanol 1147.95
    2,2,2-trifluoroethanol 600.14
    methyl butyrate 3791.94

    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

Botanical

Name CAS Botanical Proportion
Onion, welsh 8002-72-0 Allium fistulosum L. var. Maichuon, fam. Liliaceae 0.76%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 0.28%