6-Ethyl-4,5,7,8-tetrathiaundecane

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  • Identifiers

    Molecular formula
    C9H20S4

    SMILES
    CCCSSC(CC)SSCCC

  • Odor profile

    Sulfurous 84.4%
    Onion 80.81%
    Alliaceous 75.27%
    Garlic 73.9%
    Green 60.04%
    Savory 57.5%
    Cooked 50.3%
    Roasted 49.56%
    Meaty 47.95%
    Vegetable 47.88%

    Scent© AI

  • Properties

    XLogP3-AA
    4.4

    Molecular weight
    256.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    313°C

    Flash point est.
    156.93 ˚C

  • Synonyms

    • 6-ethyl-4,5,7,8-tetrathiaundecane
    • RIOBTICKNGDVHT-UHFFFAOYSA-N
    • 2,2'-(Propane-1,1-diyl)bis(1-propyldisulfane)

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 676.31
    methanol 351.78
    isopropanol 735.49
    water 0.02
    ethyl acetate 4393.68
    n-propanol 789.34
    acetone 7006.66
    n-butanol 962.73
    acetonitrile 1783.36
    DMF 7245.2
    toluene 5938.96
    isobutanol 781.4
    1,4-dioxane 7767.37
    methyl acetate 3016.92
    THF 14895.11
    2-butanone 4501.8
    n-pentanol 627.5
    sec-butanol 766.46
    n-hexane 611.93
    ethylene glycol 65.14
    NMP 9289.0
    cyclohexane 3339.89
    DMSO 5699.0
    n-butyl acetate 4635.16
    n-octanol 736.83
    chloroform 9599.11
    n-propyl acetate 2526.42
    acetic acid 1043.06
    dichloromethane 8909.79
    cyclohexanone 14351.45
    propylene glycol 163.94
    isopropyl acetate 3132.4
    DMAc 4890.5
    2-ethoxyethanol 911.77
    isopentanol 1044.37
    n-heptane 1077.63
    ethyl formate 1966.14
    1,2-dichloroethane 6976.46
    n-hexanol 1117.38
    2-methoxyethanol 1637.32
    isobutyl acetate 1696.47
    tetrachloromethane 2075.12
    n-pentyl acetate 2670.79
    transcutol 3743.18
    n-heptanol 594.29
    ethylbenzene 1695.31
    MIBK 2798.49
    2-propoxyethanol 1636.17
    tert-butanol 1217.06
    MTBE 2633.75
    2-butoxyethanol 1015.93
    propionic acid 969.78
    o-xylene 2549.67
    formic acid 97.61
    diethyl ether 3452.53
    m-xylene 2988.74
    p-xylene 2287.43
    chlorobenzene 6004.29
    dimethyl carbonate 1402.82
    n-octane 367.79
    formamide 301.57
    cyclopentanone 15008.44
    2-pentanone 4998.94
    anisole 2771.59
    cyclopentyl methyl ether 8241.94
    gamma-butyrolactone 10328.27
    1-methoxy-2-propanol 1406.1
    pyridine 9772.83
    3-pentanone 3978.16
    furfural 7529.39
    n-dodecane 196.35
    diethylene glycol 621.91
    diisopropyl ether 1403.35
    tert-amyl alcohol 1027.21
    acetylacetone 6503.87
    n-hexadecane 250.95
    acetophenone 2862.6
    methyl propionate 3062.54
    isopentyl acetate 3700.94
    trichloroethylene 14256.57
    n-nonanol 689.4
    cyclohexanol 2509.27
    benzyl alcohol 1361.9
    2-ethylhexanol 1196.16
    isooctanol 569.11
    dipropyl ether 3275.39
    1,2-dichlorobenzene 4805.73
    ethyl lactate 617.04
    propylene carbonate 4817.01
    n-methylformamide 1552.63
    2-pentanol 824.01
    n-pentane 591.44
    1-propoxy-2-propanol 1767.16
    1-methoxy-2-propyl acetate 3444.83
    2-(2-methoxypropoxy) propanol 1008.12
    mesitylene 1965.24
    ε-caprolactone 7625.37
    p-cymene 1390.59
    epichlorohydrin 9647.96
    1,1,1-trichloroethane 8423.83
    2-aminoethanol 195.99
    morpholine-4-carbaldehyde 7200.24
    sulfolane 12002.25
    2,2,4-trimethylpentane 288.12
    2-methyltetrahydrofuran 9283.52
    n-hexyl acetate 2963.63
    isooctane 266.3
    2-(2-butoxyethoxy)ethanol 1372.77
    sec-butyl acetate 1761.37
    tert-butyl acetate 3941.35
    decalin 821.51
    glycerin 220.71
    diglyme 3787.9
    acrylic acid 823.21
    isopropyl myristate 1215.94
    n-butyric acid 2270.62
    acetyl acetate 2994.61
    di(2-ethylhexyl) phthalate 810.84
    ethyl propionate 2132.41
    nitromethane 3453.82
    1,2-diethoxyethane 3683.18
    benzonitrile 3709.87
    trioctyl phosphate 618.52
    1-bromopropane 4080.99
    gamma-valerolactone 13492.88
    n-decanol 500.39
    triethyl phosphate 1169.16
    4-methyl-2-pentanol 565.81
    propionitrile 1694.98
    vinylene carbonate 4048.27
    1,1,2-trichlorotrifluoroethane 3765.52
    DMS 2207.08
    cumene 882.8
    2-octanol 561.8
    2-hexanone 2610.95
    octyl acetate 1361.13
    limonene 2827.3
    1,2-dimethoxyethane 3719.5
    ethyl orthosilicate 1146.98
    tributyl phosphate 885.47
    diacetone alcohol 2314.02
    N,N-dimethylaniline 1727.44
    acrylonitrile 2049.18
    aniline 2990.02
    1,3-propanediol 467.68
    bromobenzene 8257.55
    dibromomethane 6150.11
    1,1,2,2-tetrachloroethane 10291.23
    2-methyl-cyclohexyl acetate 2265.51
    tetrabutyl urea 1414.44
    diisobutyl methanol 978.44
    2-phenylethanol 1610.65
    styrene 2638.21
    dioctyl adipate 1580.7
    dimethyl sulfate 2376.51
    ethyl butyrate 3064.83
    methyl lactate 802.02
    butyl lactate 1237.05
    diethyl carbonate 1680.47
    propanediol butyl ether 769.19
    triethyl orthoformate 2158.92
    p-tert-butyltoluene 1368.47
    methyl 4-tert-butylbenzoate 1930.54
    morpholine 7404.59
    tert-butylamine 890.96
    n-dodecanol 409.42
    dimethoxymethane 4015.99
    ethylene carbonate 3815.72
    cyrene 1480.38
    2-ethoxyethyl acetate 3034.12
    2-ethylhexyl acetate 3416.05
    1,2,4-trichlorobenzene 4934.77
    4-methylpyridine 9703.5
    dibutyl ether 2710.44
    2,6-dimethyl-4-heptanol 978.44
    DEF 5695.49
    dimethyl isosorbide 3339.92
    tetrachloroethylene 6005.82
    eugenol 1316.86
    triacetin 2286.87
    span 80 1233.79
    1,4-butanediol 189.53
    1,1-dichloroethane 6201.81
    2-methyl-1-pentanol 659.88
    methyl formate 1538.73
    2-methyl-1-butanol 885.56
    n-decane 404.5
    butyronitrile 2383.24
    3,7-dimethyl-1-octanol 909.14
    1-chlorooctane 1375.75
    1-chlorotetradecane 503.25
    n-nonane 443.41
    undecane 264.57
    tert-butylcyclohexane 539.66
    cyclooctane 1211.02
    cyclopentanol 2421.24
    tetrahydropyran 9970.72
    tert-amyl methyl ether 2106.85
    2,5,8-trioxanonane 2188.25
    1-hexene 1394.18
    2-isopropoxyethanol 744.69
    2,2,2-trifluoroethanol 405.28
    methyl butyrate 3175.28

    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 0.25%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 0.11%