5-Ethyl-2,3,4,6,7-pentathiadecane

  • Identifiers

    Molecular formula
    C7H16S5

    SMILES
    CCCSSC(CC)SSSC

  • Odor profile

    Fragrance
    Sulfurous 84.6%
    Onion 82.27%
    Garlic 75.66%
    Alliaceous 70.68%
    Savory 56.65%
    Roasted 53.66%
    Cooked 52.82%
    Meaty 45.51%
    Pungent 43.35%
    Green 42.7%

     

    Flavor
    Onion 72.78%
    Garlic 66.14%
    Sulfurous 62.64%
    Green 53.07%
    Alliaceous 47.03%
    Metallic 36.78%
    Cabbage 33.77%
    Sulfury 32.75%
    Cooked 29.51%
    Meaty 28.83%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    3.53 (weak acid)

    Molecular weight
    260.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    347°C

    Flash point

    • 167.37 ˚C est.

  • Applications

    5-Ethyl-2,3,4,6,7-pentathiadecane is a sulfur-containing hydrocarbon typically used as an intermediate in organosulfur synthesis and may be employed as a processing aid in polymer formulations (including rubbers and plastics); it can act as a sulfur donor or crosslinking additive in vulcanization chemistry, and may also function as a lubricant or anti-wear additive in industrial lubricants, as well as a specialty modifier for coatings or inks, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 518.45
    methanol 314.82
    isopropanol 483.29
    water 0.04
    ethyl acetate 2180.5
    n-propanol 520.15
    acetone 4082.77
    n-butanol 610.44
    acetonitrile 1104.03
    DMF 5367.66
    toluene 3097.11
    isobutanol 465.81
    1,4-dioxane 4715.95
    methyl acetate 1718.52
    THF 7820.51
    2-butanone 2562.11
    n-pentanol 429.74
    sec-butanol 482.99
    n-hexane 144.46
    ethylene glycol 67.84
    NMP 5117.62
    cyclohexane 989.71
    DMSO 4087.88
    n-butyl acetate 2197.74
    n-octanol 408.81
    chloroform 4869.19
    n-propyl acetate 1310.08
    acetic acid 708.05
    dichloromethane 4630.4
    cyclohexanone 7413.61
    propylene glycol 146.23
    isopropyl acetate 1458.85
    DMAc 3145.21
    2-ethoxyethanol 704.39
    isopentanol 563.61
    n-heptane 301.1
    ethyl formate 1122.33
    1,2-dichloroethane 3386.23
    n-hexanol 648.16
    2-methoxyethanol 1206.39
    isobutyl acetate 916.82
    tetrachloromethane 908.47
    n-pentyl acetate 1275.68
    transcutol 2575.35
    n-heptanol 341.81
    ethylbenzene 810.28
    MIBK 1418.29
    2-propoxyethanol 1075.61
    tert-butanol 742.2
    MTBE 1317.95
    2-butoxyethanol 630.43
    propionic acid 572.75
    o-xylene 1211.38
    formic acid 87.67
    diethyl ether 1547.59
    m-xylene 1449.18
    p-xylene 1082.52
    chlorobenzene 3156.37
    dimethyl carbonate 789.72
    n-octane 113.4
    formamide 256.1
    cyclopentanone 7394.34
    2-pentanone 2562.18
    anisole 1635.74
    cyclopentyl methyl ether 3560.81
    gamma-butyrolactone 5342.7
    1-methoxy-2-propanol 944.32
    pyridine 5986.24
    3-pentanone 1941.65
    furfural 4670.81
    n-dodecane 79.03
    diethylene glycol 543.28
    diisopropyl ether 564.16
    tert-amyl alcohol 583.75
    acetylacetone 3674.94
    n-hexadecane 99.42
    acetophenone 1736.42
    methyl propionate 1596.93
    isopentyl acetate 1765.94
    trichloroethylene 7742.03
    n-nonanol 378.7
    cyclohexanol 1368.31
    benzyl alcohol 971.46
    2-ethylhexanol 577.11
    isooctanol 306.31
    dipropyl ether 1252.98
    1,2-dichlorobenzene 2383.41
    ethyl lactate 384.14
    propylene carbonate 2564.86
    n-methylformamide 1112.36
    2-pentanol 458.99
    n-pentane 176.59
    1-propoxy-2-propanol 1036.2
    1-methoxy-2-propyl acetate 1915.59
    2-(2-methoxypropoxy) propanol 693.91
    mesitylene 866.23
    ε-caprolactone 3797.97
    p-cymene 617.12
    epichlorohydrin 5223.22
    1,1,1-trichloroethane 3964.53
    2-aminoethanol 174.93
    morpholine-4-carbaldehyde 4680.81
    sulfolane 6367.76
    2,2,4-trimethylpentane 97.62
    2-methyltetrahydrofuran 4530.56
    n-hexyl acetate 1410.38
    isooctane 95.3
    2-(2-butoxyethoxy)ethanol 947.17
    sec-butyl acetate 878.23
    tert-butyl acetate 1844.36
    decalin 276.77
    glycerin 214.13
    diglyme 2338.02
    acrylic acid 527.63
    isopropyl myristate 619.72
    n-butyric acid 1159.46
    acetyl acetate 1517.21
    di(2-ethylhexyl) phthalate 498.35
    ethyl propionate 1011.54
    nitromethane 2314.82
    1,2-diethoxyethane 1866.12
    benzonitrile 2236.47
    trioctyl phosphate 360.67
    1-bromopropane 1705.5
    gamma-valerolactone 8114.6
    n-decanol 286.25
    triethyl phosphate 589.24
    4-methyl-2-pentanol 305.05
    propionitrile 954.77
    vinylene carbonate 2345.95
    1,1,2-trichlorotrifluoroethane 2233.18
    DMS 1200.94
    cumene 414.08
    2-octanol 306.86
    2-hexanone 1397.26
    octyl acetate 713.62
    limonene 1150.57
    1,2-dimethoxyethane 2429.28
    ethyl orthosilicate 575.81
    tributyl phosphate 490.97
    diacetone alcohol 1319.22
    N,N-dimethylaniline 989.39
    acrylonitrile 1273.23
    aniline 1830.28
    1,3-propanediol 368.71
    bromobenzene 4131.81
    dibromomethane 2873.59
    1,1,2,2-tetrachloroethane 5026.8
    2-methyl-cyclohexyl acetate 1141.43
    tetrabutyl urea 764.4
    diisobutyl methanol 456.83
    2-phenylethanol 1060.72
    styrene 1343.23
    dioctyl adipate 858.65
    dimethyl sulfate 1334.92
    ethyl butyrate 1403.54
    methyl lactate 505.95
    butyl lactate 676.31
    diethyl carbonate 839.27
    propanediol butyl ether 554.14
    triethyl orthoformate 1031.44
    p-tert-butyltoluene 635.57
    methyl 4-tert-butylbenzoate 1095.91
    morpholine 4435.65
    tert-butylamine 454.86
    n-dodecanol 237.51
    dimethoxymethane 2417.74
    ethylene carbonate 2017.14
    cyrene 1083.73
    2-ethoxyethyl acetate 1678.3
    2-ethylhexyl acetate 1557.49
    1,2,4-trichlorobenzene 2573.14
    4-methylpyridine 5832.35
    dibutyl ether 1047.98
    2,6-dimethyl-4-heptanol 456.83
    DEF 2822.85
    dimethyl isosorbide 2110.14
    tetrachloroethylene 2805.33
    eugenol 880.25
    triacetin 1253.33
    span 80 785.8
    1,4-butanediol 166.72
    1,1-dichloroethane 2981.22
    2-methyl-1-pentanol 412.79
    methyl formate 1073.81
    2-methyl-1-butanol 513.68
    n-decane 143.39
    butyronitrile 1329.91
    3,7-dimethyl-1-octanol 480.84
    1-chlorooctane 549.67
    1-chlorotetradecane 227.55
    n-nonane 147.18
    undecane 101.01
    tert-butylcyclohexane 187.04
    cyclooctane 346.9
    cyclopentanol 1310.25
    tetrahydropyran 5031.79
    tert-amyl methyl ether 1001.55
    2,5,8-trioxanonane 1474.18
    1-hexene 503.75
    2-isopropoxyethanol 544.43
    2,2,2-trifluoroethanol 269.27
    methyl butyrate 1543.79

    Scent© AI

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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
Name CAS Botanical Proportion
Onion, welsh 8002-72-0 Allium fistulosum L. var. Maichuon, fam. Liliaceae 0.09%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 0.01%