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

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C5H12S5

    SMILES
    CCC(SSC)SSSC

  • Odor profile

    Sulfurous 85.95%
    Onion 83.29%
    Garlic 76.77%
    Alliaceous 68.98%
    Savory 56.29%
    Roasted 55.47%
    Cooked 54.2%
    Meaty 46.27%
    Pungent 44.47%
    Green 35.24%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    2.97 (strong acid)

    Molecular weight
    232.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    326°C

    Flash point est.
    162.62 ˚C

  • Synonyms

    • 4-ethyl-2,3,5,6,7-pentathiaoctane
    • WQGRDWGJZXYXLX-UHFFFAOYSA-N
    • 2,3,5,6,7-Pentathiaoctane, 4-ethyl

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 302.36
    methanol 197.62
    isopropanol 303.98
    water 0.11
    ethyl acetate 1226.77
    n-propanol 318.5
    acetone 2048.9
    n-butanol 350.71
    acetonitrile 767.91
    DMF 2755.78
    toluene 1842.58
    isobutanol 295.56
    1,4-dioxane 2853.51
    methyl acetate 1090.44
    THF 4232.32
    2-butanone 1387.45
    n-pentanol 266.04
    sec-butanol 301.18
    n-hexane 119.96
    ethylene glycol 65.92
    NMP 2885.12
    cyclohexane 709.67
    DMSO 2262.09
    n-butyl acetate 1330.95
    n-octanol 318.6
    chloroform 3401.91
    n-propyl acetate 806.27
    acetic acid 490.69
    dichloromethane 3040.86
    cyclohexanone 3898.59
    propylene glycol 111.4
    isopropyl acetate 833.05
    DMAc 1640.92
    2-ethoxyethanol 454.33
    isopentanol 325.17
    n-heptane 260.84
    ethyl formate 714.42
    1,2-dichloroethane 1971.56
    n-hexanol 423.17
    2-methoxyethanol 722.04
    isobutyl acetate 570.67
    tetrachloromethane 826.58
    n-pentyl acetate 830.62
    transcutol 1411.61
    n-heptanol 266.85
    ethylbenzene 561.51
    MIBK 834.28
    2-propoxyethanol 733.02
    tert-butanol 490.42
    MTBE 797.59
    2-butoxyethanol 462.74
    propionic acid 396.32
    o-xylene 845.82
    formic acid 71.06
    diethyl ether 861.62
    m-xylene 959.77
    p-xylene 728.17
    chlorobenzene 1966.69
    dimethyl carbonate 528.79
    n-octane 113.8
    formamide 189.12
    cyclopentanone 4207.61
    2-pentanone 1327.3
    anisole 1166.53
    cyclopentyl methyl ether 1905.52
    gamma-butyrolactone 3286.52
    1-methoxy-2-propanol 593.14
    pyridine 3179.86
    3-pentanone 1121.23
    furfural 3140.01
    n-dodecane 83.52
    diethylene glycol 431.95
    diisopropyl ether 391.48
    tert-amyl alcohol 379.83
    acetylacetone 2009.38
    n-hexadecane 102.55
    acetophenone 1125.36
    methyl propionate 929.72
    isopentyl acetate 1044.71
    trichloroethylene 4279.95
    n-nonanol 299.61
    cyclohexanol 838.47
    benzyl alcohol 673.73
    2-ethylhexanol 407.88
    isooctanol 235.31
    dipropyl ether 802.33
    1,2-dichlorobenzene 1638.81
    ethyl lactate 283.09
    propylene carbonate 1667.98
    n-methylformamide 672.63
    2-pentanol 276.86
    n-pentane 137.79
    1-propoxy-2-propanol 659.68
    1-methoxy-2-propyl acetate 1137.02
    2-(2-methoxypropoxy) propanol 489.64
    mesitylene 627.65
    ε-caprolactone 2276.34
    p-cymene 488.66
    epichlorohydrin 2978.34
    1,1,1-trichloroethane 2642.58
    2-aminoethanol 132.72
    morpholine-4-carbaldehyde 2798.74
    sulfolane 3905.43
    2,2,4-trimethylpentane 86.58
    2-methyltetrahydrofuran 2479.98
    n-hexyl acetate 918.57
    isooctane 86.43
    2-(2-butoxyethoxy)ethanol 657.64
    sec-butyl acetate 566.74
    tert-butyl acetate 1101.17
    decalin 234.66
    glycerin 165.83
    diglyme 1514.98
    acrylic acid 399.76
    isopropyl myristate 464.53
    n-butyric acid 680.02
    acetyl acetate 971.28
    di(2-ethylhexyl) phthalate 362.2
    ethyl propionate 669.4
    nitromethane 1427.29
    1,2-diethoxyethane 1084.46
    benzonitrile 1478.66
    trioctyl phosphate 280.28
    1-bromopropane 1078.0
    gamma-valerolactone 4365.83
    n-decanol 235.86
    triethyl phosphate 440.69
    4-methyl-2-pentanol 202.27
    propionitrile 639.13
    vinylene carbonate 1660.11
    1,1,2-trichlorotrifluoroethane 1458.35
    DMS 803.4
    cumene 336.29
    2-octanol 244.13
    2-hexanone 850.86
    octyl acetate 519.61
    limonene 825.76
    1,2-dimethoxyethane 1388.51
    ethyl orthosilicate 428.72
    tributyl phosphate 349.29
    diacetone alcohol 810.83
    N,N-dimethylaniline 741.21
    acrylonitrile 857.79
    aniline 1109.77
    1,3-propanediol 251.34
    bromobenzene 2518.1
    dibromomethane 1975.7
    1,1,2,2-tetrachloroethane 2954.53
    2-methyl-cyclohexyl acetate 790.9
    tetrabutyl urea 538.03
    diisobutyl methanol 345.9
    2-phenylethanol 755.6
    styrene 851.8
    dioctyl adipate 589.95
    dimethyl sulfate 902.77
    ethyl butyrate 937.06
    methyl lactate 344.67
    butyl lactate 464.09
    diethyl carbonate 610.12
    propanediol butyl ether 396.56
    triethyl orthoformate 678.2
    p-tert-butyltoluene 512.23
    methyl 4-tert-butylbenzoate 828.53
    morpholine 2397.95
    tert-butylamine 311.13
    n-dodecanol 201.55
    dimethoxymethane 1326.08
    ethylene carbonate 1342.31
    cyrene 802.88
    2-ethoxyethyl acetate 1038.75
    2-ethylhexyl acetate 991.35
    1,2,4-trichlorobenzene 1785.05
    4-methylpyridine 2887.54
    dibutyl ether 688.27
    2,6-dimethyl-4-heptanol 345.9
    DEF 1429.33
    dimethyl isosorbide 1438.72
    tetrachloroethylene 1844.11
    eugenol 662.91
    triacetin 851.06
    span 80 563.35
    1,4-butanediol 125.03
    1,1-dichloroethane 1933.38
    2-methyl-1-pentanol 260.48
    methyl formate 721.18
    2-methyl-1-butanol 303.82
    n-decane 139.76
    butyronitrile 772.67
    3,7-dimethyl-1-octanol 346.21
    1-chlorooctane 441.39
    1-chlorotetradecane 206.19
    n-nonane 146.34
    undecane 102.99
    tert-butylcyclohexane 171.07
    cyclooctane 290.85
    cyclopentanol 860.3
    tetrahydropyran 2684.01
    tert-amyl methyl ether 626.09
    2,5,8-trioxanonane 1017.61
    1-hexene 334.0
    2-isopropoxyethanol 375.92
    2,2,2-trifluoroethanol 220.57
    methyl butyrate 916.72

    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 0.26%
Scallion Allium fistulosum L. var. Caespitosum, fam. Liliaceae 0.08%