trans-5,7-Diethyl-1,2,3,4,6-pentathiepane

Overview IFRA Botanical Request a quote

  • Identifiers

    SMILES
    CC[C@@H]1SSSS[C@@H](CC)S1

  • Odor profile

    Sulfurous 78.88%
    Onion 58.22%
    Roasted 55.37%
    Meaty 53.86%
    Garlic 48.74%
    Alliaceous 45.35%
    Cooked 41.77%
    Savory 40.99%
    Beefy 31.07%
    Mushroom 29.11%

    Scent© AI

  • Properties

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    366°C

    Flash point est.
    168.78 ˚C

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 108.36
    methanol 90.37
    isopropanol 99.49
    water 0.27
    ethyl acetate 452.06
    n-propanol 108.61
    acetone 942.96
    n-butanol 104.62
    acetonitrile 282.24
    DMF 2757.11
    toluene 549.45
    isobutanol 96.17
    1,4-dioxane 1118.73
    methyl acetate 570.31
    THF 1739.01
    2-butanone 690.79
    n-pentanol 92.1
    sec-butanol 96.11
    n-hexane 20.15
    ethylene glycol 56.59
    NMP 2934.74
    cyclohexane 100.97
    DMSO 1580.55
    n-butyl acetate 481.92
    n-octanol 118.08
    chloroform 1324.26
    n-propyl acetate 362.39
    acetic acid 226.19
    dichloromethane 1377.46
    cyclohexanone 1716.42
    propylene glycol 63.32
    isopropyl acetate 335.66
    DMAc 1648.73
    2-ethoxyethanol 212.66
    isopentanol 96.84
    n-heptane 46.96
    ethyl formate 421.18
    1,2-dichloroethane 924.85
    n-hexanol 133.92
    2-methoxyethanol 370.1
    isobutyl acetate 262.42
    tetrachloromethane 305.23
    n-pentyl acetate 390.9
    transcutol 395.04
    n-heptanol 105.9
    ethylbenzene 216.27
    MIBK 343.06
    2-propoxyethanol 304.11
    tert-butanol 141.04
    MTBE 236.32
    2-butoxyethanol 217.88
    propionic acid 207.09
    o-xylene 347.25
    formic acid 54.67
    diethyl ether 231.79
    m-xylene 340.52
    p-xylene 334.73
    chlorobenzene 949.77
    dimethyl carbonate 417.55
    n-octane 31.76
    formamide 153.76
    cyclopentanone 2336.92
    2-pentanone 547.47
    anisole 561.27
    cyclopentyl methyl ether 654.95
    gamma-butyrolactone 2207.35
    1-methoxy-2-propanol 275.78
    pyridine 1392.47
    3-pentanone 532.44
    furfural 2502.98
    n-dodecane 31.78
    diethylene glycol 224.72
    diisopropyl ether 111.93
    tert-amyl alcohol 121.37
    acetylacetone 1074.59
    n-hexadecane 39.02
    acetophenone 678.22
    methyl propionate 491.18
    isopentyl acetate 411.9
    trichloroethylene 2155.3
    n-nonanol 117.75
    cyclohexanol 226.15
    benzyl alcohol 359.64
    2-ethylhexanol 139.13
    isooctanol 96.54
    dipropyl ether 243.95
    1,2-dichlorobenzene 987.15
    ethyl lactate 173.34
    propylene carbonate 1123.41
    n-methylformamide 615.8
    2-pentanol 77.56
    n-pentane 23.27
    1-propoxy-2-propanol 251.82
    1-methoxy-2-propyl acetate 531.75
    2-(2-methoxypropoxy) propanol 229.38
    mesitylene 256.66
    ε-caprolactone 1129.34
    p-cymene 211.52
    epichlorohydrin 1664.43
    1,1,1-trichloroethane 1046.42
    2-aminoethanol 76.8
    morpholine-4-carbaldehyde 2229.81
    sulfolane 3239.16
    2,2,4-trimethylpentane 21.05
    2-methyltetrahydrofuran 903.31
    n-hexyl acetate 397.57
    isooctane 20.04
    2-(2-butoxyethoxy)ethanol 272.3
    sec-butyl acetate 241.97
    tert-butyl acetate 431.6
    decalin 59.21
    glycerin 119.85
    diglyme 731.82
    acrylic acid 269.52
    isopropyl myristate 220.4
    n-butyric acid 267.2
    acetyl acetate 472.12
    di(2-ethylhexyl) phthalate 218.55
    ethyl propionate 330.75
    nitromethane 909.97
    1,2-diethoxyethane 367.25
    benzonitrile 795.15
    trioctyl phosphate 161.98
    1-bromopropane 342.82
    gamma-valerolactone 2724.51
    n-decanol 98.87
    triethyl phosphate 244.63
    4-methyl-2-pentanol 60.42
    propionitrile 247.59
    vinylene carbonate 1210.82
    1,1,2-trichlorotrifluoroethane 992.95
    DMS 529.87
    cumene 145.86
    2-octanol 96.65
    2-hexanone 396.03
    octyl acetate 252.11
    limonene 306.76
    1,2-dimethoxyethane 669.16
    ethyl orthosilicate 211.78
    tributyl phosphate 193.87
    diacetone alcohol 371.27
    N,N-dimethylaniline 381.45
    acrylonitrile 449.11
    aniline 421.87
    1,3-propanediol 120.66
    bromobenzene 1167.53
    dibromomethane 740.16
    1,1,2,2-tetrachloroethane 1437.52
    2-methyl-cyclohexyl acetate 366.56
    tetrabutyl urea 322.31
    diisobutyl methanol 113.74
    2-phenylethanol 355.23
    styrene 338.62
    dioctyl adipate 328.04
    dimethyl sulfate 934.48
    ethyl butyrate 407.09
    methyl lactate 244.87
    butyl lactate 248.24
    diethyl carbonate 300.97
    propanediol butyl ether 175.1
    triethyl orthoformate 293.27
    p-tert-butyltoluene 216.02
    methyl 4-tert-butylbenzoate 472.77
    morpholine 909.44
    tert-butylamine 83.73
    n-dodecanol 85.57
    dimethoxymethane 803.62
    ethylene carbonate 872.74
    cyrene 548.63
    2-ethoxyethyl acetate 511.94
    2-ethylhexyl acetate 389.39
    1,2,4-trichlorobenzene 1182.31
    4-methylpyridine 1317.47
    dibutyl ether 225.33
    2,6-dimethyl-4-heptanol 113.74
    DEF 788.25
    dimethyl isosorbide 764.13
    tetrachloroethylene 842.6
    eugenol 406.86
    triacetin 464.76
    span 80 262.64
    1,4-butanediol 72.32
    1,1-dichloroethane 704.81
    2-methyl-1-pentanol 88.98
    methyl formate 665.07
    2-methyl-1-butanol 92.79
    n-decane 45.24
    butyronitrile 262.43
    3,7-dimethyl-1-octanol 122.28
    1-chlorooctane 165.54
    1-chlorotetradecane 89.03
    n-nonane 40.17
    undecane 37.54
    tert-butylcyclohexane 43.87
    cyclooctane 44.29
    cyclopentanol 315.17
    tetrahydropyran 745.2
    tert-amyl methyl ether 201.12
    2,5,8-trioxanonane 492.47
    1-hexene 75.39
    2-isopropoxyethanol 166.18
    2,2,2-trifluoroethanol 157.15
    methyl butyrate 486.82

    Scent© AI

1 3

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 0.11%