Trithiaheptane

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  • Identifiers

    Molecular formula
    C4H10S3

    SMILES
    CCCCSSS

  • Odor profile

    Onion 77.37%
    Sulfurous 73.22%
    Garlic 67.21%
    Alliaceous 56.68%
    Savory 48.77%
    Cooked 45.41%
    Roasted 44.27%
    Meaty 39.86%
    Pungent 39.21%
    Vegetable 32.14%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    Molecular weight
    154.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    222°C

    Flash point est.
    92.73 ˚C

  • Synonyms

    • trithiaheptane
    • SCHEMBL18558301

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 340.06
    methanol 211.47
    isopropanol 307.75
    water 0.09
    ethyl acetate 591.05
    n-propanol 304.82
    acetone 1287.43
    n-butanol 323.79
    acetonitrile 559.51
    DMF 1244.01
    toluene 699.65
    isobutanol 234.38
    1,4-dioxane 1353.71
    methyl acetate 569.62
    THF 2355.81
    2-butanone 879.57
    n-pentanol 235.22
    sec-butanol 270.72
    n-hexane 69.27
    ethylene glycol 59.09
    NMP 1033.69
    cyclohexane 328.63
    DMSO 1502.46
    n-butyl acetate 764.71
    n-octanol 214.01
    chloroform 1527.64
    n-propyl acetate 448.02
    acetic acid 407.16
    dichloromethane 1498.71
    cyclohexanone 1650.62
    propylene glycol 105.42
    isopropyl acetate 336.11
    DMAc 708.21
    2-ethoxyethanol 317.43
    isopentanol 252.39
    n-heptane 187.62
    ethyl formate 410.13
    1,2-dichloroethane 927.76
    n-hexanol 386.7
    2-methoxyethanol 510.28
    isobutyl acetate 295.47
    tetrachloromethane 290.81
    n-pentyl acetate 394.6
    transcutol 1151.76
    n-heptanol 182.54
    ethylbenzene 251.54
    MIBK 346.2
    2-propoxyethanol 485.09
    tert-butanol 408.56
    MTBE 411.67
    2-butoxyethanol 301.0
    propionic acid 296.84
    o-xylene 317.47
    formic acid 51.61
    diethyl ether 485.06
    m-xylene 345.71
    p-xylene 336.48
    chlorobenzene 744.15
    dimethyl carbonate 185.82
    n-octane 56.07
    formamide 119.29
    cyclopentanone 1795.57
    2-pentanone 721.03
    anisole 484.54
    cyclopentyl methyl ether 792.43
    gamma-butyrolactone 1286.25
    1-methoxy-2-propanol 405.69
    pyridine 1586.09
    3-pentanone 529.73
    furfural 1187.34
    n-dodecane 41.31
    diethylene glycol 268.36
    diisopropyl ether 163.19
    tert-amyl alcohol 295.27
    acetylacetone 797.33
    n-hexadecane 47.8
    acetophenone 465.65
    methyl propionate 425.37
    isopentyl acetate 557.04
    trichloroethylene 1905.25
    n-nonanol 188.71
    cyclohexanol 504.83
    benzyl alcohol 354.75
    2-ethylhexanol 305.07
    isooctanol 151.46
    dipropyl ether 530.65
    1,2-dichlorobenzene 542.57
    ethyl lactate 154.31
    propylene carbonate 663.57
    n-methylformamide 386.24
    2-pentanol 228.72
    n-pentane 84.96
    1-propoxy-2-propanol 488.32
    1-methoxy-2-propyl acetate 518.62
    2-(2-methoxypropoxy) propanol 300.29
    mesitylene 200.4
    ε-caprolactone 995.2
    p-cymene 231.29
    epichlorohydrin 1247.84
    1,1,1-trichloroethane 1001.45
    2-aminoethanol 116.35
    morpholine-4-carbaldehyde 1089.52
    sulfolane 1412.1
    2,2,4-trimethylpentane 37.39
    2-methyltetrahydrofuran 1296.98
    n-hexyl acetate 449.63
    isooctane 31.77
    2-(2-butoxyethoxy)ethanol 423.65
    sec-butyl acetate 275.59
    tert-butyl acetate 384.02
    decalin 84.98
    glycerin 132.0
    diglyme 941.43
    acrylic acid 275.96
    isopropyl myristate 206.91
    n-butyric acid 460.98
    acetyl acetate 381.56
    di(2-ethylhexyl) phthalate 177.35
    ethyl propionate 310.99
    nitromethane 773.9
    1,2-diethoxyethane 676.95
    benzonitrile 634.17
    trioctyl phosphate 138.25
    1-bromopropane 583.16
    gamma-valerolactone 1684.46
    n-decanol 147.23
    triethyl phosphate 199.26
    4-methyl-2-pentanol 124.74
    propionitrile 437.31
    vinylene carbonate 643.78
    1,1,2-trichlorotrifluoroethane 637.41
    DMS 304.74
    cumene 139.06
    2-octanol 145.8
    2-hexanone 528.82
    octyl acetate 245.74
    limonene 404.87
    1,2-dimethoxyethane 883.26
    ethyl orthosilicate 200.54
    tributyl phosphate 170.23
    diacetone alcohol 391.02
    N,N-dimethylaniline 279.28
    acrylonitrile 545.61
    aniline 519.47
    1,3-propanediol 203.95
    bromobenzene 856.86
    dibromomethane 1060.02
    1,1,2,2-tetrachloroethane 1235.91
    2-methyl-cyclohexyl acetate 376.16
    tetrabutyl urea 257.4
    diisobutyl methanol 204.7
    2-phenylethanol 376.9
    styrene 386.17
    dioctyl adipate 292.95
    dimethyl sulfate 292.22
    ethyl butyrate 510.68
    methyl lactate 177.12
    butyl lactate 259.43
    diethyl carbonate 302.3
    propanediol butyl ether 282.91
    triethyl orthoformate 350.36
    p-tert-butyltoluene 229.59
    methyl 4-tert-butylbenzoate 312.1
    morpholine 1368.12
    tert-butylamine 269.04
    n-dodecanol 122.61
    dimethoxymethane 603.96
    ethylene carbonate 521.33
    cyrene 344.0
    2-ethoxyethyl acetate 476.11
    2-ethylhexyl acetate 483.13
    1,2,4-trichlorobenzene 639.2
    4-methylpyridine 1312.22
    dibutyl ether 416.31
    2,6-dimethyl-4-heptanol 204.7
    DEF 630.15
    dimethyl isosorbide 615.53
    tetrachloroethylene 741.3
    eugenol 303.35
    triacetin 408.63
    span 80 352.19
    1,4-butanediol 99.12
    1,1-dichloroethane 901.22
    2-methyl-1-pentanol 195.95
    methyl formate 343.23
    2-methyl-1-butanol 232.86
    n-decane 71.14
    butyronitrile 537.65
    3,7-dimethyl-1-octanol 223.49
    1-chlorooctane 225.24
    1-chlorotetradecane 96.0
    n-nonane 74.92
    undecane 51.03
    tert-butylcyclohexane 61.97
    cyclooctane 105.79
    cyclopentanol 530.35
    tetrahydropyran 1497.13
    tert-amyl methyl ether 296.34
    2,5,8-trioxanonane 618.31
    1-hexene 241.28
    2-isopropoxyethanol 247.91
    2,2,2-trifluoroethanol 107.61
    methyl butyrate 475.05

    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