3,5-Diisobutyl-1,2,4-trithiolane

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  • Identifiers

    CAS number
    92900-67-9

    Molecular formula
    C10H20S3

    SMILES
    CC(C)CC1SC(SS1)CC(C)C

  • Odor profile

    Fragrance
    Roasted 63.32%
    Meaty 57.72%
    Nutty 53.58%
    Sulfurous 47.77%
    Onion 41.01%
    Savory 40.91%
    Cooked 38.66%
    Fatty 38.54%
    Cocoa 30.26%
    Alliaceous 28.39%

     

    Flavor
    Sulfurous 34.71%
    Roasted 24.97%
    Green 24.07%
    Meaty 23.74%
    Bloody 21.25%
    Blackberry 21.16%
    Yeasty 21.11%
    Tomato leaf 21.11%
    Glue 20.94%
    Skunky 20.87%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    4.99 (weak acid)

    Molecular weight
    236.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    302°C

    Flash point

    • 140.88 ˚C est.

  • Synonyms

    • 3,5-DIISOBUTYL-1,2,4-TRITHIOLANE
    • 92900-67-9
    • 3,5-bis(2-methylpropyl)-1,2,4-Trithiolane
    • SCHEMBL4940532
    • DTXSID90617909
    • KDWIVNVANGCLCA-UHFFFAOYSA-N
    • 2,5-Diisobutyl-1,3,4-trithiolane
    • AKOS015950889
    • DB-313152
    • NS00122788
    • 3,5-di-(-2-methylpropyl)-1,2,4-trithiolane

  • Applications

    3,5-Diisobutyl-1,2,4-trithiolane (CAS 92900-67-9) is a specialty sulfur-containing compound with potential applications in fragrance-related materials and specialty chemistry. In perfumery and cosmetics, it may be used as an odorant ingredient or fragrance component, contributing sulfur notes and potentially acting as a fragrance fixative in complex formulations. In industrial manufacturing, it can serve as an intermediate or building block for the synthesis of sulfur-containing compounds. In polymers/plastics and coatings, it may be explored as a reactive precursor or additive associated with sulfur chemistry. In adhesives and sealants, it can function as a reactive component in tailored formulations. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 388.83
    methanol 171.22
    isopropanol 557.95
    water 0.18
    ethyl acetate 1650.25
    n-propanol 539.83
    acetone 2182.34
    n-butanol 719.55
    acetonitrile 686.29
    DMF 2101.82
    toluene 2253.48
    isobutanol 627.3
    1,4-dioxane 2761.89
    methyl acetate 1363.67
    THF 6420.85
    2-butanone 1949.55
    n-pentanol 518.93
    sec-butanol 698.14
    n-hexane 496.17
    ethylene glycol 89.13
    NMP 3281.04
    cyclohexane 1381.2
    DMSO 1556.6
    n-butyl acetate 2021.48
    n-octanol 906.87
    chloroform 4153.05
    n-propyl acetate 1153.12
    acetic acid 511.07
    dichloromethane 3097.35
    cyclohexanone 4632.04
    propylene glycol 245.74
    isopropyl acetate 1559.95
    DMAc 1752.58
    2-ethoxyethanol 570.39
    isopentanol 804.68
    n-heptane 716.61
    ethyl formate 885.26
    1,2-dichloroethane 2266.69
    n-hexanol 1132.78
    2-methoxyethanol 832.46
    isobutyl acetate 1113.35
    tetrachloromethane 875.64
    n-pentyl acetate 1445.5
    transcutol 1876.77
    n-heptanol 699.01
    ethylbenzene 979.52
    MIBK 1594.47
    2-propoxyethanol 1257.8
    tert-butanol 917.63
    MTBE 1644.53
    2-butoxyethanol 887.19
    propionic acid 628.03
    o-xylene 1282.78
    formic acid 62.01
    diethyl ether 1396.69
    m-xylene 1617.32
    p-xylene 1309.08
    chlorobenzene 2389.05
    dimethyl carbonate 774.46
    n-octane 342.45
    formamide 124.89
    cyclopentanone 5558.48
    2-pentanone 2227.98
    anisole 1392.05
    cyclopentyl methyl ether 3706.07
    gamma-butyrolactone 4203.51
    1-methoxy-2-propanol 1051.61
    pyridine 2689.48
    3-pentanone 1688.84
    furfural 3044.3
    n-dodecane 255.51
    diethylene glycol 617.25
    diisopropyl ether 875.29
    tert-amyl alcohol 883.99
    acetylacetone 2589.91
    n-hexadecane 312.72
    acetophenone 1405.9
    methyl propionate 1411.63
    isopentyl acetate 2105.99
    trichloroethylene 4450.9
    n-nonanol 811.01
    cyclohexanol 1708.56
    benzyl alcohol 913.09
    2-ethylhexanol 1079.19
    isooctanol 642.39
    dipropyl ether 1581.22
    1,2-dichlorobenzene 1871.26
    ethyl lactate 533.26
    propylene carbonate 2730.54
    n-methylformamide 599.58
    2-pentanol 761.02
    n-pentane 462.41
    1-propoxy-2-propanol 1312.37
    1-methoxy-2-propyl acetate 1964.45
    2-(2-methoxypropoxy) propanol 854.03
    mesitylene 1164.17
    ε-caprolactone 3275.82
    p-cymene 908.5
    epichlorohydrin 3807.36
    1,1,1-trichloroethane 3057.63
    2-aminoethanol 188.8
    morpholine-4-carbaldehyde 2575.07
    sulfolane 4751.48
    2,2,4-trimethylpentane 295.44
    2-methyltetrahydrofuran 4392.76
    n-hexyl acetate 1994.56
    isooctane 277.32
    2-(2-butoxyethoxy)ethanol 1093.9
    sec-butyl acetate 1082.56
    tert-butyl acetate 1938.57
    decalin 535.34
    glycerin 290.43
    diglyme 2035.75
    acrylic acid 518.28
    isopropyl myristate 965.02
    n-butyric acid 1179.0
    acetyl acetate 1303.46
    di(2-ethylhexyl) phthalate 651.14
    ethyl propionate 1115.96
    nitromethane 1090.64
    1,2-diethoxyethane 1332.91
    benzonitrile 1555.97
    trioctyl phosphate 574.66
    1-bromopropane 1816.94
    gamma-valerolactone 4699.87
    n-decanol 627.84
    triethyl phosphate 678.74
    4-methyl-2-pentanol 581.62
    propionitrile 841.55
    vinylene carbonate 1879.06
    1,1,2-trichlorotrifluoroethane 1917.71
    DMS 1201.96
    cumene 645.16
    2-octanol 657.92
    2-hexanone 1384.48
    octyl acetate 1109.53
    limonene 1562.43
    1,2-dimethoxyethane 1545.2
    ethyl orthosilicate 692.83
    tributyl phosphate 662.67
    diacetone alcohol 1520.51
    N,N-dimethylaniline 1001.95
    acrylonitrile 840.18
    aniline 1457.06
    1,3-propanediol 374.9
    bromobenzene 2974.3
    dibromomethane 2439.22
    1,1,2,2-tetrachloroethane 3850.78
    2-methyl-cyclohexyl acetate 1418.39
    tetrabutyl urea 880.95
    diisobutyl methanol 798.74
    2-phenylethanol 1183.27
    styrene 1209.5
    dioctyl adipate 1083.8
    dimethyl sulfate 1185.0
    ethyl butyrate 1473.74
    methyl lactate 668.12
    butyl lactate 931.15
    diethyl carbonate 919.33
    propanediol butyl ether 898.66
    triethyl orthoformate 1081.46
    p-tert-butyltoluene 952.67
    methyl 4-tert-butylbenzoate 1259.2
    morpholine 2700.63
    tert-butylamine 693.56
    n-dodecanol 518.66
    dimethoxymethane 1524.92
    ethylene carbonate 1726.26
    cyrene 1120.41
    2-ethoxyethyl acetate 1480.88
    2-ethylhexyl acetate 1854.12
    1,2,4-trichlorobenzene 2236.1
    4-methylpyridine 3198.61
    dibutyl ether 1481.8
    2,6-dimethyl-4-heptanol 798.74
    DEF 1853.94
    dimethyl isosorbide 2051.9
    tetrachloroethylene 2001.28
    eugenol 955.12
    triacetin 1477.55
    span 80 1050.79
    1,4-butanediol 207.75
    1,1-dichloroethane 2456.18
    2-methyl-1-pentanol 571.34
    methyl formate 663.18
    2-methyl-1-butanol 734.88
    n-decane 430.19
    butyronitrile 1124.96
    3,7-dimethyl-1-octanol 928.25
    1-chlorooctane 1129.85
    1-chlorotetradecane 498.67
    n-nonane 457.51
    undecane 323.29
    tert-butylcyclohexane 460.36
    cyclooctane 688.75
    cyclopentanol 1738.9
    tetrahydropyran 3780.49
    tert-amyl methyl ether 1396.58
    2,5,8-trioxanonane 1323.3
    1-hexene 933.92
    2-isopropoxyethanol 591.04
    2,2,2-trifluoroethanol 255.02
    methyl butyrate 1415.88

    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