Diisopropyl trisulfide

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  • Identifiers

    CAS number
    5943-34-0

    Molecular formula
    C6H14S3

    SMILES
    CC(C)SSSC(C)C

  • Odor profile

    Sulfurous 90.34%
    Onion 79.04%
    Alliaceous 75.36%
    Garlic 69.86%
    Green 65.72%
    Meaty 60.59%
    Savory 59.08%
    Vegetable 57.64%
    Tropical 47.97%
    Roasted 45.83%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    Molecular weight
    182.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    234°C

    Flash point est.
    92.97 ˚C

    Solubility expt.

    • Insoluble in water; 1% soluble in heptane; soluble in triacetin
    • soluble (in ethanol)

  • Synonyms

    • Diisopropyl trisulfide
    • 5943-34-0
    • Diisopropyl trisulphide
    • 2-(propan-2-yltrisulfanyl)propane
    • UNII-4FQ8084070
    • EINECS 227-703-7
    • 2,6-dimethyl-3,4,5-trithiaheptane
    • ISOPROPYL TRISULFIDE
    • bis(propan-2-yl)trisulfane
    • 4FQ8084070
    • FEMA NO. 3968
    • DTXSID50208155
    • DIISOPROPYLTRISULFIDE
    • MFCD00040042
    • SCHEMBL3503167
    • DTXCID70130646
    • WUZSBMCRYUJOEU-UHFFFAOYSA-N
    • DIISOPROPYL TRISULFIDE[FHFI]
    • DIISOPROPYL TRISULFIDE [FHFI]
    • AKOS006272054
    • AS-57765
    • DB-003631
    • D4300
    • NS00046676
    • D90271
    • Q27259535

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 172.64
    methanol 95.88
    isopropanol 206.99
    water 0.15
    ethyl acetate 585.8
    n-propanol 203.96
    acetone 938.16
    n-butanol 243.58
    acetonitrile 296.29
    DMF 1100.7
    toluene 881.54
    isobutanol 202.06
    1,4-dioxane 1191.69
    methyl acetate 519.53
    THF 2761.0
    2-butanone 739.44
    n-pentanol 180.99
    sec-butanol 234.36
    n-hexane 169.95
    ethylene glycol 34.77
    NMP 2008.32
    cyclohexane 598.77
    DMSO 826.1
    n-butyl acetate 884.54
    n-octanol 294.61
    chloroform 1406.12
    n-propyl acetate 440.34
    acetic acid 235.28
    dichloromethane 1054.6
    cyclohexanone 2076.11
    propylene glycol 85.54
    isopropyl acetate 511.1
    DMAc 911.83
    2-ethoxyethanol 214.62
    isopentanol 237.24
    n-heptane 360.43
    ethyl formate 339.82
    1,2-dichloroethane 699.87
    n-hexanol 387.35
    2-methoxyethanol 331.26
    isobutyl acetate 373.52
    tetrachloromethane 358.08
    n-pentyl acetate 513.67
    transcutol 618.1
    n-heptanol 215.73
    ethylbenzene 422.01
    MIBK 538.27
    2-propoxyethanol 467.06
    tert-butanol 351.09
    MTBE 533.51
    2-butoxyethanol 273.59
    propionic acid 246.72
    o-xylene 584.15
    formic acid 29.92
    diethyl ether 472.44
    m-xylene 649.78
    p-xylene 585.22
    chlorobenzene 918.9
    dimethyl carbonate 307.05
    n-octane 138.05
    formamide 63.7
    cyclopentanone 2569.58
    2-pentanone 799.38
    anisole 670.24
    cyclopentyl methyl ether 1493.41
    gamma-butyrolactone 2021.57
    1-methoxy-2-propanol 364.89
    pyridine 1113.23
    3-pentanone 655.99
    furfural 1424.06
    n-dodecane 102.4
    diethylene glycol 218.13
    diisopropyl ether 287.12
    tert-amyl alcohol 321.92
    acetylacetone 1048.18
    n-hexadecane 124.7
    acetophenone 710.89
    methyl propionate 527.04
    isopentyl acetate 815.91
    trichloroethylene 1441.85
    n-nonanol 276.09
    cyclohexanol 634.94
    benzyl alcohol 375.62
    2-ethylhexanol 409.42
    isooctanol 206.23
    dipropyl ether 738.6
    1,2-dichlorobenzene 801.91
    ethyl lactate 209.06
    propylene carbonate 1258.6
    n-methylformamide 276.19
    2-pentanol 227.08
    n-pentane 155.45
    1-propoxy-2-propanol 516.02
    1-methoxy-2-propyl acetate 778.67
    2-(2-methoxypropoxy) propanol 378.5
    mesitylene 511.01
    ε-caprolactone 1414.15
    p-cymene 476.46
    epichlorohydrin 1429.26
    1,1,1-trichloroethane 1100.31
    2-aminoethanol 74.01
    morpholine-4-carbaldehyde 1337.15
    sulfolane 2576.96
    2,2,4-trimethylpentane 97.23
    2-methyltetrahydrofuran 1762.76
    n-hexyl acetate 718.71
    isooctane 95.77
    2-(2-butoxyethoxy)ethanol 419.34
    sec-butyl acetate 364.71
    tert-butyl acetate 709.53
    decalin 246.12
    glycerin 98.87
    diglyme 776.91
    acrylic acid 228.25
    isopropyl myristate 429.43
    n-butyric acid 423.81
    acetyl acetate 501.2
    di(2-ethylhexyl) phthalate 330.6
    ethyl propionate 417.0
    nitromethane 500.09
    1,2-diethoxyethane 560.78
    benzonitrile 726.68
    trioctyl phosphate 268.59
    1-bromopropane 576.96
    gamma-valerolactone 2090.13
    n-decanol 226.74
    triethyl phosphate 368.34
    4-methyl-2-pentanol 166.93
    propionitrile 315.19
    vinylene carbonate 929.99
    1,1,2-trichlorotrifluoroethane 749.51
    DMS 530.59
    cumene 288.14
    2-octanol 218.84
    2-hexanone 548.32
    octyl acetate 475.37
    limonene 833.94
    1,2-dimethoxyethane 628.42
    ethyl orthosilicate 347.23
    tributyl phosphate 331.61
    diacetone alcohol 561.09
    N,N-dimethylaniline 500.03
    acrylonitrile 355.44
    aniline 569.6
    1,3-propanediol 134.08
    bromobenzene 1105.65
    dibromomethane 866.42
    1,1,2,2-tetrachloroethane 1272.15
    2-methyl-cyclohexyl acetate 734.24
    tetrabutyl urea 510.75
    diisobutyl methanol 339.92
    2-phenylethanol 505.9
    styrene 549.43
    dioctyl adipate 555.05
    dimethyl sulfate 521.53
    ethyl butyrate 713.49
    methyl lactate 252.48
    butyl lactate 366.1
    diethyl carbonate 437.59
    propanediol butyl ether 289.36
    triethyl orthoformate 513.32
    p-tert-butyltoluene 509.98
    methyl 4-tert-butylbenzoate 622.96
    morpholine 1101.87
    tert-butylamine 256.21
    n-dodecanol 196.17
    dimethoxymethane 654.36
    ethylene carbonate 785.02
    cyrene 588.81
    2-ethoxyethyl acetate 525.53
    2-ethylhexyl acetate 755.74
    1,2,4-trichlorobenzene 974.71
    4-methylpyridine 1339.96
    dibutyl ether 569.08
    2,6-dimethyl-4-heptanol 339.92
    DEF 789.48
    dimethyl isosorbide 1141.26
    tetrachloroethylene 747.08
    eugenol 456.57
    triacetin 620.06
    span 80 485.48
    1,4-butanediol 71.48
    1,1-dichloroethane 789.08
    2-methyl-1-pentanol 185.7
    methyl formate 295.18
    2-methyl-1-butanol 228.21
    n-decane 168.09
    butyronitrile 424.78
    3,7-dimethyl-1-octanol 345.3
    1-chlorooctane 399.65
    1-chlorotetradecane 203.25
    n-nonane 176.71
    undecane 126.51
    tert-butylcyclohexane 196.14
    cyclooctane 296.33
    cyclopentanol 698.63
    tetrahydropyran 1493.45
    tert-amyl methyl ether 483.41
    2,5,8-trioxanonane 634.9
    1-hexene 323.5
    2-isopropoxyethanol 206.39
    2,2,2-trifluoroethanol 102.86
    methyl butyrate 570.3

    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