2,4,6-Triisobutyl-5,6-dihydro-4H-1,3,5-dithiazine

Overview IFRA Request a quote

  • Identifiers

    CAS number
    74595-94-1

    Molecular formula
    C15H31NS2

    SMILES
    CC(C)CC1NC(SC(S1)CC(C)C)CC(C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Roasted 71.24%
    Meaty 66.11%
    Nutty 59.15%
    Fatty 52.73%
    Savory 46.21%
    Cooked 39.87%
    Cocoa 38.13%
    Chocolate 37.7%
    Sulfurous 36.58%
    Beefy 31.69%

     

    Flavor
    Sulfurous 26.23%
    Roasted 25.03%
    Green 22.96%
    Yeasty 21.62%
    Tomato leaf 21.31%
    Bloody 21.15%
    Green pepper 21.07%
    Cedarleaf 20.86%
    Blackberry 20.78%
    Glue 20.67%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.4

    pKa est.
    5.9 (weak acid)

    Molecular weight
    289.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    346°C

    Flash point

    • 145.24 ˚C est.

    Solubility expt.

    • Soluble in propylene glycol, triacetin
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • 74595-94-1
    • TRIISOBUTYLDIHYDRODITHIAZINE
    • Dihydro-2,4,6-tris(2-methylpropyl)-4h-1,3,5-dithiazine
    • 2,4,6-TRIISOBUTYL-5,6-DIHYDRO-4H-1,3,5-DITHIAZINE
    • 2,4,6-tris(2-methylpropyl)-1,3,5-dithiazinane
    • DTXSID70996103
    • 2,4,6-triisobutyl-1,3,5-dithiazinane
    • Bacon dithiazine
    • SCHEMBL10522838
    • CHEBI:174061
    • RQGPQWUKHADVPF-UHFFFAOYSA-N
    • DTXCID201436367
    • AKOS015898802
    • FT41560
    • NS00010140
    • 2,4,6-Triisobutyl-5,6-dihydro-1,3,5-dithiazine
    • 2,4,6-tri-(2-methylpropyl) tetrahydro-1,3,5-dithiazine
    • 2,4,6-TRIISOBUTYL-5,6-DIHYDRO-4H-1,3,5-DITHIAZINE [FHFI]
    • 457-290-0

  • Applications

    Bacon dithiazine (CAS 74595-94-1) is a heterocyclic molecule containing two sulfur and two nitrogen atoms that reacts swiftly with hydrogen sulfide and thiols, making it a preferred H₂S scavenger in oil- and gas-production wells, pipelines and storage tanks; it also serves as a corrosion inhibitor for carbon steel, an antioxidant additive for industrial lubricants, and a synthetic intermediate for crop-protection agents, biocides and certain pharmaceuticals; moreover, because it is miscible with both water and hydrocarbons and forms protective metal-binding films, Bacon dithiazine is employed in treating sulfide-rich wastewater, prolonging heat-exchange equipment life, stabilising marine fuels and acting as a versatile building block in high-performance polymer manufacture, underscoring the broad industrial relevance of this dithiazine scaffold.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 285.34
    methanol 158.78
    isopropanol 344.61
    water 0.43
    ethyl acetate 611.53
    n-propanol 386.96
    acetone 806.6
    n-butanol 451.21
    acetonitrile 203.25
    DMF 728.96
    toluene 640.2
    isobutanol 417.57
    1,4-dioxane 1003.94
    methyl acetate 487.72
    THF 2696.89
    2-butanone 728.88
    n-pentanol 342.61
    sec-butanol 417.96
    n-hexane 241.31
    ethylene glycol 47.92
    NMP 1616.65
    cyclohexane 566.98
    DMSO 730.51
    n-butyl acetate 1079.73
    n-octanol 582.28
    chloroform 1679.47
    n-propyl acetate 582.68
    acetic acid 476.93
    dichloromethane 1087.45
    cyclohexanone 2045.71
    propylene glycol 146.3
    isopropyl acetate 601.44
    DMAc 772.45
    2-ethoxyethanol 327.15
    isopentanol 454.97
    n-heptane 416.97
    ethyl formate 377.98
    1,2-dichloroethane 783.26
    n-hexanol 772.89
    2-methoxyethanol 424.03
    isobutyl acetate 596.55
    tetrachloromethane 390.5
    n-pentyl acetate 855.42
    transcutol 1179.8
    n-heptanol 514.01
    ethylbenzene 316.44
    MIBK 608.64
    2-propoxyethanol 753.7
    tert-butanol 498.7
    MTBE 640.1
    2-butoxyethanol 618.2
    propionic acid 425.77
    o-xylene 446.01
    formic acid 66.82
    diethyl ether 520.77
    m-xylene 521.5
    p-xylene 494.56
    chlorobenzene 763.99
    dimethyl carbonate 252.28
    n-octane 168.03
    formamide 80.89
    cyclopentanone 2247.02
    2-pentanone 825.03
    anisole 418.4
    cyclopentyl methyl ether 1519.3
    gamma-butyrolactone 1966.57
    1-methoxy-2-propanol 497.44
    pyridine 860.71
    3-pentanone 640.99
    furfural 1223.58
    n-dodecane 102.49
    diethylene glycol 319.82
    diisopropyl ether 359.58
    tert-amyl alcohol 509.88
    acetylacetone 866.05
    n-hexadecane 120.74
    acetophenone 530.34
    methyl propionate 520.46
    isopentyl acetate 1081.29
    trichloroethylene 1591.63
    n-nonanol 528.24
    cyclohexanol 986.31
    benzyl alcohol 389.05
    2-ethylhexanol 695.24
    isooctanol 441.17
    dipropyl ether 835.81
    1,2-dichlorobenzene 661.12
    ethyl lactate 285.13
    propylene carbonate 1262.24
    n-methylformamide 257.85
    2-pentanol 441.74
    n-pentane 220.55
    1-propoxy-2-propanol 855.71
    1-methoxy-2-propyl acetate 881.44
    2-(2-methoxypropoxy) propanol 476.95
    mesitylene 383.42
    ε-caprolactone 1533.88
    p-cymene 427.86
    epichlorohydrin 1423.03
    1,1,1-trichloroethane 1065.41
    2-aminoethanol 128.7
    morpholine-4-carbaldehyde 1115.3
    sulfolane 2272.09
    2,2,4-trimethylpentane 157.95
    2-methyltetrahydrofuran 1848.29
    n-hexyl acetate 1115.12
    isooctane 118.75
    2-(2-butoxyethoxy)ethanol 663.16
    sec-butyl acetate 488.43
    tert-butyl acetate 763.26
    decalin 215.09
    glycerin 171.42
    diglyme 1119.19
    acrylic acid 325.74
    isopropyl myristate 478.38
    n-butyric acid 785.5
    acetyl acetate 493.28
    di(2-ethylhexyl) phthalate 361.94
    ethyl propionate 441.32
    nitromethane 517.1
    1,2-diethoxyethane 677.39
    benzonitrile 547.82
    trioctyl phosphate 358.14
    1-bromopropane 646.74
    gamma-valerolactone 2002.77
    n-decanol 391.3
    triethyl phosphate 358.08
    4-methyl-2-pentanol 323.83
    propionitrile 269.13
    vinylene carbonate 854.86
    1,1,2-trichlorotrifluoroethane 912.73
    DMS 508.79
    cumene 271.37
    2-octanol 440.83
    2-hexanone 643.73
    octyl acetate 599.46
    limonene 757.86
    1,2-dimethoxyethane 627.96
    ethyl orthosilicate 387.73
    tributyl phosphate 389.25
    diacetone alcohol 673.84
    N,N-dimethylaniline 358.0
    acrylonitrile 251.77
    aniline 586.47
    1,3-propanediol 236.89
    bromobenzene 835.55
    dibromomethane 920.1
    1,1,2,2-tetrachloroethane 1497.11
    2-methyl-cyclohexyl acetate 768.75
    tetrabutyl urea 501.17
    diisobutyl methanol 474.04
    2-phenylethanol 546.89
    styrene 350.95
    dioctyl adipate 551.81
    dimethyl sulfate 407.1
    ethyl butyrate 711.07
    methyl lactate 305.29
    butyl lactate 632.25
    diethyl carbonate 415.23
    propanediol butyl ether 608.94
    triethyl orthoformate 627.9
    p-tert-butyltoluene 444.63
    methyl 4-tert-butylbenzoate 628.31
    morpholine 1072.82
    tert-butylamine 372.22
    n-dodecanol 304.34
    dimethoxymethane 536.3
    ethylene carbonate 837.98
    cyrene 557.05
    2-ethoxyethyl acetate 763.51
    2-ethylhexyl acetate 973.64
    1,2,4-trichlorobenzene 856.67
    4-methylpyridine 1026.17
    dibutyl ether 726.35
    2,6-dimethyl-4-heptanol 474.04
    DEF 720.37
    dimethyl isosorbide 1020.22
    tetrachloroethylene 935.79
    eugenol 482.1
    triacetin 738.29
    span 80 640.24
    1,4-butanediol 131.28
    1,1-dichloroethane 854.94
    2-methyl-1-pentanol 369.33
    methyl formate 256.6
    2-methyl-1-butanol 468.68
    n-decane 199.65
    butyronitrile 391.01
    3,7-dimethyl-1-octanol 538.99
    1-chlorooctane 574.17
    1-chlorotetradecane 224.14
    n-nonane 214.96
    undecane 136.88
    tert-butylcyclohexane 197.83
    cyclooctane 281.99
    cyclopentanol 971.64
    tetrahydropyran 1558.03
    tert-amyl methyl ether 615.21
    2,5,8-trioxanonane 717.83
    1-hexene 420.69
    2-isopropoxyethanol 332.35
    2,2,2-trifluoroethanol 200.84
    methyl butyrate 625.48

    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