Thiocaprolactam

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  • Identifiers

    CAS number
    7203-96-5

    Molecular formula
    C6H11NS

    SMILES
    C1CCC(=S)NCC1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Roasted 42.8%
    Meaty 40.33%
    Fishy 39.49%
    Nutty 34.68%
    Popcorn 30.69%
    Burnt 28.48%
    Cheesy 28.04%
    Animal 27.62%
    Sulfurous 27.46%
    Cooked 27.41%

     

    Flavor
    Bitter 52.99%
    Animal 34.4%
    Amine 34.15%
    Spicy 31.59%
    Ammoniacal 30.85%
    Shrimp 25.99%
    Alkaline 25.78%
    Roasted 24.16%
    Floral 23.09%
    Others 22.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    9.61 (weak base)

    Molecular weight
    129.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    312°C

    Flash point

    • 79.86 ˚C est.

  • Synonyms

    • azepane-2-thione
    • Thiocaprolactam
    • Hexahydro-2H-azepine-2-thione
    • epsilon-Thiocaprolactam
    • .epsilon.-Caprothiolactam
    • .epsilon.-Thiocaprolactam
    • .omega.-Thiocaprolactam
    • 2H-Azepine-2-thione, hexahydro-
    • epsilon-Caprothiolactam
    • cis-Hexahydro-2-azepinethione
    • 2-AZEPINETHIONE, HEXAHYDRO-, (Z)-
    • omega-Thiocaprolactam
    • NSC 14023
    • AP7T5FNH9W
    • EINECS 230-572-9
    • PERHYDROAZEPINE-2-THIONE
    • 1-AZA-2-CYCLOHEPTANETHIONE
    • UNII-AP7T5FNH9W
    • NSC-14023
    • DTXSID60222342
    • RefChem:189431
    • DTXCID60144833
    • 2H-Azepine-2-thione, hexahydro-(8CI)
    • 2H-Azepine-2-thione, hexahydro-(8CI)(9CI)
    • APLHDUWNMGJBFD-UHFFFAOYSA-N
    • 7203-96-5
    • 2-Thioxohexamethyleneimine
    • 2-Azepanethione
    • NSC14023
    • ?-Thiocaprolactam
    • |A-Thiocaprolactam
    • 2-Azepanethione #
    • azaperhydroepine-2-thione
    • Hexahydro-2-azepinethione
    • omega-Thiocaprolactam, 98%
    • SCHEMBL109415
    • SCHEMBL11635955
    • NSC816944
    • STK301578
    • AKOS003791195
    • BS-3770
    • NSC-816944
    • 3,4,5,6-tetrahydro-2H-azepine-7-thiol
    • DB-055598
    • NS00037319
    • ST45061296
    • T1297
    • 7203-96-5

  • Applications

    Thiocaprolactam (CAS 7203-96-5) is primarily used as an intermediate in organic synthesis and as a building block for sulfur-containing polymers and specialty resins. In polymers and plastics, it is often explored as a monomer or co-monomer for high-performance polyamide-like materials. In coatings and inks, it serves as a reactive building block or crosslinking component to tailor film properties. In adhesives formulations, it can function as a reactive monomer contributing to cure and adhesion. The substance is commonly evaluated for other specialty chemical applications, with use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 287.02
    methanol 636.45
    isopropanol 144.39
    water 2.51
    ethyl acetate 220.25
    n-propanol 201.84
    acetone 603.03
    n-butanol 168.24
    acetonitrile 352.37
    DMF 855.75
    toluene 129.24
    isobutanol 107.66
    1,4-dioxane 491.53
    methyl acetate 220.67
    THF 650.15
    2-butanone 299.97
    n-pentanol 115.91
    sec-butanol 109.13
    n-hexane 4.97
    ethylene glycol 126.41
    NMP 622.8
    cyclohexane 17.07
    DMSO 1162.59
    n-butyl acetate 171.77
    n-octanol 62.04
    chloroform 833.98
    n-propyl acetate 122.08
    acetic acid 500.24
    dichloromethane 613.02
    cyclohexanone 427.7
    propylene glycol 129.57
    isopropyl acetate 105.87
    DMAc 491.87
    2-ethoxyethanol 211.57
    isopentanol 116.95
    n-heptane 13.14
    ethyl formate 219.92
    1,2-dichloroethane 318.89
    n-hexanol 119.69
    2-methoxyethanol 394.09
    isobutyl acetate 78.2
    tetrachloromethane 104.79
    n-pentyl acetate 111.88
    transcutol 598.71
    n-heptanol 69.17
    ethylbenzene 31.83
    MIBK 102.77
    2-propoxyethanol 242.25
    tert-butanol 132.21
    MTBE 93.69
    2-butoxyethanol 151.11
    propionic acid 242.36
    o-xylene 62.24
    formic acid 245.58
    diethyl ether 156.9
    m-xylene 63.77
    p-xylene 50.84
    chlorobenzene 255.28
    dimethyl carbonate 99.25
    n-octane 5.64
    formamide 302.14
    cyclopentanone 633.84
    2-pentanone 228.5
    anisole 115.03
    cyclopentyl methyl ether 186.01
    gamma-butyrolactone 605.02
    1-methoxy-2-propanol 250.61
    pyridine 619.45
    3-pentanone 165.24
    furfural 651.55
    n-dodecane 5.7
    diethylene glycol 241.42
    diisopropyl ether 32.82
    tert-amyl alcohol 95.81
    acetylacetone 261.65
    n-hexadecane 6.47
    acetophenone 121.92
    methyl propionate 170.73
    isopentyl acetate 113.27
    trichloroethylene 705.52
    n-nonanol 54.63
    cyclohexanol 127.58
    benzyl alcohol 127.29
    2-ethylhexanol 67.14
    isooctanol 51.16
    dipropyl ether 87.88
    1,2-dichlorobenzene 174.44
    ethyl lactate 71.25
    propylene carbonate 278.83
    n-methylformamide 439.22
    2-pentanol 82.53
    n-pentane 7.95
    1-propoxy-2-propanol 164.59
    1-methoxy-2-propyl acetate 146.65
    2-(2-methoxypropoxy) propanol 130.35
    mesitylene 36.05
    ε-caprolactone 300.93
    p-cymene 36.5
    epichlorohydrin 453.06
    1,1,1-trichloroethane 271.51
    2-aminoethanol 178.73
    morpholine-4-carbaldehyde 512.23
    sulfolane 644.89
    2,2,4-trimethylpentane 6.35
    2-methyltetrahydrofuran 317.96
    n-hexyl acetate 111.51
    isooctane 4.9
    2-(2-butoxyethoxy)ethanol 185.78
    sec-butyl acetate 67.96
    tert-butyl acetate 98.99
    decalin 8.31
    glycerin 205.32
    diglyme 356.64
    acrylic acid 280.15
    isopropyl myristate 46.53
    n-butyric acid 296.29
    acetyl acetate 167.16
    di(2-ethylhexyl) phthalate 62.05
    ethyl propionate 88.2
    nitromethane 793.51
    1,2-diethoxyethane 194.66
    benzonitrile 250.28
    trioctyl phosphate 42.49
    1-bromopropane 142.91
    gamma-valerolactone 633.14
    n-decanol 42.34
    triethyl phosphate 54.09
    4-methyl-2-pentanol 48.84
    propionitrile 238.63
    vinylene carbonate 298.31
    1,1,2-trichlorotrifluoroethane 393.47
    DMS 103.47
    cumene 24.0
    2-octanol 43.27
    2-hexanone 130.95
    octyl acetate 61.65
    limonene 53.09
    1,2-dimethoxyethane 302.14
    ethyl orthosilicate 53.89
    tributyl phosphate 51.28
    diacetone alcohol 129.2
    N,N-dimethylaniline 73.82
    acrylonitrile 351.57
    aniline 207.11
    1,3-propanediol 212.29
    bromobenzene 242.18
    dibromomethane 356.8
    1,1,2,2-tetrachloroethane 480.79
    2-methyl-cyclohexyl acetate 75.14
    tetrabutyl urea 68.81
    diisobutyl methanol 42.77
    2-phenylethanol 115.82
    styrene 58.16
    dioctyl adipate 75.77
    dimethyl sulfate 186.59
    ethyl butyrate 103.0
    methyl lactate 116.97
    butyl lactate 92.3
    diethyl carbonate 70.13
    propanediol butyl ether 150.15
    triethyl orthoformate 80.43
    p-tert-butyltoluene 36.37
    methyl 4-tert-butylbenzoate 107.11
    morpholine 473.12
    tert-butylamine 70.86
    n-dodecanol 34.36
    dimethoxymethane 283.69
    ethylene carbonate 228.69
    cyrene 147.53
    2-ethoxyethyl acetate 162.91
    2-ethylhexyl acetate 93.43
    1,2,4-trichlorobenzene 214.59
    4-methylpyridine 402.48
    dibutyl ether 71.04
    2,6-dimethyl-4-heptanol 42.77
    DEF 242.5
    dimethyl isosorbide 204.64
    tetrachloroethylene 335.58
    eugenol 114.73
    triacetin 134.13
    span 80 126.49
    1,4-butanediol 97.8
    1,1-dichloroethane 300.31
    2-methyl-1-pentanol 81.75
    methyl formate 284.13
    2-methyl-1-butanol 100.36
    n-decane 8.74
    butyronitrile 242.92
    3,7-dimethyl-1-octanol 55.31
    1-chlorooctane 36.49
    1-chlorotetradecane 17.5
    n-nonane 7.68
    undecane 6.75
    tert-butylcyclohexane 7.43
    cyclooctane 6.34
    cyclopentanol 178.88
    tetrahydropyran 356.24
    tert-amyl methyl ether 69.89
    2,5,8-trioxanonane 258.15
    1-hexene 28.23
    2-isopropoxyethanol 127.88
    2,2,2-trifluoroethanol 160.64
    methyl butyrate 126.94

    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