Caprolactam

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  • Identifiers

    CAS number
    105-60-2

    Molecular formula
    C6H11NO

    SMILES
    C1CCC(=O)NCC1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Spicy 44.87%
    Animal 41.06%
    Fishy 40.69%
    Nutty 40.05%
    Roasted 33.69%
    Popcorn 33.26%
    Burnt 30.46%
    Caramellic 28.81%
    Sweet 27.76%
    Coumarinic 26.52%

     

    Flavor
    Bitter 60.7%
    Spicy 38.69%
    Amine 31.9%
    Animal 31.44%
    Minty 29.65%
    Shrimp 24.24%
    Alkaline 24.14%
    Ammoniacal 23.72%
    Cauliflower 22.27%
    Others 20.97%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    8.47 (weak base)

    Molecular weight
    113.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 156 °F (NTP, 1992)
    • 69.3 °C
    • 70 °C
    • 156 °F

    Boiling point

    • 512.4 °F at 760 mmHg (NTP, 1992)
    • 270 °C
    • BP: 180 °C @ 50 mm Hg
    • 267 °C
    • 515 °F

    Flash point

    • 117.76 ˚C est.
    • 257 °F (NTP, 1992)
    • 110 °C
    • 125 °C o.c.
    • 282 °F

    Solubility expt.

    • greater than or equal to 100 mg/mL at 68.9 °F (NTP, 1992)
    • Soluble in chlorinated solvents, petroleum distillate, and cyclohexene.
    • Freely sol in methanol, ethanol,tetrahydrofurfuryl alc; ether, dimethylformamide, sol in chlorinated hydrocarbons, cyclohexene, petroleum fractions
    • Soluble in benzene, ethanol, and chloroform
    • In water, 5.25X10+6 mg/l @ 25 °C.
    • Solubility in water: good
    • Soluble in water
    • Soluble (in ethanol)
    • 53%

  • Synonyms

    • azepan-2-one
    • CAPROLACTAM
    • epsilon-Caprolactam
    • 105-60-2
    • 2-Oxohexamethylenimine
    • 6-Caprolactam
    • Aminocaproic lactam
    • 6-Hexanelactam
    • 2-Azacycloheptanone
    • Hexahydro-2H-azepin-2-one
    • 2-Oxohexamethyleneimine
    • Hexanolactam
    • 2H-Azepin-2-one, hexahydro-
    • 2-Perhydroazepinone
    • Hexahydro-2-azepinone
    • 1,6-Hexolactam
    • Hexanone isoxime
    • Caprolattame
    • 2-Ketohexamethylenimine
    • Cyclohexanone iso-oxime
    • E-Caprolactam
    • 1-Aza-2-cycloheptanone
    • Epsylon kaprolaktam
    • Hexanonisoxim
    • Kaprolaktam
    • 6-Aminocaproic acid lactam
    • Extrom 6N
    • hexannic acid
    • e-Kaprolaktam
    • Hexamethylenimine, 2-oxo-
    • Caprolactam monomer
    • 1,6-Hexalactam
    • 2-Ketohexamethyleneimine
    • Kapromine
    • Stilon
    • E-caprolactum
    • 6-Aminohexanoic acid cyclic lactam
    • Perhydroazepin-2-one
    • 2H-Azepin-7-one, hexahydro-
    • gamma-caprolactam
    • omega-caprolactum
    • Capron PK4
    • .epsilon.-Caprolactam
    • Hexanoic acid, 6-amino-, lactam
    • NCI-C50646
    • .omega.-Caprolactam
    • 2H-azepin-7-one,hexahydro
    • Hexanoic acid, 6-amino-, cyclic lactam
    • Aza-2-cycloheptanone
    • CCRIS 119
    • HSDB 187
    • epsilon caprolactam
    • EINECS 203-313-2
    • MFCD00006936
    • Lactam, aminocaproic
    • NSC 117393
    • hexanoic acid-6-amino-,lactam
    • BRN 0106934
    • DTXSID4020240
    • CHEBI:28579
    • AI3-14515
    • UNII-6879X594Z8
    • A1030
    • cis-Hexahydro-2-azepinone
    • NSC-117393
    • hexahydro 2H Azepin 2 one
    • hexanoic acid-6-amino-lactam
    • DTXCID00240
    • 6879X594Z8
    • FEMA NO. 4235
    • 2-Azepinone, hexahydro-, (Z)-
    • EC 203-313-2
    • 5-21-06-00444 (Beilstein Handbook Reference)
    • Cyclohexanoneisooxime
    • Hexanoic acid, lactam
    • WLN: T7MVTJ
    • CAPROLACTAM (IARC)
    • CAPROLACTAM [IARC]
    • Hexanoic acid, cyclic lactam
    • CAPROLACTAM (USP-RS)
    • CAPROLACTAM [USP-RS]
    • HEXANOIC ACID,6-AMINO,LACTAM E-CAPROLACTAM
    • Caprolattame [French]
    • e-Kaprolaktam [Czech]
    • Hexanonisoxim [German]
    • Epsylon kaprolaktam [Polish]
    • CAS-105-60-2
    • epsilon-?Caprolactam
    • hexahydroazepin-2-one
    • ZINC ACEXAMATE IMPURITY D (EP IMPURITY)
    • ZINC ACEXAMATE IMPURITY D [EP IMPURITY]
    • Caprolactam dust and vapor
    • caprolactim
    • Alkamid
    • Chemlon
    • Danamid
    • Kaprolit
    • Kaprolon
    • Metamid
    • Orgamide
    • Steelon
    • Akulon
    • Capron
    • Grilon
    • Itamid
    • Kapron
    • Stylon
    • Vidlon
    • Widlon
    • Orgamid rmnocd
    • Durethan bk
    • Ultramid bmk
    • 6-hexanolactam
    • Tarlon xb
    • Caprolon B
    • Caprolon V
    • Kaprolit B
    • Kaprolon B
    • Renyl mv
    • Tarnamid T
    • hexano-6-lactam
    • Itamide S
    • Capron B
    • Ertalon 6sa
    • Kapron A
    • Kapron B
    • Relon P
    • Durethan bk 30S

  • Applications

    Caprolactam is the primary monomer for Nylon 6. In practice, it is used to manufacture Nylon 6 fibers and textiles (carpets and fabrics); Nylon 6 resins and polyamides for automotive and other engineering components; polyamide materials used in coatings and molded parts; and as an intermediate in the synthesis of specialty chemicals. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1198.23
    methanol 2385.41
    isopropanol 636.05
    water 57.45
    ethyl acetate 297.79
    n-propanol 733.12
    acetone 744.95
    n-butanol 484.14
    acetonitrile 741.06
    DMF 1656.38
    toluene 62.03
    isobutanol 409.04
    1,4-dioxane 539.61
    methyl acetate 315.78
    THF 649.46
    2-butanone 406.7
    n-pentanol 285.57
    sec-butanol 379.99
    n-hexane 8.93
    ethylene glycol 479.86
    NMP 1020.05
    cyclohexane 11.42
    DMSO 1634.38
    n-butyl acetate 113.36
    n-octanol 73.87
    chloroform 1040.66
    n-propyl acetate 131.47
    acetic acid 2064.83
    dichloromethane 814.65
    cyclohexanone 497.03
    propylene glycol 461.86
    isopropyl acetate 122.46
    DMAc 697.22
    2-ethoxyethanol 395.96
    isopentanol 261.55
    n-heptane 5.91
    ethyl formate 340.47
    1,2-dichloroethane 351.26
    n-hexanol 160.88
    2-methoxyethanol 846.41
    isobutyl acetate 65.74
    tetrachloromethane 87.38
    n-pentyl acetate 107.45
    transcutol 809.4
    n-heptanol 84.32
    ethylbenzene 26.17
    MIBK 98.4
    2-propoxyethanol 297.61
    tert-butanol 350.08
    MTBE 114.53
    2-butoxyethanol 191.32
    propionic acid 923.17
    o-xylene 45.79
    formic acid 1323.26
    diethyl ether 166.35
    m-xylene 40.05
    p-xylene 50.25
    chlorobenzene 223.73
    dimethyl carbonate 93.59
    n-octane 3.1
    formamide 1449.34
    cyclopentanone 816.9
    2-pentanone 255.81
    anisole 105.61
    cyclopentyl methyl ether 179.18
    gamma-butyrolactone 1038.81
    1-methoxy-2-propanol 432.68
    pyridine 893.39
    3-pentanone 163.2
    furfural 892.63
    n-dodecane 3.05
    diethylene glycol 327.78
    diisopropyl ether 23.98
    tert-amyl alcohol 236.84
    acetylacetone 243.16
    n-hexadecane 3.33
    acetophenone 124.27
    methyl propionate 257.92
    isopentyl acetate 84.5
    trichloroethylene 834.52
    n-nonanol 58.83
    cyclohexanol 214.71
    benzyl alcohol 185.55
    2-ethylhexanol 59.73
    isooctanol 58.92
    dipropyl ether 48.19
    1,2-dichlorobenzene 160.97
    ethyl lactate 88.6
    propylene carbonate 346.97
    n-methylformamide 1378.22
    2-pentanol 188.11
    n-pentane 9.83
    1-propoxy-2-propanol 164.99
    1-methoxy-2-propyl acetate 105.71
    2-(2-methoxypropoxy) propanol 127.95
    mesitylene 22.76
    ε-caprolactone 399.76
    p-cymene 19.97
    epichlorohydrin 595.26
    1,1,1-trichloroethane 233.01
    2-aminoethanol 819.12
    morpholine-4-carbaldehyde 639.49
    sulfolane 802.77
    2,2,4-trimethylpentane 5.78
    2-methyltetrahydrofuran 417.95
    n-hexyl acetate 129.15
    isooctane 3.92
    2-(2-butoxyethoxy)ethanol 210.84
    sec-butyl acetate 64.88
    tert-butyl acetate 87.62
    decalin 5.87
    glycerin 564.94
    diglyme 345.07
    acrylic acid 904.59
    isopropyl myristate 33.96
    n-butyric acid 774.91
    acetyl acetate 168.38
    di(2-ethylhexyl) phthalate 56.9
    ethyl propionate 93.08
    nitromethane 1848.9
    1,2-diethoxyethane 145.17
    benzonitrile 319.79
    trioctyl phosphate 37.93
    1-bromopropane 149.19
    gamma-valerolactone 839.76
    n-decanol 40.52
    triethyl phosphate 37.98
    4-methyl-2-pentanol 75.16
    propionitrile 469.98
    vinylene carbonate 352.66
    1,1,2-trichlorotrifluoroethane 577.67
    DMS 102.21
    cumene 20.81
    2-octanol 53.99
    2-hexanone 130.46
    octyl acetate 54.29
    limonene 28.38
    1,2-dimethoxyethane 361.21
    ethyl orthosilicate 35.33
    tributyl phosphate 45.53
    diacetone alcohol 154.05
    N,N-dimethylaniline 66.14
    acrylonitrile 753.4
    aniline 290.61
    1,3-propanediol 692.21
    bromobenzene 165.65
    dibromomethane 423.92
    1,1,2,2-tetrachloroethane 584.94
    2-methyl-cyclohexyl acetate 53.25
    tetrabutyl urea 59.72
    diisobutyl methanol 30.35
    2-phenylethanol 129.18
    styrene 51.01
    dioctyl adipate 62.17
    dimethyl sulfate 180.11
    ethyl butyrate 71.93
    methyl lactate 186.19
    butyl lactate 110.62
    diethyl carbonate 49.8
    propanediol butyl ether 216.0
    triethyl orthoformate 51.47
    p-tert-butyltoluene 18.2
    methyl 4-tert-butylbenzoate 93.31
    morpholine 765.76
    tert-butylamine 153.11
    n-dodecanol 28.95
    dimethoxymethane 291.37
    ethylene carbonate 263.43
    cyrene 137.51
    2-ethoxyethyl acetate 151.27
    2-ethylhexyl acetate 61.0
    1,2,4-trichlorobenzene 197.44
    4-methylpyridine 534.6
    dibutyl ether 51.07
    2,6-dimethyl-4-heptanol 30.35
    DEF 356.8
    dimethyl isosorbide 163.66
    tetrachloroethylene 437.09
    eugenol 121.77
    triacetin 125.81
    span 80 135.8
    1,4-butanediol 271.96
    1,1-dichloroethane 368.9
    2-methyl-1-pentanol 160.57
    methyl formate 605.67
    2-methyl-1-butanol 263.51
    n-decane 4.88
    butyronitrile 395.91
    3,7-dimethyl-1-octanol 57.31
    1-chlorooctane 26.19
    1-chlorotetradecane 9.84
    n-nonane 4.32
    undecane 3.73
    tert-butylcyclohexane 5.51
    cyclooctane 2.97
    cyclopentanol 442.65
    tetrahydropyran 395.54
    tert-amyl methyl ether 73.97
    2,5,8-trioxanonane 223.76
    1-hexene 48.55
    2-isopropoxyethanol 183.82
    2,2,2-trifluoroethanol 478.44
    methyl butyrate 160.99

    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