tert-Butylacrylamide

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  • Identifiers

    CAS number
    107-58-4

    Molecular formula
    C7H13NO

    SMILES
    CC(C)(C)NC(=O)C=C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Mint 43.49%
    Fruity 40.6%
    Herbal 37.38%
    Sulfurous 28.06%
    Cooling 27.91%
    Citrus 27.23%
    Grapefruit 25.26%
    Spicy 25.07%
    Pungent 23.67%
    Meaty 23.63%

     

    Flavor
    Fruity 36.18%
    Green 30.58%
    Herbal 25.31%
    Berry 24.74%
    Light 21.13%
    Woody 20.91%
    Tropical 20.78%
    Stinky 20.02%
    Heather 20.0%
    Ocimene 19.99%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.83 (neutral)

    Molecular weight
    127.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    226°C

    Flash point

    • 63.59 ˚C est.

  • Synonyms

    • N-TERT-BUTYLACRYLAMIDE
    • 107-58-4
    • tert-Butylacrylamide
    • T-Bu acrylamide
    • XJ13FSH48K
    • DTXSID1040114
    • NSC-5287
    • DTXCID9020114
    • RefChem:896539
    • 203-505-6
    • N-(tert-Butyl)acrylamide
    • 2-Propenamide, N-(1,1-dimethylethyl)-
    • N-tert-butylprop-2-enamide
    • Acrylamide, N-tert-butyl-
    • MFCD00026271
    • N-t-Butylacrylamide
    • N-(tert-butyl)prop-2-enamide
    • N-(1,1-Dimethylethyl)-2-propenamide
    • n-tert-butyl acrylamide
    • NSC 5287
    • EINECS 203-505-6
    • UNII-XJ13FSH48K
    • BRN 1742331
    • AI3-25002
    • N-t-butyl acrylamide
    • N-tert.-butylacrylamide
    • N-t-Butyl-2-propenamide
    • EC 203-505-6
    • SCHEMBL26705
    • 4-04-00-00664 (Beilstein Handbook Reference)
    • N-tert-Butylacrylamide, 97%
    • SCHEMBL2702042
    • SCHEMBL7745946
    • CHEMBL3184503
    • 2-Propenamide,1-dimethylethyl)-
    • NSC5287
    • N-TERT-BUTYL-2-PROPENAMIDE
    • ALBB-013511
    • Tox21_301092
    • SBB008122
    • AKOS005174133
    • CS-W013480
    • NCGC00248285-01
    • NCGC00254992-01
    • AS-17781
    • CAS-107-58-4
    • SY011291
    • B0703
    • NS00001778
    • ST50410460
    • EN300-64881
    • D70371
    • F341976
    • Q27293858
    • Z440633548
    • InChI=1/C7H13NO/c1-5-6(9)8-7(2,3)4/h5H,1H2,2-4H3,(H,8,9
    • 107-58-4

  • Applications

    tert-Butylacrylamide is primarily used as a reactive monomer to synthesize simple and copolymer polymers with tunable hydrophobicity and mechanical strength. In coatings and inks, it enables the design of specialty materials with adjustable glass transition temperatures and water resistance, and it is commonly evaluated for use in coatings, adhesives, and sealants. It also serves as a monomer for hydrogel networks and water-absorbent polymers used in agriculture, environmental formulations, and consumer-care products. Additionally, polymers containing tert-Butylacrylamide units may be employed in adhesives to improve mechanical properties and durability. It can act as an intermediate in the synthesis of specialty polymers for electronics-related coatings or encapsulation, and, where relevant, is used to tailor rheology or thickening behavior in cosmetic or household polymer ingredients, subject to formulation limits and regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.71
    methanol 18.64
    isopropanol 10.74
    water 4.59
    ethyl acetate 23.56
    n-propanol 11.64
    acetone 21.32
    n-butanol 13.25
    acetonitrile 11.74
    DMF 53.12
    toluene 16.42
    isobutanol 17.5
    1,4-dioxane 24.82
    methyl acetate 30.51
    THF 54.9
    2-butanone 31.13
    n-pentanol 14.27
    sec-butanol 21.28
    n-hexane 14.16
    ethylene glycol 9.56
    NMP 144.84
    cyclohexane 9.79
    DMSO 26.75
    n-butyl acetate 35.15
    n-octanol 39.71
    chloroform 50.81
    n-propyl acetate 19.19
    acetic acid 28.79
    dichloromethane 27.33
    cyclohexanone 56.46
    propylene glycol 21.59
    isopropyl acetate 23.92
    DMAc 127.84
    2-ethoxyethanol 14.03
    isopentanol 18.03
    n-heptane 13.8
    ethyl formate 13.87
    1,2-dichloroethane 16.66
    n-hexanol 46.85
    2-methoxyethanol 21.31
    isobutyl acetate 21.91
    tetrachloromethane 12.73
    n-pentyl acetate 25.73
    transcutol 59.38
    n-heptanol 27.94
    ethylbenzene 18.44
    MIBK 27.49
    2-propoxyethanol 48.38
    tert-butanol 37.04
    MTBE 38.77
    2-butoxyethanol 30.44
    propionic acid 34.21
    o-xylene 26.26
    formic acid 9.25
    diethyl ether 14.59
    m-xylene 23.65
    p-xylene 26.99
    chlorobenzene 22.21
    dimethyl carbonate 18.57
    n-octane 6.95
    formamide 4.19
    cyclopentanone 61.76
    2-pentanone 23.47
    anisole 28.81
    cyclopentyl methyl ether 43.81
    gamma-butyrolactone 65.51
    1-methoxy-2-propanol 29.26
    pyridine 19.31
    3-pentanone 31.56
    furfural 56.47
    n-dodecane 7.55
    diethylene glycol 32.68
    diisopropyl ether 15.11
    tert-amyl alcohol 48.82
    acetylacetone 35.05
    n-hexadecane 7.95
    acetophenone 37.75
    methyl propionate 30.28
    isopentyl acetate 44.55
    trichloroethylene 41.94
    n-nonanol 35.96
    cyclohexanol 33.19
    benzyl alcohol 22.25
    2-ethylhexanol 40.52
    isooctanol 27.5
    dipropyl ether 28.29
    1,2-dichlorobenzene 31.64
    ethyl lactate 29.83
    propylene carbonate 57.61
    n-methylformamide 14.37
    2-pentanol 17.11
    n-pentane 8.83
    1-propoxy-2-propanol 51.7
    1-methoxy-2-propyl acetate 48.81
    2-(2-methoxypropoxy) propanol 70.89
    mesitylene 20.8
    ε-caprolactone 56.0
    p-cymene 26.8
    epichlorohydrin 36.63
    1,1,1-trichloroethane 35.68
    2-aminoethanol 13.4
    morpholine-4-carbaldehyde 71.82
    sulfolane 116.88
    2,2,4-trimethylpentane 14.31
    2-methyltetrahydrofuran 47.02
    n-hexyl acetate 50.81
    isooctane 8.45
    2-(2-butoxyethoxy)ethanol 54.39
    sec-butyl acetate 22.27
    tert-butyl acetate 38.86
    decalin 12.14
    glycerin 34.2
    diglyme 59.5
    acrylic acid 32.49
    isopropyl myristate 31.1
    n-butyric acid 30.27
    acetyl acetate 25.32
    di(2-ethylhexyl) phthalate 43.61
    ethyl propionate 26.28
    nitromethane 29.42
    1,2-diethoxyethane 20.99
    benzonitrile 24.69
    trioctyl phosphate 30.02
    1-bromopropane 15.73
    gamma-valerolactone 63.02
    n-decanol 31.17
    triethyl phosphate 30.21
    4-methyl-2-pentanol 20.66
    propionitrile 16.76
    vinylene carbonate 44.43
    1,1,2-trichlorotrifluoroethane 56.36
    DMS 46.61
    cumene 21.74
    2-octanol 26.73
    2-hexanone 24.45
    octyl acetate 37.94
    limonene 36.69
    1,2-dimethoxyethane 30.35
    ethyl orthosilicate 29.61
    tributyl phosphate 33.42
    diacetone alcohol 50.75
    N,N-dimethylaniline 34.98
    acrylonitrile 18.06
    aniline 18.38
    1,3-propanediol 11.56
    bromobenzene 21.22
    dibromomethane 21.18
    1,1,2,2-tetrachloroethane 48.64
    2-methyl-cyclohexyl acetate 53.02
    tetrabutyl urea 46.1
    diisobutyl methanol 30.37
    2-phenylethanol 38.45
    styrene 15.73
    dioctyl adipate 42.44
    dimethyl sulfate 43.19
    ethyl butyrate 30.63
    methyl lactate 37.3
    butyl lactate 37.21
    diethyl carbonate 25.47
    propanediol butyl ether 48.69
    triethyl orthoformate 29.66
    p-tert-butyltoluene 29.77
    methyl 4-tert-butylbenzoate 67.47
    morpholine 24.11
    tert-butylamine 30.01
    n-dodecanol 26.88
    dimethoxymethane 26.16
    ethylene carbonate 32.35
    cyrene 75.43
    2-ethoxyethyl acetate 27.1
    2-ethylhexyl acetate 38.62
    1,2,4-trichlorobenzene 44.78
    4-methylpyridine 29.79
    dibutyl ether 26.57
    2,6-dimethyl-4-heptanol 30.37
    DEF 37.96
    dimethyl isosorbide 108.05
    tetrachloroethylene 29.8
    eugenol 59.25
    triacetin 61.64
    span 80 68.77
    1,4-butanediol 9.54
    1,1-dichloroethane 24.59
    2-methyl-1-pentanol 22.56
    methyl formate 15.99
    2-methyl-1-butanol 22.78
    n-decane 10.86
    butyronitrile 14.05
    3,7-dimethyl-1-octanol 45.45
    1-chlorooctane 26.71
    1-chlorotetradecane 15.56
    n-nonane 10.6
    undecane 8.78
    tert-butylcyclohexane 16.72
    cyclooctane 6.56
    cyclopentanol 34.35
    tetrahydropyran 27.01
    tert-amyl methyl ether 46.84
    2,5,8-trioxanonane 66.17
    1-hexene 20.36
    2-isopropoxyethanol 17.49
    2,2,2-trifluoroethanol 17.43
    methyl butyrate 29.81

    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