2-Propenoic acid, 2-methyl-, 2-1,3,3-trimethyl-5-2-(2-methyl-1-oxo-2-propenyl)oxyethoxycarbonylaminocyclohexylmethylaminocarbonyloxyethyl ester

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  • Identifiers

    CAS number
    42405-01-6

    Molecular formula
    C24H38N2O8

    SMILES
    CC(=C)C(=O)OCCOC(=O)NCC1(CC(CC(C1)(C)C)NC(=O)OCCOC(=O)C(=C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Odorless 49.36%
    Cooling 24.5%
    Fruity 23.83%
    Savory 22.74%
    Mint 21.76%
    Grape 20.38%
    Milky 19.83%
    Musk 19.69%
    Roasted 18.96%
    Fresh 17.96%

     

    Flavor
    Bitter 52.47%
    Fruity 42.3%
    Odorless 32.01%
    Mild 25.36%
    Bland 24.45%
    Very mild 20.22%
    Broom 20.21%
    Heather 20.17%
    Genet 19.75%
    Sweet-like 19.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    6.38 (neutral)

    Molecular weight
    482.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    354°C

    Flash point

    • 244.18 ˚C est.

  • Synonyms

    • 2-Propenoic acid, 2-methyl-, 2-1,3,3-trimethyl-5-2-(2-methyl-1-oxo-2-propenyl)oxyethoxycarbonylaminocyclohexylmethylaminocarbonyloxyethyl ester
    • 2-Propenoic acid, 2-methyl-, 2-[[[[[1,3,3-trimethyl-5-[[[2-[(2-methyl-1-oxo-2-propenyl)oxy]ethoxy]carbonyl]amino]cyclohexyl]methyl]amino]carbonyl]oxy]ethyl ester
    • 2-Propenoic acid, 2-methyl-, 2-(((((1,3,3-trimethyl-5-(((2-((2-methyl-1-oxo-2-propenyl)oxy)ethoxy)carbonyl)amino)cyclohexyl)methyl)amino)carbonyl)oxy)ethyl ester
    • RefChem:479689
    • Bis-hema ipdi
    • 42405-01-6
    • Urethane dimethacrylate III
    • Bis-hema ipdi [INCI]
    • UNII-Q671K86TVQ
    • Q671K86TVQ
    • M 407
    • M-407
    • 1,5,5-Trimethyl-1-((2-methacryloyloxyethyl)carbamoylmethyl)-3-(2-methacryloyloxyethyl)carbamoylcyclohexane
    • 2-Propenoic acid, 2-methyl-, 2-(((((1,3,3-trimethyl-5-(((2-((2-methyl-1-oxo-2-propen-1-yl)oxy)ethoxy)carbonyl)amino)cyclohexyl)methyl)amino)carbonyl)oxy)ethyl ester
    • orb1698133
    • SCHEMBL11900914
    • JQRKAXLVSDRXNM-UHFFFAOYSA-N
    • DTXSID501357536
    • AKOS040750814
    • Q27287051
    • 42405-01-6

  • Applications

    2-Propenoic acid, 2-methyl-, 2-1,3,3-trimethyl-5-2-(2-methyl-1-oxo-2-propenyl)oxyethoxycarbonylaminocyclohexylmethylaminocarbonyloxyethyl ester (CAS 42405-01-6) is primarily used as a specialty monomer/intermediate in polymer synthesis, enabling protected amine functionality in UV-curable coatings and adhesives; it can act as a reactive building block for specialty plastics and resins, and may serve as an intermediate in pharmaceutical or agrochemical syntheses under appropriate regulatory controls. Its acrylate-type propenoic acid moiety supports copolymerization for coatings/inks, while the carbamate/ether segments provide sites for post-polymerization modification and crosslinking; thus typical use-cases include UV-curable coatings, adhesives, specialty polymers and resins, and advanced electronics photoresists.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 179.67
    methanol 242.21
    isopropanol 81.94
    water 0.98
    ethyl acetate 103.55
    n-propanol 137.38
    acetone 187.53
    n-butanol 89.91
    acetonitrile 45.32
    DMF 616.23
    toluene 12.58
    isobutanol 67.19
    1,4-dioxane 83.65
    methyl acetate 127.59
    THF 309.25
    2-butanone 159.62
    n-pentanol 52.21
    sec-butanol 84.71
    n-hexane 1.06
    ethylene glycol 30.35
    NMP 748.81
    cyclohexane 0.75
    DMSO 487.67
    n-butyl acetate 34.49
    n-octanol 14.97
    chloroform 254.49
    n-propyl acetate 47.31
    acetic acid 534.53
    dichloromethane 235.18
    cyclohexanone 149.07
    propylene glycol 65.96
    isopropyl acetate 50.63
    DMAc 883.27
    2-ethoxyethanol 195.91
    isopentanol 42.92
    n-heptane 0.61
    ethyl formate 116.44
    1,2-dichloroethane 116.5
    n-hexanol 25.69
    2-methoxyethanol 372.67
    isobutyl acetate 19.49
    tetrachloromethane 20.83
    n-pentyl acetate 34.32
    transcutol 221.97
    n-heptanol 17.86
    ethylbenzene 5.45
    MIBK 36.33
    2-propoxyethanol 149.52
    tert-butanol 54.23
    MTBE 38.3
    2-butoxyethanol 80.61
    propionic acid 179.36
    o-xylene 8.15
    formic acid 318.09
    diethyl ether 44.12
    m-xylene 6.64
    p-xylene 6.2
    chlorobenzene 20.86
    dimethyl carbonate 90.83
    n-octane 0.37
    formamide 391.09
    cyclopentanone 266.72
    2-pentanone 107.2
    anisole 23.39
    cyclopentyl methyl ether 63.99
    gamma-butyrolactone 361.8
    1-methoxy-2-propanol 219.32
    pyridine 107.95
    3-pentanone 75.34
    furfural 237.51
    n-dodecane 0.23
    diethylene glycol 91.26
    diisopropyl ether 5.38
    tert-amyl alcohol 71.15
    acetylacetone 117.2
    n-hexadecane 0.25
    acetophenone 42.1
    methyl propionate 136.32
    isopentyl acetate 28.09
    trichloroethylene 298.02
    n-nonanol 14.48
    cyclohexanol 40.47
    benzyl alcohol 39.44
    2-ethylhexanol 10.05
    isooctanol 11.34
    dipropyl ether 13.96
    1,2-dichlorobenzene 21.07
    ethyl lactate 44.9
    propylene carbonate 151.63
    n-methylformamide 367.11
    2-pentanol 35.61
    n-pentane 1.25
    1-propoxy-2-propanol 73.26
    1-methoxy-2-propyl acetate 69.93
    2-(2-methoxypropoxy) propanol 63.75
    mesitylene 2.56
    ε-caprolactone 179.68
    p-cymene 2.96
    epichlorohydrin 382.69
    1,1,1-trichloroethane 70.22
    2-aminoethanol 106.1
    morpholine-4-carbaldehyde 421.78
    sulfolane 488.13
    2,2,4-trimethylpentane 0.87
    2-methyltetrahydrofuran 147.95
    n-hexyl acetate 41.11
    isooctane 0.28
    2-(2-butoxyethoxy)ethanol 86.44
    sec-butyl acetate 26.06
    tert-butyl acetate 41.85
    decalin 0.57
    glycerin 114.21
    diglyme 169.24
    acrylic acid 180.64
    isopropyl myristate 7.79
    n-butyric acid 206.95
    acetyl acetate 63.32
    di(2-ethylhexyl) phthalate 16.54
    ethyl propionate 47.08
    nitromethane 605.35
    1,2-diethoxyethane 39.2
    benzonitrile 21.81
    trioctyl phosphate 11.3
    1-bromopropane 47.79
    gamma-valerolactone 475.18
    n-decanol 8.44
    triethyl phosphate 18.47
    4-methyl-2-pentanol 11.98
    propionitrile 38.2
    vinylene carbonate 130.95
    1,1,2-trichlorotrifluoroethane 359.69
    DMS 51.55
    cumene 3.6
    2-octanol 9.21
    2-hexanone 49.92
    octyl acetate 16.1
    limonene 4.89
    1,2-dimethoxyethane 168.67
    ethyl orthosilicate 15.85
    tributyl phosphate 14.34
    diacetone alcohol 83.99
    N,N-dimethylaniline 18.38
    acrylonitrile 60.55
    aniline 37.96
    1,3-propanediol 144.5
    bromobenzene 16.79
    dibromomethane 115.4
    1,1,2,2-tetrachloroethane 220.54
    2-methyl-cyclohexyl acetate 21.87
    tetrabutyl urea 21.06
    diisobutyl methanol 3.75
    2-phenylethanol 26.06
    styrene 6.27
    dioctyl adipate 20.65
    dimethyl sulfate 213.94
    ethyl butyrate 28.89
    methyl lactate 116.09
    butyl lactate 40.42
    diethyl carbonate 20.31
    propanediol butyl ether 63.05
    triethyl orthoformate 22.63
    p-tert-butyltoluene 2.78
    methyl 4-tert-butylbenzoate 50.01
    morpholine 200.37
    tert-butylamine 17.03
    n-dodecanol 4.76
    dimethoxymethane 236.87
    ethylene carbonate 96.44
    cyrene 88.48
    2-ethoxyethyl acetate 73.79
    2-ethylhexyl acetate 19.39
    1,2,4-trichlorobenzene 38.26
    4-methylpyridine 88.51
    dibutyl ether 9.2
    2,6-dimethyl-4-heptanol 3.75
    DEF 198.72
    dimethyl isosorbide 94.26
    tetrachloroethylene 124.21
    eugenol 41.19
    triacetin 68.45
    span 80 47.72
    1,4-butanediol 45.86
    1,1-dichloroethane 90.78
    2-methyl-1-pentanol 34.52
    methyl formate 236.61
    2-methyl-1-butanol 62.4
    n-decane 0.57
    butyronitrile 35.29
    3,7-dimethyl-1-octanol 10.49
    1-chlorooctane 5.39
    1-chlorotetradecane 1.17
    n-nonane 0.5
    undecane 0.35
    tert-butylcyclohexane 0.54
    cyclooctane 0.29
    cyclopentanol 77.42
    tetrahydropyran 66.55
    tert-amyl methyl ether 39.31
    2,5,8-trioxanonane 91.26
    1-hexene 6.71
    2-isopropoxyethanol 89.14
    2,2,2-trifluoroethanol 195.5
    methyl butyrate 72.3

    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