2-Propenoic acid, 2-cyano-3,3-diphenyl-2,2-bis(((2-cyano-1-oxo-3,3-diphenyl-2-propenyl)oxy)methyl)-1,3-propanediyl ester

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  • Identifiers

    CAS number
    178671-58-4

    Molecular formula
    C69H48N4O8

    SMILES
    C1=CC=C(C=C1)C(=C(C#N)C(=O)OCC(COC(=O)C(=C(C2=CC=CC=C2)C3=CC=CC=C3)C#N)(COC(=O)C(=C(C4=CC=CC=C4)C5=CC=CC=C5)C#N)COC(=O)C(=C(C6=CC=CC=C6)C7=CC=CC=C7)C#N)C8=CC=CC=C8

    Safety labels

  • Odor profile

    Fragrance
    Floral 55.27%
    Balsamic 53.8%
    Fruity 42.44%
    Green 40.77%
    Rose 38.68%
    Sweet 34.66%
    Spicy 32.67%
    Herbal 32.36%
    Honey 28.71%
    Powdery 27.13%

     

    Flavor
    Bitter 90.11%
    Odorless 26.23%
    Bland 20.02%
    Nitrile 17.49%
    Broom 16.41%
    Heather 16.4%
    Genet 16.35%
    Sweet-like 16.29%
    Oriental 16.12%
    Cedarleaf 15.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    15.5

    pKa est.
    1.27 (strong acid)

    Molecular weight
    1061.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    3283°C

    Flash point

    • 386.33 ˚C est.

  • Synonyms

    • 178671-58-4
    • Uvinul 3030
    • UV 3030
    • UV-3030
    • 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 1,1'-[2,2-bis[[(2-cyano-1-oxo-3,3-diphenyl-2-propen-1-yl)oxy]methyl]-1,3-propanediyl] ester
    • P428PY6477
    • 2-Propenoic acid, 2-cyano-3,3-diphenyl-2,2-bis(((2-cyano-1-oxo-3,3-diphenyl-2-propenyl)oxy)methyl)-1,3-propanediyl ester
    • DTXSID70170522
    • 1,3-Bis((2-cyano-3,3-diphenylacryloyl)oxy)-2,2-bis(((2-cyano-3,3-diphenylacryloyl)oxy)methyl)propane
    • 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 1,1'-(2,2-bis(((2-cyano-1-oxo-3,3-diphenyl-2-propen-1-yl)oxy)methyl)-1,3-propanediyl) ester
    • 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 2,2-bis(((2-cyano-1-oxo-3,3-diphenyl-2-propenyl)oxy)methyl)-1,3-propanediyl ester
    • 3-{[2-CYANO-2-(DIPHENYLMETHYLIDENE)ACETYL]OXY}-2,2-BIS({[2-CYANO-2-(DIPHENYLMETHYLIDENE)ACETYL]OXY}METHYL)PROPYL 2-CYANO-3,3-DIPHENYLPROP-2-ENOATE
    • 2-Propenoic acid, 2-cyano-3,3-diphenyl-, 2,2-bis[[(2-cyano-1-oxo-3,3-diphenyl-2-propenyl)oxy]methyl]-1,3-propanediyl ester
    • 3-((2-Cyano-2-(diphenylmethylidene)acetyl)oxy)-2,2-bis(((2-cyano-2-(diphenylmethylidene)acetyl)oxy)methyl)propyl 2-cyano-3,3-diphenylprop-2-enoate
    • RefChem:479222
    • DTXCID4093013
    • 429-160-3
    • 2,2-Bis(((2-cyano-3,3-diphenylacryloyl)oxy)methyl)propane-1,3-diyl bis(2-cyano-3,3-diphenylacrylate)
    • MFCD21607536
    • C69H48N4O8
    • [3-(2-cyano-3,3-diphenylprop-2-enoyl)oxy-2,2-bis[(2-cyano-3,3-diphenylprop-2-enoyl)oxymethyl]propyl] 2-cyano-3,3-diphenylprop-2-enoate
    • 2,2-Bis(((2-cyano-3,3-diphenylacryloyl)oxy)methyl)-propane-1,3-diyl bis(2-cyano-3,3-diphenylacrylate)
    • UV Absorber 3030
    • UNII-P428PY6477
    • CVSXFBFIOUYODT-UHFFFAOYSA-N
    • 1,3-Bis[(2-cyano-3,3-diphenylacryloyl)oxy]-2,2-bis[[(2-cyano-3,3-diphenylacryloyl)oxy]methyl]propane; 1,3-Bis[(2'-cyano-3',3'-diphenylacryloyl)oxy]-2,2-bis-[(2'-cyano-3',3'-diphenylacryloyl)oxy]methyl]propane; UV 3030
    • SCHEMBL124488
    • MSK3466
    • AKOS016007524
    • DS-18062
    • CS-0156577
    • NS00003527
    • D82511
    • 671U584
    • Q27286103
    • [3-(2-cyano-3,3-diphenyl-prop-2-enoyl)oxy-2,2-bis[(2-cyano-3,3-diphenyl-prop-2-enoyl)oxymethyl]propyl] 2-cyano-3,3-diphenyl-prop-2-enoate
    • 2,2-Bis(((2-cyano-3,3-diphenylacryloyl)oxy)methyl)propane-1,3-diylbis(2-cyano-3,3-diphenylacrylate)
    • 2,2-Bis(((2-cyano-33-diphenylacryloyl)oxy)methyl)propane-1,3-diyl bis(2-cyano-3,3-diphenylacrylate)
    • 2,2-Bis{[(2-cyano-3,3-diphenylprop-2-enoyl)oxy]methyl}propane-1,3-diyl bis(2-cyano-3,3-diphenylprop-2-enoate)
    • 2-cyano-3,3-diphenyl-2,2-bis(((2-cyano-1-oxo-3,3-diphenyl-2-propenyl)oxy)methyl)-1,3-propanediyl ester2-propenoic acid
    • 178671-58-4

  • Applications

    2-Propenoic acid, 2-cyano-3,3-diphenyl-2,2-bis(((2-cyano-1-oxo-3,3-diphenyl-2-propenyl)oxy)methyl)-1,3-propanediyl ester, CAS number: 178671-58-4, is a multi-functional acrylate ester used as a reactive monomer and crosslinking agent in UV-curable formulations, including coatings, inks, and adhesives, where the bulky diphenyl and cyano substituents promote rapid cure and high crosslink density. It is also evaluated as a specialty monomer for polymer and plastics formulations to improve hardness and chemical resistance, and is of interest for photopolymer resins in electronics and optics due to potential high refractive index and rigid networks, with potential use in 3D printing resins, and its usage is dependent on formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.15
    methanol 4.04
    isopropanol 1.14
    water 0.08
    ethyl acetate 7.95
    n-propanol 2.05
    acetone 14.54
    n-butanol 1.32
    acetonitrile 9.11
    DMF 41.68
    toluene 7.19
    isobutanol 1.22
    1,4-dioxane 7.91
    methyl acetate 12.11
    THF 27.56
    2-butanone 12.6
    n-pentanol 1.54
    sec-butanol 1.3
    n-hexane 0.2
    ethylene glycol 1.92
    NMP 88.22
    cyclohexane 0.22
    DMSO 27.46
    n-butyl acetate 5.05
    n-octanol 0.82
    chloroform 39.2
    n-propyl acetate 6.37
    acetic acid 14.73
    dichloromethane 34.48
    cyclohexanone 19.01
    propylene glycol 2.19
    isopropyl acetate 4.92
    DMAc 48.78
    2-ethoxyethanol 5.79
    isopentanol 0.93
    n-heptane 0.22
    ethyl formate 8.95
    1,2-dichloroethane 14.65
    n-hexanol 0.99
    2-methoxyethanol 7.59
    isobutyl acetate 3.41
    tetrachloromethane 4.17
    n-pentyl acetate 4.64
    transcutol 6.04
    n-heptanol 0.96
    ethylbenzene 2.68
    MIBK 3.98
    2-propoxyethanol 5.88
    tert-butanol 1.14
    MTBE 1.68
    2-butoxyethanol 4.3
    propionic acid 8.52
    o-xylene 3.84
    formic acid 10.85
    diethyl ether 2.38
    m-xylene 4.07
    p-xylene 3.73
    chlorobenzene 12.6
    dimethyl carbonate 17.75
    n-octane 0.12
    formamide 16.48
    cyclopentanone 43.78
    2-pentanone 8.29
    anisole 6.26
    cyclopentyl methyl ether 7.19
    gamma-butyrolactone 58.79
    1-methoxy-2-propanol 5.79
    pyridine 24.84
    3-pentanone 8.59
    furfural 56.8
    n-dodecane 0.1
    diethylene glycol 4.49
    diisopropyl ether 0.61
    tert-amyl alcohol 1.24
    acetylacetone 17.95
    n-hexadecane 0.11
    acetophenone 11.95
    methyl propionate 12.65
    isopentyl acetate 3.45
    trichloroethylene 59.56
    n-nonanol 0.92
    cyclohexanol 1.63
    benzyl alcohol 6.46
    2-ethylhexanol 0.88
    isooctanol 0.75
    dipropyl ether 2.47
    1,2-dichlorobenzene 13.3
    ethyl lactate 5.82
    propylene carbonate 23.96
    n-methylformamide 20.94
    2-pentanol 0.82
    n-pentane 0.17
    1-propoxy-2-propanol 4.53
    1-methoxy-2-propyl acetate 8.38
    2-(2-methoxypropoxy) propanol 4.36
    mesitylene 1.8
    ε-caprolactone 16.92
    p-cymene 1.54
    epichlorohydrin 40.61
    1,1,1-trichloroethane 15.32
    2-aminoethanol 2.62
    morpholine-4-carbaldehyde 36.4
    sulfolane 78.1
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 9.24
    n-hexyl acetate 3.76
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 4.3
    sec-butyl acetate 3.67
    tert-butyl acetate 4.37
    decalin 0.2
    glycerin 4.29
    diglyme 9.67
    acrylic acid 15.27
    isopropyl myristate 1.5
    n-butyric acid 6.66
    acetyl acetate 9.87
    di(2-ethylhexyl) phthalate 2.76
    ethyl propionate 6.37
    nitromethane 45.18
    1,2-diethoxyethane 3.68
    benzonitrile 10.94
    trioctyl phosphate 1.68
    1-bromopropane 4.57
    gamma-valerolactone 48.21
    n-decanol 0.69
    triethyl phosphate 3.01
    4-methyl-2-pentanol 0.5
    propionitrile 6.46
    vinylene carbonate 29.09
    1,1,2-trichlorotrifluoroethane 43.92
    DMS 9.05
    cumene 1.45
    2-octanol 0.65
    2-hexanone 6.5
    octyl acetate 2.2
    limonene 1.59
    1,2-dimethoxyethane 9.54
    ethyl orthosilicate 2.27
    tributyl phosphate 2.04
    diacetone alcohol 5.97
    N,N-dimethylaniline 4.76
    acrylonitrile 14.67
    aniline 6.79
    1,3-propanediol 2.51
    bromobenzene 14.34
    dibromomethane 16.03
    1,1,2,2-tetrachloroethane 35.52
    2-methyl-cyclohexyl acetate 3.98
    tetrabutyl urea 3.9
    diisobutyl methanol 0.54
    2-phenylethanol 4.72
    styrene 3.44
    dioctyl adipate 3.33
    dimethyl sulfate 42.32
    ethyl butyrate 4.86
    methyl lactate 11.87
    butyl lactate 5.28
    diethyl carbonate 3.64
    propanediol butyl ether 3.4
    triethyl orthoformate 3.4
    p-tert-butyltoluene 1.46
    methyl 4-tert-butylbenzoate 8.18
    morpholine 10.12
    tert-butylamine 0.53
    n-dodecanol 0.51
    dimethoxymethane 16.24
    ethylene carbonate 16.4
    cyrene 14.62
    2-ethoxyethyl acetate 8.04
    2-ethylhexyl acetate 3.0
    1,2,4-trichlorobenzene 19.56
    4-methylpyridine 18.2
    dibutyl ether 1.31
    2,6-dimethyl-4-heptanol 0.54
    DEF 11.44
    dimethyl isosorbide 13.16
    tetrachloroethylene 21.13
    eugenol 7.49
    triacetin 8.73
    span 80 3.93
    1,4-butanediol 1.77
    1,1-dichloroethane 12.04
    2-methyl-1-pentanol 1.18
    methyl formate 23.66
    2-methyl-1-butanol 1.14
    n-decane 0.17
    butyronitrile 4.28
    3,7-dimethyl-1-octanol 0.73
    1-chlorooctane 0.89
    1-chlorotetradecane 0.38
    n-nonane 0.15
    undecane 0.13
    tert-butylcyclohexane 0.16
    cyclooctane 0.11
    cyclopentanol 3.65
    tetrahydropyran 5.02
    tert-amyl methyl ether 1.92
    2,5,8-trioxanonane 6.6
    1-hexene 0.93
    2-isopropoxyethanol 3.56
    2,2,2-trifluoroethanol 11.72
    methyl butyrate 8.13

    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