1-Ethenyl-1,5-dimethyl-4-hexen-1-yl 2-[[2-(phenylmethylene)octylidene]amino]benzoate

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  • Identifiers

    CAS number
    72928-45-1

    Molecular formula
    C32H41NO2

    SMILES
    CCCCCCC(=CC1=CC=CC=C1)C=NC2=CC=CC=C2C(=O)OC(C)(CCC=C(C)C)C=C

    Safety labels

  • Odor profile

    Fragrance
    Floral 81.58%
    Fresh 59.18%
    Sweet 55.7%
    Rose 47.85%
    Fruity 47.04%
    Balsamic 45.13%
    Lily 44.64%
    Green 43.05%
    Waxy 41.43%
    Citrus 40.79%

     

    Flavor
    Bitter 35.4%
    Herbal 31.95%
    Heather 20.73%
    Woody 20.52%
    Genet 20.18%
    Broom 20.12%
    Oriental 19.07%
    Balsam 18.76%
    Lovage 18.19%
    Diterpene 18.16%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    9.7

    pKa est.
    6.45 (neutral)

    Molecular weight
    471.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    580°C

    Flash point

    • 227.87 ˚C est.

  • Synonyms

    • 72928-45-1
    • 1-Ethenyl-1,5-dimethyl-4-hexen-1-yl 2-((2-(phenylmethylene)octylidene)amino)benzoate
    • 1-Ethenyl-1,5-dimethyl-4-hexen-1-yl 2-[[2-(phenylmethylene)octylidene]amino]benzoate
    • RefChem:230023
    • DTXSID00868203
    • FFYKJGASIBFVHC-UHFFFAOYSA-N
    • Benzoic acid, 2-[[2-(phenylmethylene)octylidene]amino]-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
    • NS00060018
    • 3,7-Dimethylocta-1,6-dien-3-yl 2-[(2-benzylideneoctylidene)amino]benzoate
    • 72928-45-1

  • Applications

    For the chemical 1-Ethenyl-1,5-dimethyl-4-hexen-1-yl 2-[[2-(phenylmethylene)octylidene]amino]benzoate (CAS 72928-45-1), practical applications are typically focused on several areas: UV stabilization/absorption in polymers, coatings, paints, and inks; an intermediate or building block in organic synthesis, for example as a precursor to dyes or pigments; a specialty additive in adhesives and sealants as a reactive or stabilizing component; cosmetics/personal care applications as a UV-stabilizing agent or pigment precursor, subject to regulatory limits; and as a potential monomer or functional component for advanced polymers or photopolymer coatings used in optoelectronic or high-performance outdoor materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 224.29
    methanol 166.02
    isopropanol 152.17
    water 0.03
    ethyl acetate 1027.91
    n-propanol 288.62
    acetone 602.41
    n-butanol 315.22
    acetonitrile 176.56
    DMF 579.34
    toluene 1214.64
    isobutanol 235.49
    1,4-dioxane 680.08
    methyl acetate 615.27
    THF 2025.98
    2-butanone 1042.97
    n-pentanol 260.69
    sec-butanol 366.51
    n-hexane 74.5
    ethylene glycol 6.78
    NMP 1119.43
    cyclohexane 140.21
    DMSO 459.05
    n-butyl acetate 482.4
    n-octanol 100.05
    chloroform 3282.8
    n-propyl acetate 486.01
    acetic acid 316.88
    dichloromethane 3481.92
    cyclohexanone 1453.93
    propylene glycol 32.93
    isopropyl acetate 606.02
    DMAc 1405.4
    2-ethoxyethanol 285.58
    isopentanol 303.45
    n-heptane 33.73
    ethyl formate 299.51
    1,2-dichloroethane 2089.31
    n-hexanol 210.76
    2-methoxyethanol 359.43
    isobutyl acetate 321.23
    tetrachloromethane 283.53
    n-pentyl acetate 424.27
    transcutol 1213.44
    n-heptanol 134.27
    ethylbenzene 389.6
    MIBK 473.98
    2-propoxyethanol 378.0
    tert-butanol 181.33
    MTBE 541.91
    2-butoxyethanol 287.88
    propionic acid 299.49
    o-xylene 454.88
    formic acid 58.76
    diethyl ether 682.44
    m-xylene 517.71
    p-xylene 410.12
    chlorobenzene 1347.03
    dimethyl carbonate 302.43
    n-octane 14.39
    formamide 117.77
    cyclopentanone 1358.99
    2-pentanone 872.52
    anisole 601.24
    cyclopentyl methyl ether 1000.92
    gamma-butyrolactone 1189.42
    1-methoxy-2-propanol 362.65
    pyridine 1406.98
    3-pentanone 795.87
    furfural 820.64
    n-dodecane 9.74
    diethylene glycol 100.45
    diisopropyl ether 178.13
    tert-amyl alcohol 345.36
    acetylacetone 827.87
    n-hexadecane 11.65
    acetophenone 544.06
    methyl propionate 800.39
    isopentyl acetate 452.45
    trichloroethylene 3823.98
    n-nonanol 107.41
    cyclohexanol 467.76
    benzyl alcohol 372.45
    2-ethylhexanol 170.65
    isooctanol 130.45
    dipropyl ether 279.12
    1,2-dichlorobenzene 1050.48
    ethyl lactate 170.66
    propylene carbonate 690.07
    n-methylformamide 255.18
    2-pentanol 274.41
    n-pentane 68.82
    1-propoxy-2-propanol 307.37
    1-methoxy-2-propyl acetate 569.12
    2-(2-methoxypropoxy) propanol 296.16
    mesitylene 205.65
    ε-caprolactone 1245.85
    p-cymene 125.88
    epichlorohydrin 2316.77
    1,1,1-trichloroethane 1575.37
    2-aminoethanol 49.08
    morpholine-4-carbaldehyde 754.75
    sulfolane 1200.36
    2,2,4-trimethylpentane 51.56
    2-methyltetrahydrofuran 1479.9
    n-hexyl acetate 446.25
    isooctane 23.19
    2-(2-butoxyethoxy)ethanol 388.19
    sec-butyl acetate 414.99
    tert-butyl acetate 553.32
    decalin 71.23
    glycerin 40.34
    diglyme 799.03
    acrylic acid 211.84
    isopropyl myristate 151.14
    n-butyric acid 623.24
    acetyl acetate 511.93
    di(2-ethylhexyl) phthalate 159.26
    ethyl propionate 500.14
    nitromethane 596.56
    1,2-diethoxyethane 554.94
    benzonitrile 393.66
    trioctyl phosphate 95.52
    1-bromopropane 1500.96
    gamma-valerolactone 1542.28
    n-decanol 70.76
    triethyl phosphate 172.69
    4-methyl-2-pentanol 153.15
    propionitrile 291.1
    vinylene carbonate 577.82
    1,1,2-trichlorotrifluoroethane 889.48
    DMS 391.74
    cumene 184.43
    2-octanol 97.84
    2-hexanone 549.03
    octyl acetate 203.24
    limonene 225.49
    1,2-dimethoxyethane 574.62
    ethyl orthosilicate 183.31
    tributyl phosphate 124.6
    diacetone alcohol 432.31
    N,N-dimethylaniline 345.3
    acrylonitrile 277.15
    aniline 721.23
    1,3-propanediol 108.4
    bromobenzene 1674.72
    dibromomethane 2156.88
    1,1,2,2-tetrachloroethane 2966.97
    2-methyl-cyclohexyl acetate 330.56
    tetrabutyl urea 172.13
    diisobutyl methanol 92.92
    2-phenylethanol 335.02
    styrene 534.08
    dioctyl adipate 245.31
    dimethyl sulfate 398.95
    ethyl butyrate 394.06
    methyl lactate 223.83
    butyl lactate 252.34
    diethyl carbonate 225.92
    propanediol butyl ether 172.07
    triethyl orthoformate 279.73
    p-tert-butyltoluene 114.41
    methyl 4-tert-butylbenzoate 361.41
    morpholine 1041.13
    tert-butylamine 122.63
    n-dodecanol 50.64
    dimethoxymethane 609.98
    ethylene carbonate 493.61
    cyrene 274.08
    2-ethoxyethyl acetate 623.26
    2-ethylhexyl acetate 404.47
    1,2,4-trichlorobenzene 1245.15
    4-methylpyridine 1489.46
    dibutyl ether 233.41
    2,6-dimethyl-4-heptanol 92.92
    DEF 886.51
    dimethyl isosorbide 619.39
    tetrachloroethylene 1535.4
    eugenol 304.56
    triacetin 411.29
    span 80 265.62
    1,4-butanediol 38.77
    1,1-dichloroethane 1770.14
    2-methyl-1-pentanol 332.1
    methyl formate 198.0
    2-methyl-1-butanol 395.54
    n-decane 19.26
    butyronitrile 374.35
    3,7-dimethyl-1-octanol 129.38
    1-chlorooctane 136.93
    1-chlorotetradecane 42.16
    n-nonane 17.63
    undecane 12.93
    tert-butylcyclohexane 53.41
    cyclooctane 44.27
    cyclopentanol 340.36
    tetrahydropyran 1355.59
    tert-amyl methyl ether 587.39
    2,5,8-trioxanonane 462.0
    1-hexene 308.05
    2-isopropoxyethanol 248.78
    2,2,2-trifluoroethanol 83.61
    methyl butyrate 613.73

    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