Benzoic acid, 2-((2-(phenylmethylene)octylidene)amino)-, methyl ester

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  • Identifiers

    CAS number
    67924-13-4

    Molecular formula
    C23H27NO2

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

  • Odor profile

    Fragrance
    Floral 80.08%
    Fresh 64.36%
    Sweet 54.07%
    Green 52.51%
    Waxy 48.09%
    Fatty 42.85%
    Citrus 41.13%
    Neroli 40.76%
    Aldehydic 39.95%
    Fruity 39.69%

     

    Flavor
    Bitter 33.97%
    Herbal 32.54%
    Balsam 21.26%
    Fruity 20.33%
    Heather 19.45%
    Broom 19.03%
    Genet 19.01%
    Nitrile 18.72%
    Lovage 18.7%
    Oriental 18.56%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    6.7 (neutral)

    Molecular weight
    349.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    464°C

    Flash point

    • 218.29 ˚C est.

  • Synonyms

    • JASMEA
    • DTXSID5070860
    • 67924-13-4
    • Benzoic acid, 2-((2-(phenylmethylene)octylidene)amino)-, methyl ester
    • Benzoic acid, 2-[[2-(phenylmethylene)octylidene]amino]-, methyl ester
    • EINECS 267-798-2
    • Amylcinnamic aldehyde methylanthranilate (Schiff Base)
    • AY7KR95P3W
    • DTXCID7045289
    • XTFDJRLNMKZPCR-UHFFFAOYSA-N
    • NS00012978
    • Benzoic acid, 2-2-(phenylmethylene)octylideneamino-, methyl ester

  • Applications

    Benzoic acid, 2-((2-(phenylmethylene)octylidene)amino)-, methyl ester is typically used as an organic-synthesis intermediate and building block for Schiff-base (imine) systems and for preparing substituted benzoate esters, enabling subsequent functionalization. In coatings, inks, and specialty polymers, it can serve as a reactive aryl ester/iminium component enabling crosslinking or diversification of monomer functionality. It is also evaluated in pharmaceutical and medicinal-chemistry research as a scaffolding fragment for potential lead compounds and in materials science studies where aryl–iminium/ester motifs are explored. Chemical name: Benzoic acid, 2-((2-(phenylmethylene)octylidene)amino)-, methyl ester; CAS number: 67924-13-4.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 188.6
    methanol 154.06
    isopropanol 124.65
    water 0.02
    ethyl acetate 779.89
    n-propanol 246.83
    acetone 994.28
    n-butanol 222.48
    acetonitrile 313.28
    DMF 1055.71
    toluene 933.86
    isobutanol 178.17
    1,4-dioxane 587.83
    methyl acetate 603.45
    THF 1365.08
    2-butanone 926.07
    n-pentanol 166.05
    sec-butanol 218.17
    n-hexane 14.61
    ethylene glycol 16.31
    NMP 1121.55
    cyclohexane 45.79
    DMSO 792.76
    n-butyl acetate 246.59
    n-octanol 35.05
    chloroform 3011.38
    n-propyl acetate 312.22
    acetic acid 238.48
    dichloromethane 3727.82
    cyclohexanone 1252.99
    propylene glycol 56.77
    isopropyl acetate 356.16
    DMAc 1300.74
    2-ethoxyethanol 271.06
    isopentanol 182.69
    n-heptane 6.64
    ethyl formate 264.15
    1,2-dichloroethane 2787.23
    n-hexanol 107.9
    2-methoxyethanol 415.23
    isobutyl acetate 170.81
    tetrachloromethane 154.82
    n-pentyl acetate 165.06
    transcutol 871.03
    n-heptanol 50.32
    ethylbenzene 183.86
    MIBK 330.48
    2-propoxyethanol 247.06
    tert-butanol 135.05
    MTBE 256.65
    2-butoxyethanol 150.38
    propionic acid 230.48
    o-xylene 260.09
    formic acid 50.6
    diethyl ether 446.61
    m-xylene 294.62
    p-xylene 192.7
    chlorobenzene 1001.31
    dimethyl carbonate 320.18
    n-octane 3.73
    formamide 141.93
    cyclopentanone 1511.21
    2-pentanone 757.93
    anisole 391.36
    cyclopentyl methyl ether 699.56
    gamma-butyrolactone 1223.07
    1-methoxy-2-propanol 331.75
    pyridine 1398.29
    3-pentanone 638.74
    furfural 914.5
    n-dodecane 3.24
    diethylene glycol 122.12
    diisopropyl ether 76.21
    tert-amyl alcohol 178.21
    acetylacetone 770.24
    n-hexadecane 3.98
    acetophenone 398.65
    methyl propionate 746.01
    isopentyl acetate 210.21
    trichloroethylene 4530.53
    n-nonanol 38.52
    cyclohexanol 313.11
    benzyl alcohol 308.9
    2-ethylhexanol 69.77
    isooctanol 51.21
    dipropyl ether 116.77
    1,2-dichlorobenzene 713.85
    ethyl lactate 129.34
    propylene carbonate 539.1
    n-methylformamide 380.6
    2-pentanol 154.01
    n-pentane 15.14
    1-propoxy-2-propanol 167.29
    1-methoxy-2-propyl acetate 312.11
    2-(2-methoxypropoxy) propanol 146.25
    mesitylene 101.92
    ε-caprolactone 771.43
    p-cymene 55.02
    epichlorohydrin 2520.47
    1,1,1-trichloroethane 1337.87
    2-aminoethanol 70.08
    morpholine-4-carbaldehyde 697.4
    sulfolane 1247.94
    2,2,4-trimethylpentane 12.17
    2-methyltetrahydrofuran 884.62
    n-hexyl acetate 178.4
    isooctane 7.4
    2-(2-butoxyethoxy)ethanol 213.39
    sec-butyl acetate 206.65
    tert-butyl acetate 307.68
    decalin 21.54
    glycerin 72.11
    diglyme 508.21
    acrylic acid 214.6
    isopropyl myristate 58.89
    n-butyric acid 385.92
    acetyl acetate 361.17
    di(2-ethylhexyl) phthalate 72.43
    ethyl propionate 302.22
    nitromethane 733.37
    1,2-diethoxyethane 298.72
    benzonitrile 420.84
    trioctyl phosphate 42.53
    1-bromopropane 1074.61
    gamma-valerolactone 1416.97
    n-decanol 27.68
    triethyl phosphate 85.88
    4-methyl-2-pentanol 76.8
    propionitrile 350.87
    vinylene carbonate 462.16
    1,1,2-trichlorotrifluoroethane 919.19
    DMS 253.45
    cumene 79.34
    2-octanol 33.61
    2-hexanone 330.63
    octyl acetate 80.66
    limonene 84.68
    1,2-dimethoxyethane 465.46
    ethyl orthosilicate 81.91
    tributyl phosphate 56.53
    diacetone alcohol 298.87
    N,N-dimethylaniline 185.56
    acrylonitrile 477.23
    aniline 688.07
    1,3-propanediol 123.12
    bromobenzene 1190.6
    dibromomethane 2091.94
    1,1,2,2-tetrachloroethane 3106.33
    2-methyl-cyclohexyl acetate 138.75
    tetrabutyl urea 82.86
    diisobutyl methanol 42.88
    2-phenylethanol 201.78
    styrene 311.48
    dioctyl adipate 108.89
    dimethyl sulfate 452.52
    ethyl butyrate 185.72
    methyl lactate 219.56
    butyl lactate 122.6
    diethyl carbonate 123.71
    propanediol butyl ether 109.91
    triethyl orthoformate 119.76
    p-tert-butyltoluene 49.93
    methyl 4-tert-butylbenzoate 176.65
    morpholine 891.79
    tert-butylamine 76.13
    n-dodecanol 20.77
    dimethoxymethane 751.81
    ethylene carbonate 371.75
    cyrene 198.59
    2-ethoxyethyl acetate 305.96
    2-ethylhexyl acetate 163.76
    1,2,4-trichlorobenzene 849.28
    4-methylpyridine 1301.61
    dibutyl ether 81.81
    2,6-dimethyl-4-heptanol 42.88
    DEF 793.18
    dimethyl isosorbide 306.61
    tetrachloroethylene 1390.85
    eugenol 178.66
    triacetin 201.48
    span 80 122.11
    1,4-butanediol 49.5
    1,1-dichloroethane 2009.73
    2-methyl-1-pentanol 172.27
    methyl formate 281.91
    2-methyl-1-butanol 229.77
    n-decane 5.52
    butyronitrile 337.2
    3,7-dimethyl-1-octanol 48.99
    1-chlorooctane 44.76
    1-chlorotetradecane 16.32
    n-nonane 4.93
    undecane 4.07
    tert-butylcyclohexane 15.26
    cyclooctane 10.31
    cyclopentanol 276.91
    tetrahydropyran 897.61
    tert-amyl methyl ether 227.73
    2,5,8-trioxanonane 268.49
    1-hexene 105.28
    2-isopropoxyethanol 190.54
    2,2,2-trifluoroethanol 77.33
    methyl butyrate 406.75

    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