Benzoic acid, 2-(isononylideneamino)-, methyl ester

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  • Identifiers

    CAS number
    67923-84-6

    Molecular formula
    C17H25NO2

    SMILES
    CC(CCCC/C=C/C1=CC=CC=C1C(=O)OC)CN

    Safety labels

  • Odor profile

    Fragrance
    Citrus 48.22%
    Fresh 46.61%
    Floral 46.23%
    Waxy 36.04%
    Sweet 32.32%
    Fatty 32.01%
    Grapefruit 28.13%
    Neroli 26.87%
    Herbal 26.85%
    Green 25.56%

     

    Flavor
    Herbal 36.54%
    Woody 30.2%
    Mild 21.65%
    Fruity 21.01%
    Terpentine 20.11%
    Diterpene 20.1%
    Low 20.05%
    Delicate 19.92%
    Balsam 19.58%
    Faint 19.57%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    6.85 (neutral)

    Molecular weight
    275.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    382°C

    Flash point

    • 177.98 ˚C est.

  • Synonyms

    • Methylanthranilate isononylaldehyde
    • EINECS 267-788-8
    • Benzoic acid, 2-(isononylideneamino)-, methyl ester
    • 67923-84-6
    • RefChem:118337
    • Methyl 2-(isononylideneamino)benzoate
    • 67923-84-6

  • Applications

    Benzoic acid, 2-(isononylideneamino)-, methyl ester (CAS 67923-84-6) is used as a fragrance ingredient and odorant in perfumery and cosmetics, and may function as a fragrance fixative in formulated products. It is also employed as an intermediate in organic synthesis to prepare benzoic acid derivatives and Schiff base building blocks for polymers and coatings/inks. Additionally, it may serve as an intermediate in the production of plastics, adhesives, and related polymer systems. These applications depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1508.19
    methanol 1844.4
    isopropanol 777.93
    water 0.18
    ethyl acetate 1077.1
    n-propanol 1143.47
    acetone 1530.95
    n-butanol 696.16
    acetonitrile 657.16
    DMF 1359.97
    toluene 238.86
    isobutanol 593.01
    1,4-dioxane 900.25
    methyl acetate 755.92
    THF 960.67
    2-butanone 944.5
    n-pentanol 359.12
    sec-butanol 549.52
    n-hexane 3.1
    ethylene glycol 99.41
    NMP 631.66
    cyclohexane 13.57
    DMSO 1769.52
    n-butyl acetate 231.66
    n-octanol 34.2
    chloroform 1589.64
    n-propyl acetate 333.11
    acetic acid 664.04
    dichloromethane 1956.83
    cyclohexanone 876.84
    propylene glycol 275.19
    isopropyl acetate 387.93
    DMAc 864.94
    2-ethoxyethanol 695.6
    isopentanol 439.54
    n-heptane 1.53
    ethyl formate 480.34
    1,2-dichloroethane 1459.75
    n-hexanol 186.83
    2-methoxyethanol 1558.26
    isobutyl acetate 160.93
    tetrachloromethane 105.48
    n-pentyl acetate 124.25
    transcutol 1304.39
    n-heptanol 65.35
    ethylbenzene 60.9
    MIBK 277.4
    2-propoxyethanol 455.52
    tert-butanol 520.6
    MTBE 388.65
    2-butoxyethanol 217.38
    propionic acid 462.24
    o-xylene 105.34
    formic acid 221.44
    diethyl ether 458.03
    m-xylene 113.46
    p-xylene 74.1
    chlorobenzene 358.5
    dimethyl carbonate 227.71
    n-octane 1.2
    formamide 522.79
    cyclopentanone 1016.63
    2-pentanone 767.11
    anisole 192.14
    cyclopentyl methyl ether 406.46
    gamma-butyrolactone 1040.64
    1-methoxy-2-propanol 904.69
    pyridine 753.86
    3-pentanone 433.41
    furfural 698.91
    n-dodecane 1.19
    diethylene glycol 352.73
    diisopropyl ether 53.08
    tert-amyl alcohol 359.33
    acetylacetone 685.49
    n-hexadecane 1.4
    acetophenone 206.97
    methyl propionate 725.43
    isopentyl acetate 195.13
    trichloroethylene 2202.9
    n-nonanol 32.39
    cyclohexanol 366.9
    benzyl alcohol 242.85
    2-ethylhexanol 65.66
    isooctanol 54.42
    dipropyl ether 54.8
    1,2-dichlorobenzene 274.94
    ethyl lactate 147.94
    propylene carbonate 469.67
    n-methylformamide 863.84
    2-pentanol 278.67
    n-pentane 3.83
    1-propoxy-2-propanol 247.86
    1-methoxy-2-propyl acetate 295.15
    2-(2-methoxypropoxy) propanol 134.31
    mesitylene 52.09
    ε-caprolactone 622.81
    p-cymene 26.54
    epichlorohydrin 1702.33
    1,1,1-trichloroethane 648.68
    2-aminoethanol 420.93
    morpholine-4-carbaldehyde 654.18
    sulfolane 984.05
    2,2,4-trimethylpentane 5.76
    2-methyltetrahydrofuran 729.28
    n-hexyl acetate 117.16
    isooctane 3.83
    2-(2-butoxyethoxy)ethanol 245.44
    sec-butyl acetate 182.82
    tert-butyl acetate 285.07
    decalin 6.72
    glycerin 276.05
    diglyme 549.21
    acrylic acid 338.13
    isopropyl myristate 30.71
    n-butyric acid 856.91
    acetyl acetate 367.44
    di(2-ethylhexyl) phthalate 49.44
    ethyl propionate 258.27
    nitromethane 1415.82
    1,2-diethoxyethane 273.57
    benzonitrile 243.23
    trioctyl phosphate 33.17
    1-bromopropane 456.0
    gamma-valerolactone 1368.54
    n-decanol 22.86
    triethyl phosphate 61.77
    4-methyl-2-pentanol 111.59
    propionitrile 444.42
    vinylene carbonate 396.42
    1,1,2-trichlorotrifluoroethane 858.65
    DMS 146.02
    cumene 36.65
    2-octanol 32.44
    2-hexanone 265.34
    octyl acetate 44.37
    limonene 38.89
    1,2-dimethoxyethane 723.22
    ethyl orthosilicate 59.61
    tributyl phosphate 41.06
    diacetone alcohol 374.03
    N,N-dimethylaniline 95.34
    acrylonitrile 554.66
    aniline 425.02
    1,3-propanediol 654.88
    bromobenzene 338.83
    dibromomethane 983.77
    1,1,2,2-tetrachloroethane 1578.25
    2-methyl-cyclohexyl acetate 102.09
    tetrabutyl urea 52.76
    diisobutyl methanol 35.27
    2-phenylethanol 171.98
    styrene 97.41
    dioctyl adipate 62.82
    dimethyl sulfate 310.78
    ethyl butyrate 142.83
    methyl lactate 282.32
    butyl lactate 125.04
    diethyl carbonate 95.37
    propanediol butyl ether 173.79
    triethyl orthoformate 92.31
    p-tert-butyltoluene 25.14
    methyl 4-tert-butylbenzoate 118.6
    morpholine 1505.52
    tert-butylamine 186.29
    n-dodecanol 16.46
    dimethoxymethane 961.82
    ethylene carbonate 348.66
    cyrene 181.28
    2-ethoxyethyl acetate 253.25
    2-ethylhexyl acetate 124.28
    1,2,4-trichlorobenzene 318.57
    4-methylpyridine 689.4
    dibutyl ether 38.48
    2,6-dimethyl-4-heptanol 35.27
    DEF 697.98
    dimethyl isosorbide 241.06
    tetrachloroethylene 797.68
    eugenol 134.83
    triacetin 139.86
    span 80 111.07
    1,4-butanediol 213.83
    1,1-dichloroethane 1186.68
    2-methyl-1-pentanol 261.24
    methyl formate 507.95
    2-methyl-1-butanol 458.03
    n-decane 1.86
    butyronitrile 449.48
    3,7-dimethyl-1-octanol 42.96
    1-chlorooctane 18.78
    1-chlorotetradecane 6.36
    n-nonane 1.51
    undecane 1.44
    tert-butylcyclohexane 5.58
    cyclooctane 3.05
    cyclopentanol 391.57
    tetrahydropyran 867.36
    tert-amyl methyl ether 202.08
    2,5,8-trioxanonane 268.7
    1-hexene 34.09
    2-isopropoxyethanol 366.23
    2,2,2-trifluoroethanol 188.99
    methyl butyrate 391.85

    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