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

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  • Identifiers

    CAS number
    67924-14-5

    Molecular formula
    C20H31NO2

    SMILES
    CCCCCCCCCCCC=NC1=CC=CC=C1C(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Floral 67.59%
    Waxy 60.77%
    Fatty 60.73%
    Sweet 57.82%
    Fresh 56.33%
    Citrus 44.95%
    Aldehydic 39.37%
    Neroli 38.54%
    Oily 38.45%
    Orange 37.98%

     

    Flavor
    Herbal 39.67%
    Oily 27.97%
    Waxy 27.69%
    Fruity 23.37%
    Mild 23.25%
    Woody 22.95%
    Jasmin 22.6%
    Warm 21.02%
    Slightly waxy 20.18%
    Bland 20.03%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    6.72 (neutral)

    Molecular weight
    317.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    413°C

    Flash point

    • 194.12 ˚C est.

  • Synonyms

    • 67924-14-5
    • Benzoic acid, 2-(dodecylideneamino)-, methyl ester
    • EINECS 267-799-8
    • DTXSID0070861
    • RefChem:565452
    • DTXCID6045290
    • Methyl 2-(dodecylideneamino)benzoate
    • 6BDS7F2FD2
    • SCHEMBL28846616
    • SQTIJQJOTPMGND-UHFFFAOYSA-N
    • NS00012888
    • 67924-14-5

  • Applications

    Benzoic acid, 2-(dodecylideneamino)-, methyl ester (CAS 67924-14-5) is primarily used as an organic-synthesis intermediate, providing a building block for the functionalization of substituted benzoic acid derivatives, including Schiff bases and related imine or amide precursors in pharmaceutical and agrochemical development. It can serve in dye and pigment chemistry as a precursor to functionalized benzoic-acid–based colorants. In polymer and coating formulations, it may act as a specialty ester intermediate for functional resins and adhesion-promoting components. In fragrance chemistry, it may be evaluated as a precursor for aroma compounds. It is also of interest in materials science and polymer research as a starting point for the synthesis of functional ligands or monomeric precursors for specialty polymers.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2217.1
    methanol 1817.49
    isopropanol 1900.94
    water 0.17
    ethyl acetate 4392.66
    n-propanol 2325.49
    acetone 6577.84
    n-butanol 1890.95
    acetonitrile 2688.69
    DMF 6151.19
    toluene 2451.58
    isobutanol 1768.38
    1,4-dioxane 3700.22
    methyl acetate 3223.25
    THF 6392.95
    2-butanone 4680.28
    n-pentanol 1004.21
    sec-butanol 1788.8
    n-hexane 124.2
    ethylene glycol 133.48
    NMP 5358.63
    cyclohexane 680.34
    DMSO 5611.6
    n-butyl acetate 1540.08
    n-octanol 272.02
    chloroform 9443.22
    n-propyl acetate 2087.52
    acetic acid 1684.98
    dichloromethane 12336.91
    cyclohexanone 7514.69
    propylene glycol 353.94
    isopropyl acetate 2243.17
    DMAc 4587.14
    2-ethoxyethanol 1454.64
    isopentanol 1454.51
    n-heptane 52.3
    ethyl formate 1856.29
    1,2-dichloroethane 10313.32
    n-hexanol 600.61
    2-methoxyethanol 2611.37
    isobutyl acetate 1075.66
    tetrachloromethane 1323.91
    n-pentyl acetate 1183.16
    transcutol 3446.85
    n-heptanol 318.03
    ethylbenzene 654.07
    MIBK 1750.8
    2-propoxyethanol 1173.45
    tert-butanol 1628.92
    MTBE 2321.62
    2-butoxyethanol 826.97
    propionic acid 1632.44
    o-xylene 962.87
    formic acid 316.97
    diethyl ether 2913.32
    m-xylene 1003.85
    p-xylene 873.28
    chlorobenzene 3336.41
    dimethyl carbonate 1218.01
    n-octane 27.73
    formamide 955.58
    cyclopentanone 7369.97
    2-pentanone 4039.97
    anisole 1355.22
    cyclopentyl methyl ether 3487.06
    gamma-butyrolactone 6467.28
    1-methoxy-2-propanol 1898.02
    pyridine 5514.49
    3-pentanone 2823.6
    furfural 3720.4
    n-dodecane 19.61
    diethylene glycol 582.47
    diisopropyl ether 549.58
    tert-amyl alcohol 1439.85
    acetylacetone 3713.08
    n-hexadecane 24.46
    acetophenone 1375.96
    methyl propionate 3294.2
    isopentyl acetate 1271.62
    trichloroethylene 14028.48
    n-nonanol 259.41
    cyclohexanol 2460.25
    benzyl alcohol 1014.5
    2-ethylhexanol 385.57
    isooctanol 308.72
    dipropyl ether 707.76
    1,2-dichlorobenzene 2451.41
    ethyl lactate 600.19
    propylene carbonate 2876.17
    n-methylformamide 2692.42
    2-pentanol 1209.59
    n-pentane 151.54
    1-propoxy-2-propanol 840.53
    1-methoxy-2-propyl acetate 1324.85
    2-(2-methoxypropoxy) propanol 503.19
    mesitylene 506.45
    ε-caprolactone 4558.12
    p-cymene 240.01
    epichlorohydrin 8992.38
    1,1,1-trichloroethane 6957.53
    2-aminoethanol 548.58
    morpholine-4-carbaldehyde 3417.45
    sulfolane 7255.16
    2,2,4-trimethylpentane 86.91
    2-methyltetrahydrofuran 5415.61
    n-hexyl acetate 1181.62
    isooctane 52.04
    2-(2-butoxyethoxy)ethanol 863.88
    sec-butyl acetate 1218.8
    tert-butyl acetate 1910.6
    decalin 156.51
    glycerin 399.35
    diglyme 2224.27
    acrylic acid 1216.24
    isopropyl myristate 305.3
    n-butyric acid 2943.94
    acetyl acetate 1941.79
    di(2-ethylhexyl) phthalate 278.36
    ethyl propionate 1818.11
    nitromethane 4455.31
    1,2-diethoxyethane 1493.93
    benzonitrile 1668.44
    trioctyl phosphate 198.5
    1-bromopropane 4847.65
    gamma-valerolactone 6935.87
    n-decanol 169.04
    triethyl phosphate 381.55
    4-methyl-2-pentanol 482.13
    propionitrile 2415.55
    vinylene carbonate 2303.47
    1,1,2-trichlorotrifluoroethane 3578.01
    DMS 1096.73
    cumene 321.73
    2-octanol 245.41
    2-hexanone 1850.06
    octyl acetate 428.24
    limonene 454.54
    1,2-dimethoxyethane 2476.92
    ethyl orthosilicate 362.21
    tributyl phosphate 275.78
    diacetone alcohol 1637.95
    N,N-dimethylaniline 667.82
    acrylonitrile 2727.56
    aniline 2449.63
    1,3-propanediol 1059.35
    bromobenzene 3821.01
    dibromomethane 7391.32
    1,1,2,2-tetrachloroethane 11132.75
    2-methyl-cyclohexyl acetate 695.12
    tetrabutyl urea 397.0
    diisobutyl methanol 223.6
    2-phenylethanol 692.0
    styrene 1059.11
    dioctyl adipate 490.0
    dimethyl sulfate 1837.25
    ethyl butyrate 1056.66
    methyl lactate 965.66
    butyl lactate 714.71
    diethyl carbonate 601.19
    propanediol butyl ether 630.6
    triethyl orthoformate 586.62
    p-tert-butyltoluene 219.11
    methyl 4-tert-butylbenzoate 742.48
    morpholine 5623.53
    tert-butylamine 935.41
    n-dodecanol 119.47
    dimethoxymethane 3103.02
    ethylene carbonate 2203.82
    cyrene 708.05
    2-ethoxyethyl acetate 1544.77
    2-ethylhexyl acetate 948.35
    1,2,4-trichlorobenzene 2888.71
    4-methylpyridine 4856.01
    dibutyl ether 606.42
    2,6-dimethyl-4-heptanol 223.6
    DEF 4307.09
    dimethyl isosorbide 1120.97
    tetrachloroethylene 5959.04
    eugenol 676.75
    triacetin 1015.85
    span 80 523.55
    1,4-butanediol 365.76
    1,1-dichloroethane 8507.03
    2-methyl-1-pentanol 885.42
    methyl formate 1755.07
    2-methyl-1-butanol 1618.01
    n-decane 37.55
    butyronitrile 2436.62
    3,7-dimethyl-1-octanol 313.75
    1-chlorooctane 326.21
    1-chlorotetradecane 90.9
    n-nonane 35.57
    undecane 25.4
    tert-butylcyclohexane 99.11
    cyclooctane 117.18
    cyclopentanol 2394.51
    tetrahydropyran 6313.62
    tert-amyl methyl ether 1466.01
    2,5,8-trioxanonane 1009.85
    1-hexene 676.99
    2-isopropoxyethanol 979.94
    2,2,2-trifluoroethanol 624.34
    methyl butyrate 2682.92

    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