Methyl 2-(decylideneamino)benzoate

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  • Identifiers

    CAS number
    67874-67-3

    Molecular formula
    C18H27NO2

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

  • Odor profile

    Fragrance
    Floral 75.9%
    Sweet 63.75%
    Fresh 63.13%
    Waxy 58.56%
    Fatty 58.04%
    Citrus 49.63%
    Aldehydic 43.97%
    Neroli 43.68%
    Orange 42.2%
    Rose 39.52%

     

    Flavor
    Herbal 45.64%
    Oily 28.89%
    Fruity 28.86%
    Waxy 27.35%
    Woody 25.46%
    Jasmin 24.7%
    Warm 23.12%
    Floral 22.54%
    Green 22.51%
    Mild 21.52%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    6.57 (neutral)

    Molecular weight
    289.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    385°C

    Flash point

    • 183.04 ˚C est.

  • Synonyms

    • Methyl 2-(decylideneamino)benzoate
    • 67874-67-3
    • Benzoic acid, 2-(decylideneamino)-, methyl ester
    • 04ZKF7V5JS
    • EINECS 267-495-5
    • Decanal / methylanthranilate (Schiff Base)
    • DTXSID9070743
    • Benzoic acid, 2-(n-decylidene)amino-, methyl ester
    • UNII-04ZKF7V5JS
    • SCHEMBL3504569
    • DTXCID6045169
    • IKRROOGGEXPVSO-UHFFFAOYSA-N
    • decanal / methyl anthranilate schiff's base
    • NS00012879
    • 267-495-5

  • Applications

    Methyl 2-(decylideneamino)benzoate (CAS 67874-67-3) is primarily used as an organic-synthesis intermediate and building block for more complex molecules. It can function as a Schiff-base ligand in coordination chemistry and metal-catalyzed processes. It serves as a precursor in the synthesis of dyes and pigments and can be incorporated as a functional monomer or crosslinker in specialty polymers and coatings formulations. It may also appear as a precursor for pharmaceutical and agrochemical intermediates in research contexts, subject to formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2720.35
    methanol 2320.27
    isopropanol 2004.35
    water 0.07
    ethyl acetate 4419.72
    n-propanol 2664.97
    acetone 6835.1
    n-butanol 2095.79
    acetonitrile 3082.47
    DMF 6849.3
    toluene 2788.77
    isobutanol 1865.95
    1,4-dioxane 3583.13
    methyl acetate 3277.36
    THF 5673.68
    2-butanone 4772.28
    n-pentanol 1100.73
    sec-butanol 1960.17
    n-hexane 91.86
    ethylene glycol 164.48
    NMP 5056.72
    cyclohexane 417.37
    DMSO 6219.32
    n-butyl acetate 1410.64
    n-octanol 235.63
    chloroform 9364.36
    n-propyl acetate 1797.17
    acetic acid 1719.43
    dichloromethane 12320.52
    cyclohexanone 6735.78
    propylene glycol 432.1
    isopropyl acetate 2032.75
    DMAc 4378.25
    2-ethoxyethanol 1567.46
    isopentanol 1486.89
    n-heptane 33.2
    ethyl formate 1837.5
    1,2-dichloroethane 10255.78
    n-hexanol 660.99
    2-methoxyethanol 3073.91
    isobutyl acetate 892.88
    tetrachloromethane 908.95
    n-pentyl acetate 889.52
    transcutol 3743.81
    n-heptanol 275.43
    ethylbenzene 645.79
    MIBK 1500.54
    2-propoxyethanol 1273.23
    tert-butanol 1624.84
    MTBE 2175.66
    2-butoxyethanol 726.9
    propionic acid 1591.42
    o-xylene 919.05
    formic acid 319.02
    diethyl ether 2963.59
    m-xylene 1042.81
    p-xylene 785.24
    chlorobenzene 3379.73
    dimethyl carbonate 1173.11
    n-octane 17.47
    formamide 943.72
    cyclopentanone 6721.31
    2-pentanone 3959.52
    anisole 1353.67
    cyclopentyl methyl ether 3269.25
    gamma-butyrolactone 5741.77
    1-methoxy-2-propanol 2116.06
    pyridine 5757.5
    3-pentanone 2727.07
    furfural 3670.34
    n-dodecane 14.43
    diethylene glycol 694.78
    diisopropyl ether 483.6
    tert-amyl alcohol 1458.62
    acetylacetone 3531.97
    n-hexadecane 17.94
    acetophenone 1315.32
    methyl propionate 3390.49
    isopentyl acetate 1144.92
    trichloroethylene 14519.04
    n-nonanol 220.7
    cyclohexanol 2346.93
    benzyl alcohol 1087.64
    2-ethylhexanol 367.85
    isooctanol 258.39
    dipropyl ether 572.75
    1,2-dichlorobenzene 2297.96
    ethyl lactate 539.15
    propylene carbonate 2562.34
    n-methylformamide 2944.15
    2-pentanol 1251.05
    n-pentane 109.7
    1-propoxy-2-propanol 839.42
    1-methoxy-2-propyl acetate 1247.61
    2-(2-methoxypropoxy) propanol 484.07
    mesitylene 464.5
    ε-caprolactone 3997.45
    p-cymene 207.28
    epichlorohydrin 9013.59
    1,1,1-trichloroethane 6062.91
    2-aminoethanol 666.28
    morpholine-4-carbaldehyde 3225.03
    sulfolane 6526.17
    2,2,4-trimethylpentane 66.26
    2-methyltetrahydrofuran 4896.0
    n-hexyl acetate 977.45
    isooctane 42.13
    2-(2-butoxyethoxy)ethanol 843.28
    sec-butyl acetate 1036.03
    tert-butyl acetate 1649.75
    decalin 116.74
    glycerin 470.17
    diglyme 2069.67
    acrylic acid 1235.27
    isopropyl myristate 264.38
    n-butyric acid 2935.79
    acetyl acetate 1766.32
    di(2-ethylhexyl) phthalate 254.33
    ethyl propionate 1599.36
    nitromethane 4505.17
    1,2-diethoxyethane 1421.66
    benzonitrile 1693.55
    trioctyl phosphate 171.85
    1-bromopropane 4544.44
    gamma-valerolactone 6425.63
    n-decanol 146.26
    triethyl phosphate 311.21
    4-methyl-2-pentanol 455.21
    propionitrile 2515.25
    vinylene carbonate 2112.19
    1,1,2-trichlorotrifluoroethane 3591.8
    DMS 951.38
    cumene 301.96
    2-octanol 199.88
    2-hexanone 1655.81
    octyl acetate 364.99
    limonene 374.31
    1,2-dimethoxyethane 2469.34
    ethyl orthosilicate 292.96
    tributyl phosphate 239.99
    diacetone alcohol 1491.08
    N,N-dimethylaniline 626.25
    acrylonitrile 3020.31
    aniline 2686.2
    1,3-propanediol 1187.15
    bromobenzene 3908.99
    dibromomethane 7333.33
    1,1,2,2-tetrachloroethane 10851.66
    2-methyl-cyclohexyl acetate 569.12
    tetrabutyl urea 345.75
    diisobutyl methanol 196.97
    2-phenylethanol 724.43
    styrene 1102.3
    dioctyl adipate 413.98
    dimethyl sulfate 1629.98
    ethyl butyrate 862.64
    methyl lactate 960.19
    butyl lactate 595.47
    diethyl carbonate 506.76
    propanediol butyl ether 601.93
    triethyl orthoformate 471.47
    p-tert-butyltoluene 192.59
    methyl 4-tert-butylbenzoate 627.21
    morpholine 5710.37
    tert-butylamine 892.05
    n-dodecanol 104.84
    dimethoxymethane 3327.75
    ethylene carbonate 1917.6
    cyrene 659.06
    2-ethoxyethyl acetate 1301.12
    2-ethylhexyl acetate 817.26
    1,2,4-trichlorobenzene 2763.74
    4-methylpyridine 5349.67
    dibutyl ether 488.11
    2,6-dimethyl-4-heptanol 196.97
    DEF 4248.94
    dimethyl isosorbide 1024.79
    tetrachloroethylene 5437.58
    eugenol 615.89
    triacetin 809.0
    span 80 484.8
    1,4-butanediol 408.69
    1,1-dichloroethane 8460.45
    2-methyl-1-pentanol 927.14
    methyl formate 1865.56
    2-methyl-1-butanol 1715.39
    n-decane 25.93
    butyronitrile 2544.29
    3,7-dimethyl-1-octanol 280.97
    1-chlorooctane 247.18
    1-chlorotetradecane 74.46
    n-nonane 23.82
    undecane 18.2
    tert-butylcyclohexane 78.26
    cyclooctane 74.5
    cyclopentanol 2239.81
    tetrahydropyran 5841.82
    tert-amyl methyl ether 1374.33
    2,5,8-trioxanonane 968.69
    1-hexene 612.73
    2-isopropoxyethanol 977.41
    2,2,2-trifluoroethanol 517.83
    methyl butyrate 2389.82

    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