Benzoic acid, 2-[(2-methylpentylidene)amino]-, methyl ester

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  • Identifiers

    CAS number
    50607-64-2

    Molecular formula
    C14H19NO2

    SMILES
    CCCC(C)C=NC1=CC=CC=C1C(=O)OC

  • Odor profile

    Fragrance
    Green 78.88%
    Sweet 66.3%
    Floral 64.49%
    Fruity 63.69%
    Fresh 61.6%
    Citrus 47.32%
    Leafy 42.58%
    Grape 35.56%
    Herbal 34.0%
    Aldehydic 31.81%

     

    Flavor
    Herbal 42.89%
    Fruity 35.91%
    Bitter 24.11%
    Floral 22.98%
    Green 22.89%
    Woody 21.75%
    Spicy 19.82%
    Heather 19.78%
    Genet 19.69%
    Broom 19.66%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    6.38 (neutral)

    Molecular weight
    233.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    320°C

    Flash point

    • 151.83 ˚C est.

  • Synonyms

    • 50607-64-2
    • Mevantraal
    • methyl 2-[(2-methylpentylidene)amino]benzoate
    • Methyl N-(2-methylpentylidene)anthranilate
    • methyl 2-(2-methylpentylideneamino)benzoate
    • KVC5M5005S
    • Methyl 2-(2-methylpentylidene)anthranilate
    • METHYL 2-METHYLPENTYLIDENE ANTHRANILATE
    • Methyl 2-((2-methylpentylidene)amino)benzoate
    • EINECS 256-650-2
    • DTXSID8052142
    • Benzoic acid, 2-((2-methylpentylidene)amino)-, methyl ester
    • Benzoic acid, 2-[(2-methylpentylidene)amino]-, methyl ester
    • UNII-KVC5M5005S
    • green carboxylate
    • SCHEMBL3503776
    • DTXCID3030711
    • methyl-N-(2-methylpentylidene)anthranilate
    • NS00012925
    • Q27282458
    • Benzoic acid, 2-(2-methylpentylidene)amino-, methyl ester

  • Applications

    Benzoic acid, 2-[(2-methylpentylidene)amino]-, methyl ester (CAS 50607-64-2) is primarily used as a specialty organic intermediate in the synthesis of fragrance compounds and pigment precursors; it can serve as a building block in polymer and coating formulations, where it may provide linkage points or functional groups; in the cosmetics and personal care sector it is often evaluated as a precursor for fragrance components or active ingredients; in industrial manufacturing it appears as an intermediate for bespoke organic molecules and specialty polymers; in coatings and inks it may be used as a resin-modifying intermediate or as a linker for polymer systems; and in pharmaceutical research it may be used as a synthetic building block in medicinal chemistry projects, with all applications subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2064.2
    methanol 1832.4
    isopropanol 1352.4
    water 0.07
    ethyl acetate 3777.52
    n-propanol 1932.49
    acetone 4503.09
    n-butanol 1962.62
    acetonitrile 2958.64
    DMF 7310.72
    toluene 3350.4
    isobutanol 1520.41
    1,4-dioxane 2874.84
    methyl acetate 2762.29
    THF 3950.34
    2-butanone 3827.19
    n-pentanol 1067.36
    sec-butanol 1611.07
    n-hexane 116.86
    ethylene glycol 275.28
    NMP 5013.06
    cyclohexane 257.29
    DMSO 5127.55
    n-butyl acetate 1508.76
    n-octanol 223.55
    chloroform 8356.91
    n-propyl acetate 1296.79
    acetic acid 1779.59
    dichloromethane 9141.25
    cyclohexanone 4876.9
    propylene glycol 575.32
    isopropyl acetate 1612.28
    DMAc 4078.42
    2-ethoxyethanol 1443.11
    isopentanol 1628.51
    n-heptane 26.78
    ethyl formate 1542.88
    1,2-dichloroethane 7776.99
    n-hexanol 948.58
    2-methoxyethanol 3174.55
    isobutyl acetate 650.03
    tetrachloromethane 628.29
    n-pentyl acetate 626.77
    transcutol 4682.0
    n-heptanol 277.4
    ethylbenzene 751.88
    MIBK 1329.8
    2-propoxyethanol 1523.46
    tert-butanol 1421.54
    MTBE 1941.15
    2-butoxyethanol 691.02
    propionic acid 1364.99
    o-xylene 1019.73
    formic acid 472.19
    diethyl ether 2534.12
    m-xylene 1245.81
    p-xylene 808.86
    chlorobenzene 3562.05
    dimethyl carbonate 1241.32
    n-octane 12.07
    formamide 1297.35
    cyclopentanone 4871.84
    2-pentanone 3441.14
    anisole 1607.04
    cyclopentyl methyl ether 2689.32
    gamma-butyrolactone 4327.1
    1-methoxy-2-propanol 2310.22
    pyridine 5134.1
    3-pentanone 2336.01
    furfural 3750.55
    n-dodecane 10.21
    diethylene glycol 988.9
    diisopropyl ether 474.25
    tert-amyl alcohol 1467.81
    acetylacetone 3052.05
    n-hexadecane 12.88
    acetophenone 1367.59
    methyl propionate 3164.51
    isopentyl acetate 1168.85
    trichloroethylene 14128.03
    n-nonanol 201.46
    cyclohexanol 2104.04
    benzyl alcohol 1337.05
    2-ethylhexanol 453.73
    isooctanol 233.7
    dipropyl ether 460.07
    1,2-dichlorobenzene 2366.25
    ethyl lactate 482.49
    propylene carbonate 2105.45
    n-methylformamide 2998.95
    2-pentanol 1260.24
    n-pentane 117.14
    1-propoxy-2-propanol 932.35
    1-methoxy-2-propyl acetate 1327.56
    2-(2-methoxypropoxy) propanol 579.8
    mesitylene 502.45
    ε-caprolactone 3363.4
    p-cymene 214.7
    epichlorohydrin 7632.36
    1,1,1-trichloroethane 4848.36
    2-aminoethanol 818.38
    morpholine-4-carbaldehyde 3570.28
    sulfolane 4803.75
    2,2,4-trimethylpentane 69.33
    2-methyltetrahydrofuran 3537.09
    n-hexyl acetate 842.9
    isooctane 49.61
    2-(2-butoxyethoxy)ethanol 1033.86
    sec-butyl acetate 828.04
    tert-butyl acetate 1451.08
    decalin 106.48
    glycerin 680.01
    diglyme 2048.04
    acrylic acid 1325.05
    isopropyl myristate 229.18
    n-butyric acid 2256.17
    acetyl acetate 1618.01
    di(2-ethylhexyl) phthalate 257.27
    ethyl propionate 1208.69
    nitromethane 4331.38
    1,2-diethoxyethane 1291.53
    benzonitrile 2003.97
    trioctyl phosphate 171.06
    1-bromopropane 3223.49
    gamma-valerolactone 5119.21
    n-decanol 140.64
    triethyl phosphate 263.03
    4-methyl-2-pentanol 501.28
    propionitrile 2135.76
    vinylene carbonate 2052.31
    1,1,2-trichlorotrifluoroethane 3764.16
    DMS 898.9
    cumene 332.59
    2-octanol 182.52
    2-hexanone 1431.63
    octyl acetate 328.95
    limonene 370.18
    1,2-dimethoxyethane 2133.53
    ethyl orthosilicate 256.74
    tributyl phosphate 238.97
    diacetone alcohol 1484.0
    N,N-dimethylaniline 750.96
    acrylonitrile 3051.81
    aniline 3258.09
    1,3-propanediol 1292.67
    bromobenzene 4304.2
    dibromomethane 5648.1
    1,1,2,2-tetrachloroethane 10089.38
    2-methyl-cyclohexyl acetate 485.03
    tetrabutyl urea 317.14
    diisobutyl methanol 205.36
    2-phenylethanol 1003.02
    styrene 1273.33
    dioctyl adipate 366.68
    dimethyl sulfate 1743.38
    ethyl butyrate 734.57
    methyl lactate 1033.55
    butyl lactate 485.76
    diethyl carbonate 443.32
    propanediol butyl ether 673.26
    triethyl orthoformate 405.58
    p-tert-butyltoluene 203.68
    methyl 4-tert-butylbenzoate 545.83
    morpholine 4534.2
    tert-butylamine 849.17
    n-dodecanol 101.67
    dimethoxymethane 3127.44
    ethylene carbonate 1613.98
    cyrene 672.09
    2-ethoxyethyl acetate 1075.49
    2-ethylhexyl acetate 863.27
    1,2,4-trichlorobenzene 2780.78
    4-methylpyridine 6178.02
    dibutyl ether 383.91
    2,6-dimethyl-4-heptanol 205.36
    DEF 4097.79
    dimethyl isosorbide 1080.03
    tetrachloroethylene 4766.15
    eugenol 608.4
    triacetin 635.94
    span 80 514.13
    1,4-butanediol 450.12
    1,1-dichloroethane 6700.79
    2-methyl-1-pentanol 1067.68
    methyl formate 1898.08
    2-methyl-1-butanol 1844.8
    n-decane 17.83
    butyronitrile 2408.06
    3,7-dimethyl-1-octanol 312.98
    1-chlorooctane 194.36
    1-chlorotetradecane 63.07
    n-nonane 16.34
    undecane 12.95
    tert-butylcyclohexane 80.13
    cyclooctane 61.21
    cyclopentanol 1574.79
    tetrahydropyran 3851.68
    tert-amyl methyl ether 1339.77
    2,5,8-trioxanonane 1031.7
    1-hexene 670.06
    2-isopropoxyethanol 902.85
    2,2,2-trifluoroethanol 567.96
    methyl butyrate 1693.6

    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