Benzoic acid, 2-[[2-methyl-3-[4-(1-methylethyl)phenyl]propylidene]amino]-, methyl ester

Overview IFRA Request a quote

  • Identifiers

    CAS number
    91-50-9

    Molecular formula
    C21H25NO2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 78.24%
    Green 75.88%
    Fresh 70.79%
    Lily 53.74%
    Citrus 44.96%
    Aldehydic 44.2%
    Muguet 43.33%
    Leafy 42.78%
    Neroli 42.55%
    Sweet 40.54%

     

    Flavor
    Herbal 40.35%
    Bitter 32.79%
    Fruity 30.24%
    Green 25.06%
    Floral 24.35%
    Woody 21.66%
    Herb 20.22%
    Heather 19.74%
    Broom 19.62%
    Butyric 19.61%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    6.01 (neutral)

    Molecular weight
    323.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    412°C

    Flash point

    • 199.59 ˚C est.

  • Synonyms

    • 91-50-9
    • Benzoic acid, 2-[[2-methyl-3-[4-(1-methylethyl)phenyl]propylidene]amino]-, methyl ester
    • Cyclamen aldehyde methyl anthranilate
    • Methyl 2-((2-methyl-3-(4-(1-methylethyl)phenyl)propylidene)amino)benzoate
    • 78J2J6IE6R
    • DTXSID70861685
    • methyl 2-[[2-methyl-3-(4-propan-2-ylphenyl)propylidene]amino]benzoate
    • Cyclantine
    • Cyrantiol
    • Methyl 2-[[2-methyl-3-[4-(1-methylethyl)phenyl]propylidene]amino]benzoate
    • Benzoic acid, 2-((2-methyl-3-(4-(1-methylethyl)phenyl)propylidene)amino)-, methyl ester
    • Cyclamen aldehyde methylanthranilate
    • UNII-78J2J6IE6R
    • EINECS 202-072-0
    • SCHEMBL15913730
    • DTXCID70810572
    • GPMKWOCILXNQON-UHFFFAOYSA-N
    • NS00012148
    • Q27266668
    • 2-((2-Methyl-3-(4-(1-methylethyl)phenyl)propylidene)amino)benzoic acid, methyl ester
    • ANTHRANILIC ACID, N-(3-P-CUMENYL-2-METHYLPROPYLIDENE)-, METHYL ESTER

  • Applications

    Chemical name: Benzoic acid, 2-[[2-methyl-3-[4-(1-methylethyl)phenyl]propylidene]amino]-, methyl ester; CAS number: 91-50-9. This compound is primarily used as a specialty chemical intermediate and a building block in fragrance chemistry, commonly involved in the synthesis of aroma compounds for the perfumery and cosmetics sectors. It may serve as a precursor in fragrance-containing formulations for personal care products and household cleaners, and can also function as an intermediate in the industrial production of specialty chemicals, with potential use in fragrance-infused coatings and inks under appropriate regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 203.12
    methanol 135.97
    isopropanol 143.17
    water 0.01
    ethyl acetate 675.26
    n-propanol 249.96
    acetone 690.54
    n-butanol 233.33
    acetonitrile 221.51
    DMF 881.64
    toluene 880.62
    isobutanol 184.26
    1,4-dioxane 716.05
    methyl acetate 513.74
    THF 1547.48
    2-butanone 813.69
    n-pentanol 181.85
    sec-butanol 228.17
    n-hexane 15.91
    ethylene glycol 9.66
    NMP 836.97
    cyclohexane 34.82
    DMSO 464.74
    n-butyl acetate 255.38
    n-octanol 39.94
    chloroform 2728.44
    n-propyl acetate 282.44
    acetic acid 140.39
    dichloromethane 3105.78
    cyclohexanone 1025.8
    propylene glycol 40.53
    isopropyl acetate 293.36
    DMAc 962.3
    2-ethoxyethanol 274.36
    isopentanol 199.51
    n-heptane 6.26
    ethyl formate 207.45
    1,2-dichloroethane 1997.91
    n-hexanol 141.3
    2-methoxyethanol 363.04
    isobutyl acetate 167.38
    tetrachloromethane 130.89
    n-pentyl acetate 151.85
    transcutol 805.61
    n-heptanol 61.76
    ethylbenzene 178.71
    MIBK 292.46
    2-propoxyethanol 289.55
    tert-butanol 162.65
    MTBE 321.65
    2-butoxyethanol 153.14
    propionic acid 156.7
    o-xylene 235.9
    formic acid 28.44
    diethyl ether 562.09
    m-xylene 299.64
    p-xylene 188.62
    chlorobenzene 793.39
    dimethyl carbonate 228.57
    n-octane 3.17
    formamide 88.82
    cyclopentanone 1232.11
    2-pentanone 672.08
    anisole 371.08
    cyclopentyl methyl ether 708.17
    gamma-butyrolactone 927.82
    1-methoxy-2-propanol 302.47
    pyridine 1102.98
    3-pentanone 548.76
    furfural 701.01
    n-dodecane 2.51
    diethylene glycol 119.48
    diisopropyl ether 82.45
    tert-amyl alcohol 198.84
    acetylacetone 543.21
    n-hexadecane 3.14
    acetophenone 333.85
    methyl propionate 647.97
    isopentyl acetate 223.37
    trichloroethylene 3368.78
    n-nonanol 42.15
    cyclohexanol 275.05
    benzyl alcohol 286.94
    2-ethylhexanol 82.36
    isooctanol 56.65
    dipropyl ether 120.6
    1,2-dichlorobenzene 524.05
    ethyl lactate 105.85
    propylene carbonate 403.77
    n-methylformamide 268.9
    2-pentanol 162.21
    n-pentane 14.23
    1-propoxy-2-propanol 184.48
    1-methoxy-2-propyl acetate 306.64
    2-(2-methoxypropoxy) propanol 139.08
    mesitylene 104.29
    ε-caprolactone 663.1
    p-cymene 55.73
    epichlorohydrin 2197.63
    1,1,1-trichloroethane 953.41
    2-aminoethanol 50.55
    morpholine-4-carbaldehyde 670.49
    sulfolane 878.44
    2,2,4-trimethylpentane 11.47
    2-methyltetrahydrofuran 987.43
    n-hexyl acetate 173.87
    isooctane 7.46
    2-(2-butoxyethoxy)ethanol 212.8
    sec-butyl acetate 197.9
    tert-butyl acetate 275.11
    decalin 19.04
    glycerin 50.78
    diglyme 485.48
    acrylic acid 131.84
    isopropyl myristate 52.74
    n-butyric acid 271.52
    acetyl acetate 248.51
    di(2-ethylhexyl) phthalate 66.82
    ethyl propionate 258.55
    nitromethane 449.02
    1,2-diethoxyethane 288.62
    benzonitrile 337.72
    trioctyl phosphate 38.59
    1-bromopropane 887.34
    gamma-valerolactone 1214.12
    n-decanol 30.36
    triethyl phosphate 74.96
    4-methyl-2-pentanol 80.43
    propionitrile 273.43
    vinylene carbonate 341.09
    1,1,2-trichlorotrifluoroethane 653.67
    DMS 196.27
    cumene 84.49
    2-octanol 38.02
    2-hexanone 306.58
    octyl acetate 74.69
    limonene 83.39
    1,2-dimethoxyethane 476.75
    ethyl orthosilicate 74.06
    tributyl phosphate 50.7
    diacetone alcohol 280.07
    N,N-dimethylaniline 182.39
    acrylonitrile 338.75
    aniline 618.31
    1,3-propanediol 103.25
    bromobenzene 902.26
    dibromomethane 1709.18
    1,1,2,2-tetrachloroethane 2381.16
    2-methyl-cyclohexyl acetate 136.68
    tetrabutyl urea 68.87
    diisobutyl methanol 44.25
    2-phenylethanol 221.65
    styrene 272.25
    dioctyl adipate 95.5
    dimethyl sulfate 306.19
    ethyl butyrate 175.96
    methyl lactate 154.05
    butyl lactate 108.44
    diethyl carbonate 104.94
    propanediol butyl ether 106.27
    triethyl orthoformate 110.27
    p-tert-butyltoluene 52.88
    methyl 4-tert-butylbenzoate 164.01
    morpholine 1039.71
    tert-butylamine 89.98
    n-dodecanol 21.81
    dimethoxymethane 717.28
    ethylene carbonate 285.3
    cyrene 183.79
    2-ethoxyethyl acetate 261.42
    2-ethylhexyl acetate 176.37
    1,2,4-trichlorobenzene 619.83
    4-methylpyridine 1177.16
    dibutyl ether 78.6
    2,6-dimethyl-4-heptanol 44.25
    DEF 700.3
    dimethyl isosorbide 307.07
    tetrachloroethylene 1066.91
    eugenol 160.41
    triacetin 169.42
    span 80 110.91
    1,4-butanediol 48.09
    1,1-dichloroethane 1510.3
    2-methyl-1-pentanol 188.09
    methyl formate 197.93
    2-methyl-1-butanol 237.19
    n-decane 4.56
    butyronitrile 291.85
    3,7-dimethyl-1-octanol 55.33
    1-chlorooctane 44.32
    1-chlorotetradecane 13.81
    n-nonane 4.03
    undecane 3.26
    tert-butylcyclohexane 16.11
    cyclooctane 9.07
    cyclopentanol 236.54
    tetrahydropyran 1015.8
    tert-amyl methyl ether 250.69
    2,5,8-trioxanonane 255.88
    1-hexene 122.6
    2-isopropoxyethanol 196.32
    2,2,2-trifluoroethanol 46.76
    methyl butyrate 336.36

    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