2-Phenylethyl 2-(methylamino)benzoate

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  • Identifiers

    CAS number
    1308361-72-9

    Molecular formula
    C16H17NO2

    SMILES
    CNC1=CC=CC=C1C(=O)OCCC2=CC=CC=C2

  • Odor profile

    Fragrance
    Floral 68.19%
    Grape 66.14%
    Sweet 55.38%
    Citrus 54.61%
    Orange 48.91%
    Honey 43.9%
    Fruity 43.6%
    Neroli 42.71%
    Rose 40.46%
    Grapefruit 35.68%

     

    Flavor
    Sweet 73.65%
    Floral 72.83%
    Fruity 62.45%
    Balsam 54.09%
    Rose 51.21%
    Honey 50.16%
    Grape 36.35%
    Powdery 35.42%
    Chocolate 33.52%
    Strawberry 32.83%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    6.08 (neutral)

    Molecular weight
    255.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    319°C

    Flash point

    • 176.72 ˚C est.

  • Synonyms

    • 2-phenylethyl 2-(methylamino)benzoate
    • 1308361-72-9
    • ICC36172
    • 2-phenylethyl2-(methylamino)benzoate
    • CS-0261647
    • EN300-79408

  • Applications

    2-Phenylethyl 2-(methylamino)benzoate (CAS 1308361-72-9) is primarily encountered as a fragrance-related compound; in perfumery it can function as an odorant and may serve as a mild fixative to help balance the volatility of floral notes. In cosmetics and personal care, it is commonly evaluated for use as a fragrance ingredient in products such as perfumes, lotions, and shower gels. In household products, it may be employed as a fragrance additive in air fresheners, cleaners, and laundry formulations. In coatings and inks, it can be used as a fragrance component or processing aid to impart aroma to colored or finished products. In industrial manufacturing, it can act as an intermediate for the synthesis of more complex aromatic esters and specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 102.7
    methanol 158.15
    isopropanol 45.87
    water 0.18
    ethyl acetate 127.76
    n-propanol 77.67
    acetone 273.38
    n-butanol 67.01
    acetonitrile 120.65
    DMF 697.78
    toluene 65.25
    isobutanol 48.34
    1,4-dioxane 273.42
    methyl acetate 132.9
    THF 373.62
    2-butanone 168.31
    n-pentanol 53.51
    sec-butanol 41.32
    n-hexane 2.04
    ethylene glycol 31.08
    NMP 306.65
    cyclohexane 6.57
    DMSO 720.51
    n-butyl acetate 69.9
    n-octanol 19.43
    chloroform 675.67
    n-propyl acetate 73.92
    acetic acid 152.95
    dichloromethane 771.86
    cyclohexanone 278.22
    propylene glycol 39.73
    isopropyl acetate 62.2
    DMAc 469.29
    2-ethoxyethanol 98.03
    isopentanol 53.31
    n-heptane 2.52
    ethyl formate 95.54
    1,2-dichloroethane 623.28
    n-hexanol 49.0
    2-methoxyethanol 202.46
    isobutyl acetate 47.52
    tetrachloromethane 27.8
    n-pentyl acetate 37.55
    transcutol 274.28
    n-heptanol 27.61
    ethylbenzene 29.38
    MIBK 75.79
    2-propoxyethanol 103.14
    tert-butanol 58.0
    MTBE 44.77
    2-butoxyethanol 65.15
    propionic acid 89.79
    o-xylene 34.68
    formic acid 68.42
    diethyl ether 76.33
    m-xylene 35.49
    p-xylene 36.62
    chlorobenzene 154.95
    dimethyl carbonate 97.53
    n-octane 1.64
    formamide 157.97
    cyclopentanone 390.73
    2-pentanone 136.89
    anisole 73.77
    cyclopentyl methyl ether 96.99
    gamma-butyrolactone 384.99
    1-methoxy-2-propanol 119.56
    pyridine 265.2
    3-pentanone 116.02
    furfural 290.32
    n-dodecane 2.07
    diethylene glycol 95.71
    diisopropyl ether 15.07
    tert-amyl alcohol 43.36
    acetylacetone 179.76
    n-hexadecane 2.38
    acetophenone 85.3
    methyl propionate 130.46
    isopentyl acetate 60.6
    trichloroethylene 853.85
    n-nonanol 20.66
    cyclohexanol 66.14
    benzyl alcohol 70.07
    2-ethylhexanol 28.86
    isooctanol 23.91
    dipropyl ether 34.66
    1,2-dichlorobenzene 127.14
    ethyl lactate 45.63
    propylene carbonate 172.27
    n-methylformamide 222.5
    2-pentanol 30.12
    n-pentane 1.68
    1-propoxy-2-propanol 63.47
    1-methoxy-2-propyl acetate 81.48
    2-(2-methoxypropoxy) propanol 61.21
    mesitylene 20.51
    ε-caprolactone 167.23
    p-cymene 19.64
    epichlorohydrin 519.55
    1,1,1-trichloroethane 221.04
    2-aminoethanol 65.74
    morpholine-4-carbaldehyde 232.62
    sulfolane 467.55
    2,2,4-trimethylpentane 2.57
    2-methyltetrahydrofuran 151.42
    n-hexyl acetate 48.94
    isooctane 1.93
    2-(2-butoxyethoxy)ethanol 83.71
    sec-butyl acetate 44.34
    tert-butyl acetate 63.8
    decalin 5.07
    glycerin 69.42
    diglyme 191.27
    acrylic acid 99.94
    isopropyl myristate 22.89
    n-butyric acid 124.97
    acetyl acetate 89.63
    di(2-ethylhexyl) phthalate 29.93
    ethyl propionate 65.68
    nitromethane 350.99
    1,2-diethoxyethane 73.92
    benzonitrile 92.77
    trioctyl phosphate 20.61
    1-bromopropane 150.62
    gamma-valerolactone 355.88
    n-decanol 16.93
    triethyl phosphate 36.95
    4-methyl-2-pentanol 21.72
    propionitrile 100.95
    vinylene carbonate 168.48
    1,1,2-trichlorotrifluoroethane 266.05
    DMS 69.65
    cumene 20.21
    2-octanol 15.32
    2-hexanone 80.61
    octyl acetate 30.11
    limonene 26.09
    1,2-dimethoxyethane 187.5
    ethyl orthosilicate 33.21
    tributyl phosphate 25.2
    diacetone alcohol 85.94
    N,N-dimethylaniline 48.47
    acrylonitrile 164.25
    aniline 96.21
    1,3-propanediol 90.34
    bromobenzene 157.48
    dibromomethane 422.36
    1,1,2,2-tetrachloroethane 608.07
    2-methyl-cyclohexyl acetate 48.14
    tetrabutyl urea 38.33
    diisobutyl methanol 19.09
    2-phenylethanol 62.26
    styrene 43.91
    dioctyl adipate 40.47
    dimethyl sulfate 169.13
    ethyl butyrate 57.27
    methyl lactate 75.71
    butyl lactate 40.24
    diethyl carbonate 45.69
    propanediol butyl ether 46.16
    triethyl orthoformate 42.55
    p-tert-butyltoluene 18.03
    methyl 4-tert-butylbenzoate 65.03
    morpholine 276.03
    tert-butylamine 28.36
    n-dodecanol 13.7
    dimethoxymethane 267.45
    ethylene carbonate 134.51
    cyrene 81.82
    2-ethoxyethyl acetate 63.77
    2-ethylhexyl acetate 47.33
    1,2,4-trichlorobenzene 142.32
    4-methylpyridine 172.6
    dibutyl ether 26.98
    2,6-dimethyl-4-heptanol 19.09
    DEF 165.23
    dimethyl isosorbide 109.71
    tetrachloroethylene 320.68
    eugenol 70.14
    triacetin 61.01
    span 80 48.82
    1,4-butanediol 34.22
    1,1-dichloroethane 332.15
    2-methyl-1-pentanol 45.2
    methyl formate 172.18
    2-methyl-1-butanol 47.7
    n-decane 2.88
    butyronitrile 93.29
    3,7-dimethyl-1-octanol 22.12
    1-chlorooctane 16.69
    1-chlorotetradecane 8.04
    n-nonane 2.38
    undecane 2.39
    tert-butylcyclohexane 4.16
    cyclooctane 1.88
    cyclopentanol 76.62
    tetrahydropyran 210.01
    tert-amyl methyl ether 35.41
    2,5,8-trioxanonane 124.44
    1-hexene 17.07
    2-isopropoxyethanol 62.95
    2,2,2-trifluoroethanol 62.11
    methyl butyrate 96.5

    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