Propanamide, N-ethyl-N-(3-methylphenyl)-

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  • Identifiers

    CAS number
    179911-08-1

    Molecular formula
    C12H17NO

    SMILES
    CCC(=O)N(CC)C1=CC=CC(=C1)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Grapefruit 41.21%
    Grape 40.59%
    Floral 40.25%
    Citrus 38.27%
    Fruity 34.71%
    Fresh 31.82%
    Woody 30.78%
    Animal 29.91%
    Dry 24.47%
    Sweet 23.81%

     

    Flavor
    Fruity 46.85%
    Mild 24.52%
    Odorless 22.32%
    Bitter 21.41%
    Orange flower 20.14%
    Herbal 19.47%
    Petitgrain 19.36%
    Heather 19.16%
    Orange blossom 19.14%
    Broom 19.12%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    6.98 (neutral)

    Molecular weight
    191.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    281°C

    Flash point

    • 125.62 ˚C est.

  • Synonyms

    • Propanamide, N-ethyl-N-(3-methylphenyl)-
    • N-Ethyl-N-(3-methylphenyl)propionamide
    • DTXSID80870147
    • RefChem:868787
    • DTXCID20817955
    • 423-640-6
    • 179911-08-1
    • n-ethyl-n-(3-methylphenyl)propanamide
    • PROPANAMIDE,N-ETHYL-N-(3-METHYLPHENYL)-
    • SCHEMBL3871929
    • SCHEMBL30074142
    • AKOS006228894
    • NS00010094
    • 179911-08-1

  • Applications

    Propanamide, N-ethyl-N-(3-methylphenyl)- (CAS 179911-08-1) is commonly used as an organic synthesis intermediate, particularly in pharmaceutical research and fine chemicals; it serves as a scaffold for N-aryl propanamide derivatives to support SAR studies and the development of potential drug candidates; in agricultural R&D it is evaluated as a precursor for agrochemical compounds such as pesticides or related chemistries; in industrial synthesis it can function as a building block for arylamide-containing compounds and specialty materials including coatings and additives; given its arylamide character, it is also explored as a platform for advanced polymer or material applications, subject to formulation constraints and local regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1392.19
    methanol 2013.34
    isopropanol 950.19
    water 6.59
    ethyl acetate 735.5
    n-propanol 1063.47
    acetone 1179.01
    n-butanol 981.62
    acetonitrile 1389.21
    DMF 1750.5
    toluene 550.88
    isobutanol 846.13
    1,4-dioxane 1328.18
    methyl acetate 764.29
    THF 1342.11
    2-butanone 866.54
    n-pentanol 650.74
    sec-butanol 816.81
    n-hexane 99.69
    ethylene glycol 248.78
    NMP 1512.43
    cyclohexane 190.14
    DMSO 1180.17
    n-butyl acetate 628.22
    n-octanol 305.58
    chloroform 4961.69
    n-propyl acetate 439.88
    acetic acid 1184.8
    dichloromethane 4553.06
    cyclohexanone 1600.19
    propylene glycol 303.32
    isopropyl acetate 397.45
    DMAc 1202.5
    2-ethoxyethanol 596.25
    isopentanol 684.9
    n-heptane 46.81
    ethyl formate 838.0
    1,2-dichloroethane 1986.43
    n-hexanol 561.03
    2-methoxyethanol 1049.49
    isobutyl acetate 295.15
    tetrachloromethane 524.72
    n-pentyl acetate 377.39
    transcutol 968.43
    n-heptanol 259.23
    ethylbenzene 288.2
    MIBK 368.89
    2-propoxyethanol 662.91
    tert-butanol 795.34
    MTBE 612.65
    2-butoxyethanol 365.96
    propionic acid 804.63
    o-xylene 306.8
    formic acid 456.1
    diethyl ether 725.07
    m-xylene 305.13
    p-xylene 381.93
    chlorobenzene 981.29
    dimethyl carbonate 319.01
    n-octane 31.58
    formamide 611.35
    cyclopentanone 1445.43
    2-pentanone 674.95
    anisole 506.01
    cyclopentyl methyl ether 638.77
    gamma-butyrolactone 1617.83
    1-methoxy-2-propanol 629.02
    pyridine 1532.39
    3-pentanone 549.29
    furfural 1384.61
    n-dodecane 31.63
    diethylene glycol 461.17
    diisopropyl ether 162.82
    tert-amyl alcohol 666.09
    acetylacetone 631.01
    n-hexadecane 36.7
    acetophenone 478.56
    methyl propionate 567.93
    isopentyl acetate 488.55
    trichloroethylene 3700.32
    n-nonanol 246.48
    cyclohexanol 825.52
    benzyl alcohol 500.22
    2-ethylhexanol 296.76
    isooctanol 207.42
    dipropyl ether 276.91
    1,2-dichlorobenzene 795.71
    ethyl lactate 235.6
    propylene carbonate 968.2
    n-methylformamide 997.39
    2-pentanol 494.7
    n-pentane 90.38
    1-propoxy-2-propanol 407.57
    1-methoxy-2-propyl acetate 415.79
    2-(2-methoxypropoxy) propanol 297.82
    mesitylene 181.15
    ε-caprolactone 1092.63
    p-cymene 157.09
    epichlorohydrin 1675.11
    1,1,1-trichloroethane 1522.42
    2-aminoethanol 514.35
    morpholine-4-carbaldehyde 1120.95
    sulfolane 1509.08
    2,2,4-trimethylpentane 52.38
    2-methyltetrahydrofuran 1079.96
    n-hexyl acetate 525.93
    isooctane 33.14
    2-(2-butoxyethoxy)ethanol 409.97
    sec-butyl acetate 283.82
    tert-butyl acetate 371.8
    decalin 79.06
    glycerin 337.11
    diglyme 692.16
    acrylic acid 723.4
    isopropyl myristate 182.02
    n-butyric acid 1086.13
    acetyl acetate 516.81
    di(2-ethylhexyl) phthalate 201.59
    ethyl propionate 378.2
    nitromethane 1497.98
    1,2-diethoxyethane 449.32
    benzonitrile 854.07
    trioctyl phosphate 151.23
    1-bromopropane 1145.0
    gamma-valerolactone 1546.05
    n-decanol 174.56
    triethyl phosphate 192.54
    4-methyl-2-pentanol 236.53
    propionitrile 1026.54
    vinylene carbonate 1033.66
    1,1,2-trichlorotrifluoroethane 992.74
    DMS 392.89
    cumene 189.5
    2-octanol 205.21
    2-hexanone 476.23
    octyl acetate 264.01
    limonene 231.49
    1,2-dimethoxyethane 925.98
    ethyl orthosilicate 178.61
    tributyl phosphate 184.35
    diacetone alcohol 383.27
    N,N-dimethylaniline 324.89
    acrylonitrile 1206.9
    aniline 632.9
    1,3-propanediol 663.4
    bromobenzene 1093.81
    dibromomethane 2723.23
    1,1,2,2-tetrachloroethane 2592.63
    2-methyl-cyclohexyl acetate 310.86
    tetrabutyl urea 239.38
    diisobutyl methanol 145.29
    2-phenylethanol 421.75
    styrene 410.25
    dioctyl adipate 263.43
    dimethyl sulfate 466.95
    ethyl butyrate 392.24
    methyl lactate 271.14
    butyl lactate 285.51
    diethyl carbonate 305.67
    propanediol butyl ether 357.94
    triethyl orthoformate 246.08
    p-tert-butyltoluene 142.6
    methyl 4-tert-butylbenzoate 330.53
    morpholine 1404.16
    tert-butylamine 527.79
    n-dodecanol 129.15
    dimethoxymethane 802.46
    ethylene carbonate 851.97
    cyrene 342.56
    2-ethoxyethyl acetate 423.66
    2-ethylhexyl acetate 374.44
    1,2,4-trichlorobenzene 846.59
    4-methylpyridine 1404.19
    dibutyl ether 317.49
    2,6-dimethyl-4-heptanol 145.29
    DEF 848.18
    dimethyl isosorbide 493.18
    tetrachloroethylene 1691.05
    eugenol 349.43
    triacetin 377.5
    span 80 292.16
    1,4-butanediol 330.78
    1,1-dichloroethane 1949.3
    2-methyl-1-pentanol 537.65
    methyl formate 829.33
    2-methyl-1-butanol 755.76
    n-decane 51.17
    butyronitrile 1164.05
    3,7-dimethyl-1-octanol 231.2
    1-chlorooctane 233.27
    1-chlorotetradecane 88.26
    n-nonane 50.42
    undecane 39.5
    tert-butylcyclohexane 66.16
    cyclooctane 44.47
    cyclopentanol 845.79
    tetrahydropyran 1289.93
    tert-amyl methyl ether 423.6
    2,5,8-trioxanonane 464.56
    1-hexene 382.8
    2-isopropoxyethanol 378.53
    2,2,2-trifluoroethanol 404.44
    methyl butyrate 576.98

    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