Benzeneethanamine, N-(3-methylbutylidene)-

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  • Identifiers

    CAS number
    92195-46-5

    Molecular formula
    C13H19N

    SMILES
    CC(C)CC=NCCC1=CC=CC=C1

  • Odor profile

    Fragrance
    Fishy 38.55%
    Green 38.11%
    Sweet 37.48%
    Floral 32.55%
    Citrus 30.87%
    Fresh 30.64%
    Metallic 29.6%
    Herbal 28.51%
    Oily 28.43%
    Aldehydic 27.27%

     

    Flavor
    Green 58.77%
    Fresh 34.88%
    Herbal 31.23%
    Floral 29.98%
    Bitter 23.88%
    Oily 22.54%
    Waxy 22.24%
    Spicy 22.19%
    Leaf 21.38%
    Cyclamen 21.17%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    6.73 (neutral)

    Molecular weight
    189.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    280°C

    Flash point

    • 123.18 ˚C est.

  • Synonyms

    • Benzeneethanamine, N-(3-methylbutylidene)-
    • 92195-46-5
    • 3-methyl-N-(2-phenylethyl)butan-1-imine
    • N-(3-methylbutylidene)-2-phenylethylamine
    • (3-METHYLBUTYLIDENE)(2-PHENYLETHYL)AMINE
    • DTXSID30336703
    • CHEBI:215837
    • SHVSKYACDKKPBR-GXDHUFHOSA-N
    • N-[(E)-3-Methylbutylidene]-2-phenylethanamine
    • N-[(E)-3-Methylbutylidene]-2-phenylethanamine #

  • Applications

    Benzeneethanamine, N-(3-methylbutylidene)- (CAS 92195-46-5) is commonly used as an intermediate in organic synthesis to assemble more complex molecules; it serves as a precursor for dyes and pigments through subsequent functionalization; it can act as a ligand in metal complexes for catalysis in both research and industrial settings; it is used as a reactive building block in polymer and coating formulations to introduce aryl-imine functionality; and it is employed as a scaffolding building block in pharmaceutical and agrochemical research and development, with use generally subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 541.31
    methanol 220.34
    isopropanol 466.93
    water 0.03
    ethyl acetate 1235.03
    n-propanol 472.47
    acetone 1221.93
    n-butanol 558.65
    acetonitrile 586.72
    DMF 480.05
    toluene 926.84
    isobutanol 384.15
    1,4-dioxane 2006.87
    methyl acetate 831.04
    THF 2430.47
    2-butanone 1015.29
    n-pentanol 402.94
    sec-butanol 459.7
    n-hexane 569.57
    ethylene glycol 52.02
    NMP 439.71
    cyclohexane 925.1
    DMSO 1112.15
    n-butyl acetate 1337.8
    n-octanol 268.05
    chloroform 3114.48
    n-propyl acetate 657.02
    acetic acid 381.14
    dichloromethane 2829.93
    cyclohexanone 1374.52
    propylene glycol 152.14
    isopropyl acetate 616.43
    DMAc 483.02
    2-ethoxyethanol 438.6
    isopentanol 508.12
    n-heptane 505.86
    ethyl formate 431.97
    1,2-dichloroethane 2080.05
    n-hexanol 875.44
    2-methoxyethanol 561.54
    isobutyl acetate 461.24
    tetrachloromethane 444.89
    n-pentyl acetate 400.97
    transcutol 2578.71
    n-heptanol 253.61
    ethylbenzene 398.45
    MIBK 542.56
    2-propoxyethanol 915.61
    tert-butanol 612.78
    MTBE 1058.13
    2-butoxyethanol 372.13
    propionic acid 314.85
    o-xylene 431.66
    formic acid 39.0
    diethyl ether 1582.95
    m-xylene 487.32
    p-xylene 445.73
    chlorobenzene 904.05
    dimethyl carbonate 237.58
    n-octane 124.1
    formamide 66.29
    cyclopentanone 1186.92
    2-pentanone 973.77
    anisole 595.07
    cyclopentyl methyl ether 1237.75
    gamma-butyrolactone 998.91
    1-methoxy-2-propanol 559.39
    pyridine 1298.61
    3-pentanone 799.28
    furfural 787.73
    n-dodecane 76.45
    diethylene glycol 397.87
    diisopropyl ether 483.64
    tert-amyl alcohol 481.16
    acetylacetone 863.8
    n-hexadecane 89.75
    acetophenone 432.86
    methyl propionate 707.3
    isopentyl acetate 986.06
    trichloroethylene 2710.81
    n-nonanol 248.32
    cyclohexanol 645.55
    benzyl alcohol 338.99
    2-ethylhexanol 630.94
    isooctanol 220.06
    dipropyl ether 1419.35
    1,2-dichlorobenzene 716.09
    ethyl lactate 220.49
    propylene carbonate 699.36
    n-methylformamide 175.33
    2-pentanol 448.53
    n-pentane 386.21
    1-propoxy-2-propanol 881.95
    1-methoxy-2-propyl acetate 890.13
    2-(2-methoxypropoxy) propanol 447.85
    mesitylene 313.99
    ε-caprolactone 949.88
    p-cymene 291.07
    epichlorohydrin 1685.36
    1,1,1-trichloroethane 1695.72
    2-aminoethanol 130.85
    morpholine-4-carbaldehyde 724.51
    sulfolane 1131.86
    2,2,4-trimethylpentane 130.76
    2-methyltetrahydrofuran 1695.98
    n-hexyl acetate 565.63
    isooctane 117.97
    2-(2-butoxyethoxy)ethanol 680.93
    sec-butyl acetate 443.13
    tert-butyl acetate 666.74
    decalin 264.3
    glycerin 144.35
    diglyme 1307.43
    acrylic acid 208.99
    isopropyl myristate 284.2
    n-butyric acid 676.52
    acetyl acetate 620.13
    di(2-ethylhexyl) phthalate 199.61
    ethyl propionate 547.7
    nitromethane 625.41
    1,2-diethoxyethane 1464.96
    benzonitrile 506.32
    trioctyl phosphate 154.24
    1-bromopropane 1549.57
    gamma-valerolactone 1176.28
    n-decanol 203.39
    triethyl phosphate 274.71
    4-methyl-2-pentanol 273.38
    propionitrile 502.58
    vinylene carbonate 514.78
    1,1,2-trichlorotrifluoroethane 746.56
    DMS 442.68
    cumene 247.62
    2-octanol 169.41
    2-hexanone 703.11
    octyl acetate 326.75
    limonene 531.19
    1,2-dimethoxyethane 1049.32
    ethyl orthosilicate 290.91
    tributyl phosphate 215.73
    diacetone alcohol 505.65
    N,N-dimethylaniline 335.61
    acrylonitrile 432.3
    aniline 585.46
    1,3-propanediol 236.45
    bromobenzene 1155.61
    dibromomethane 2204.17
    1,1,2,2-tetrachloroethane 2509.53
    2-methyl-cyclohexyl acetate 515.97
    tetrabutyl urea 267.56
    diisobutyl methanol 350.81
    2-phenylethanol 446.44
    styrene 521.65
    dioctyl adipate 357.28
    dimethyl sulfate 308.71
    ethyl butyrate 839.68
    methyl lactate 218.51
    butyl lactate 272.81
    diethyl carbonate 484.21
    propanediol butyl ether 322.49
    triethyl orthoformate 539.98
    p-tert-butyltoluene 282.78
    methyl 4-tert-butylbenzoate 338.22
    morpholine 1841.55
    tert-butylamine 513.83
    n-dodecanol 177.07
    dimethoxymethane 724.15
    ethylene carbonate 520.07
    cyrene 285.52
    2-ethoxyethyl acetate 555.16
    2-ethylhexyl acetate 802.24
    1,2,4-trichlorobenzene 757.56
    4-methylpyridine 1078.24
    dibutyl ether 816.14
    2,6-dimethyl-4-heptanol 350.81
    DEF 691.42
    dimethyl isosorbide 745.02
    tetrachloroethylene 1335.54
    eugenol 307.0
    triacetin 476.22
    span 80 411.3
    1,4-butanediol 108.47
    1,1-dichloroethane 1869.72
    2-methyl-1-pentanol 389.59
    methyl formate 190.02
    2-methyl-1-butanol 445.19
    n-decane 135.36
    butyronitrile 674.38
    3,7-dimethyl-1-octanol 339.69
    1-chlorooctane 387.58
    1-chlorotetradecane 165.78
    n-nonane 156.67
    undecane 97.65
    tert-butylcyclohexane 205.14
    cyclooctane 318.17
    cyclopentanol 466.88
    tetrahydropyran 2475.63
    tert-amyl methyl ether 655.29
    2,5,8-trioxanonane 830.11
    1-hexene 1051.7
    2-isopropoxyethanol 387.81
    2,2,2-trifluoroethanol 86.59
    methyl butyrate 689.51

    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