Isopentylidene isopentylamine

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  • Identifiers

    CAS number
    35448-31-8

    Molecular formula
    C10H21N

    SMILES
    CC(C)CCN=CCC(C)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Sweet 61.07%
    Fishy 42.39%
    Green 42.39%
    Oily 36.97%
    Fresh 33.79%
    Herbal 33.05%
    Citrus 29.67%
    Cocoa 28.98%
    Metallic 27.55%
    Pungent 26.65%

     

    Flavor
    Green 29.62%
    Fresh 24.95%
    Citrus 24.32%
    Yeasty 21.87%
    Glue 21.47%
    Leathery 21.33%
    Herbal 21.3%
    Bloody 20.91%
    Delicate 20.87%
    Skunky 20.54%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.01 (weak base)

    Molecular weight
    155.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    198°C

    Flash point

    • 67.48 ˚C est.

    Solubility expt.

    • Insoluble in water; Soluble in heptane, triacetin
    • Soluble (in ethanol)

  • Synonyms

    • 1-Butanamine, 3-methyl-N-(3-methylbutylidene)-
    • 35448-31-8
    • 3-methyl-N-(3-methylbutyl)butan-1-imine
    • isopentylideneisopentylamine
    • ISOPENTYLIDENE ISOPENTYLAMINE
    • QID90Z5HCR
    • N-isoamylidene-isoamylamine
    • N-Isopentylideneisopentylamine
    • N-(3-Methylbutylidene)-3-methyl-1-butylamine
    • 3-methyl-n-(3-methylbutylidene)-1-butanamine
    • DTXSID5067922
    • FEMA NO. 3990
    • ISOPENTYLIDENE ISOPENTYLAMINE [FHFI]
    • 3-Methyl-N-(3'-methylbutylidene)butanamine
    • 3-Methyl-N-(3-methylbutylidene)-butanamine
    • Butanamine, 3-methyl-N-(3-methylbutylidene)
    • 3-Methyl-N-[(E)-3-methylbutylidene]-1-butanamine
    • UNII-QID90Z5HCR
    • isopentylidene isopentyl amine
    • SCHEMBL891625
    • DTXCID9039026
    • WYNULUURQZBBSK-YRNVUSSQSA-N
    • 3-methylbutylidene-3-methylbutylamine
    • AKOS006274245
    • NS00126518
    • (3-METHYLBUTYL)(3-METHYLBUTYLIDENE)AMINE
    • Q27287279
    • 609-128-7

  • Applications

    Isopentylidene isopentylamine (CAS 35448-31-8) is primarily used as a synthetic intermediate in organic chemistry, where it is prepared and employed as a Schiff base for further transformations; it is commonly used as a ligand/chelating agent in coordination chemistry and metal-catalyzed processes; it can serve as a building block for the synthesis of heterocyclic compounds and related dyes or pigments; it may act as a precursor for agrochemical or pharmaceutical intermediates; and it may function as a reagent or research tool in industrial or academic settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 383.02
    methanol 171.83
    isopropanol 544.06
    water 0.11
    ethyl acetate 596.08
    n-propanol 446.25
    acetone 684.73
    n-butanol 634.55
    acetonitrile 338.42
    DMF 392.58
    toluene 577.97
    isobutanol 492.0
    1,4-dioxane 1193.24
    methyl acetate 471.71
    THF 2140.42
    2-butanone 656.23
    n-pentanol 446.34
    sec-butanol 654.36
    n-hexane 1155.35
    ethylene glycol 54.67
    NMP 638.23
    cyclohexane 1611.63
    DMSO 564.97
    n-butyl acetate 1342.14
    n-octanol 657.99
    chloroform 2182.15
    n-propyl acetate 461.73
    acetic acid 425.0
    dichloromethane 1270.56
    cyclohexanone 1385.06
    propylene glycol 181.27
    isopropyl acetate 496.29
    DMAc 406.39
    2-ethoxyethanol 333.36
    isopentanol 690.03
    n-heptane 1593.91
    ethyl formate 295.38
    1,2-dichloroethane 868.66
    n-hexanol 1400.61
    2-methoxyethanol 459.24
    isobutyl acetate 407.43
    tetrachloromethane 573.95
    n-pentyl acetate 579.69
    transcutol 1768.31
    n-heptanol 593.0
    ethylbenzene 388.74
    MIBK 488.27
    2-propoxyethanol 955.42
    tert-butanol 1059.66
    MTBE 1096.28
    2-butoxyethanol 580.44
    propionic acid 401.55
    o-xylene 439.78
    formic acid 48.03
    diethyl ether 764.47
    m-xylene 462.2
    p-xylene 543.48
    chlorobenzene 689.28
    dimethyl carbonate 140.63
    n-octane 422.69
    formamide 52.36
    cyclopentanone 1222.12
    2-pentanone 627.57
    anisole 473.86
    cyclopentyl methyl ether 1251.83
    gamma-butyrolactone 997.09
    1-methoxy-2-propanol 547.67
    pyridine 847.57
    3-pentanone 518.67
    furfural 778.66
    n-dodecane 242.93
    diethylene glycol 375.39
    diisopropyl ether 477.83
    tert-amyl alcohol 956.11
    acetylacetone 578.65
    n-hexadecane 275.38
    acetophenone 402.59
    methyl propionate 387.09
    isopentyl acetate 1237.57
    trichloroethylene 1552.0
    n-nonanol 584.74
    cyclohexanol 1094.73
    benzyl alcohol 327.18
    2-ethylhexanol 1251.63
    isooctanol 506.15
    dipropyl ether 1504.87
    1,2-dichlorobenzene 660.5
    ethyl lactate 247.39
    propylene carbonate 750.83
    n-methylformamide 143.89
    2-pentanol 652.47
    n-pentane 675.17
    1-propoxy-2-propanol 1158.03
    1-methoxy-2-propyl acetate 824.99
    2-(2-methoxypropoxy) propanol 629.0
    mesitylene 380.78
    ε-caprolactone 1068.62
    p-cymene 546.37
    epichlorohydrin 1115.45
    1,1,1-trichloroethane 1435.76
    2-aminoethanol 141.07
    morpholine-4-carbaldehyde 650.96
    sulfolane 1211.31
    2,2,4-trimethylpentane 369.95
    2-methyltetrahydrofuran 1762.96
    n-hexyl acetate 943.28
    isooctane 323.52
    2-(2-butoxyethoxy)ethanol 793.15
    sec-butyl acetate 407.19
    tert-butyl acetate 692.0
    decalin 568.29
    glycerin 178.82
    diglyme 1231.3
    acrylic acid 274.11
    isopropyl myristate 507.95
    n-butyric acid 815.07
    acetyl acetate 408.66
    di(2-ethylhexyl) phthalate 350.2
    ethyl propionate 407.56
    nitromethane 404.72
    1,2-diethoxyethane 907.77
    benzonitrile 530.24
    trioctyl phosphate 320.42
    1-bromopropane 945.15
    gamma-valerolactone 1124.89
    n-decanol 467.9
    triethyl phosphate 388.42
    4-methyl-2-pentanol 460.16
    propionitrile 413.09
    vinylene carbonate 514.2
    1,1,2-trichlorotrifluoroethane 755.52
    DMS 424.29
    cumene 327.4
    2-octanol 454.85
    2-hexanone 586.4
    octyl acetate 576.63
    limonene 1081.19
    1,2-dimethoxyethane 775.49
    ethyl orthosilicate 423.77
    tributyl phosphate 398.13
    diacetone alcohol 643.23
    N,N-dimethylaniline 369.49
    acrylonitrile 333.56
    aniline 507.07
    1,3-propanediol 275.81
    bromobenzene 843.55
    dibromomethane 1245.57
    1,1,2,2-tetrachloroethane 1692.95
    2-methyl-cyclohexyl acetate 778.47
    tetrabutyl urea 468.96
    diisobutyl methanol 776.8
    2-phenylethanol 561.64
    styrene 416.29
    dioctyl adipate 596.51
    dimethyl sulfate 207.25
    ethyl butyrate 820.09
    methyl lactate 232.35
    butyl lactate 490.28
    diethyl carbonate 491.06
    propanediol butyl ether 561.41
    triethyl orthoformate 718.84
    p-tert-butyltoluene 586.14
    methyl 4-tert-butylbenzoate 551.88
    morpholine 1259.87
    tert-butylamine 970.54
    n-dodecanol 401.36
    dimethoxymethane 349.41
    ethylene carbonate 498.1
    cyrene 417.71
    2-ethoxyethyl acetate 533.7
    2-ethylhexyl acetate 1112.05
    1,2,4-trichlorobenzene 749.25
    4-methylpyridine 830.33
    dibutyl ether 1231.38
    2,6-dimethyl-4-heptanol 776.8
    DEF 514.23
    dimethyl isosorbide 1007.79
    tetrachloroethylene 1018.94
    eugenol 438.22
    triacetin 671.59
    span 80 796.25
    1,4-butanediol 119.62
    1,1-dichloroethane 1100.44
    2-methyl-1-pentanol 489.94
    methyl formate 136.27
    2-methyl-1-butanol 604.36
    n-decane 430.73
    butyronitrile 633.67
    3,7-dimethyl-1-octanol 780.78
    1-chlorooctane 753.42
    1-chlorotetradecane 355.87
    n-nonane 498.57
    undecane 310.26
    tert-butylcyclohexane 528.77
    cyclooctane 663.09
    cyclopentanol 879.27
    tetrahydropyran 1981.91
    tert-amyl methyl ether 825.03
    2,5,8-trioxanonane 869.01
    1-hexene 1227.53
    2-isopropoxyethanol 348.34
    2,2,2-trifluoroethanol 116.64
    methyl butyrate 535.95

    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