Isoamylamine

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  • Identifiers

    CAS number
    107-85-7

    Molecular formula
    C5H13N

    SMILES
    CC(C)CCN

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Cheesy 83.26%
    Fishy 76.94%
    Ripe 54.56%
    Pungent 27.79%
    Fermented 27.13%
    Sweaty 26.29%
    Oily 24.32%
    Animal 23.44%
    Musty 22.73%
    Mint 20.95%

     

    Flavor
    Fishy 48.64%
    Ammoniacal 39.69%
    Ammonia 32.83%
    Glue 23.36%
    Meaty 22.58%
    Bloody 22.17%
    Skunky 21.21%
    Yeasty 20.96%
    Leathery 20.38%
    Sulfurous 19.88%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    7.92 (neutral)

    Molecular weight
    87.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -60.00 °C. @ 760.00 mm Hg

    Boiling point

    • 95.00 to 97.00 °C. @ 760.00 mm Hg

    Flash point

    • 10.66 ˚C est.

    Solubility expt.

    • Soluble in water, propylene glycol, glycerin, oils
    • Soluble (in ethanol)

  • Synonyms

    • ISOAMYLAMINE
    • Isopentylamine
    • 107-85-7
    • 3-METHYLBUTAN-1-AMINE
    • 3-Methylbutylamine
    • 1-Amino-3-methylbutane
    • Monoisoamylamine
    • Leucamine
    • Isovalerylamine
    • 3-Methylbutanamine
    • 1-Butanamine, 3-methyl-
    • Monoisopentylamine
    • 3-Methyl-1-butanamine
    • gamma-Isoamylamine
    • Isobutylcarbylamine
    • 3-Methyl-1-butylamine
    • 3-Methyl-Butylamine
    • 1-Aminoisopentane
    • Butylamine, 3-methyl-
    • 3,3-Dimethylpropylamine
    • .gamma.-Isoamylamine
    • 2-(2-isopropyl)ethylamine
    • Propylamine, 3,3-dimethyl-
    • 3-methyl-n-butylamine
    • FEMA No. 3219
    • LPO0L33SHY
    • NSC 7907
    • CHEBI:43689
    • NSC-7907
    • 3,3-dimethyl-propylamine
    • EINECS 203-526-0
    • ISOAMYLAMINE [MI]
    • ISOPENTYLAMINE [FHFI]
    • CHEMBL42003
    • AI3-24040
    • DTXSID7059355
    • NSC7907
    • EC 203-526-0
    • LEN
    • isoamyl amine
    • ISOAMYLAMINE, REAG
    • UNII-LPO0L33SHY
    • isoamylamin
    • Issoamylamine
    • iso-pentylamine
    • isopentyl amine
    • iso-amyl amine
    • l-Isoaminopentane
    • 3-methyl butylamine
    • 3-methylbutyl amine
    • amino 3-methylbutane
    • Isopentylamine; IAA
    • MFCD00008203
    • (3-methylbutyl)amine
    • 3-methyl-butyl-amine
    • Isopentylamine, 99%
    • Isopentylamine, >=98%
    • 3-Methyl-1-butanamine #
    • butane, 1-amino-3-methyl-
    • (3-methyl-but-1-yl)-amine
    • laquo gammaRaquo -isoamylamine
    • 3-Methyl-1-butanamine, 9CI
    • GTPL5506
    • DTXCID0033047
    • FEMA 3219
    • Isopentylamine, analytical standard
    • STR05627
    • BDBM50024589
    • STL185592
    • AKOS000119764
    • FI35550
    • Isopentylamine, purum, >=98.0% (GC)
    • DB-040790
    • I0082
    • NS00007079
    • EN300-19704
    • C02640
    • Q2835874
    • F2190-0364
    • 203-526-0

  • Applications

    Isopentylamine (CAS 107-85-7), also known as isoamylamine, is a strongly basic primary aliphatic amine that serves as a versatile building block in organic synthesis: it is used as an intermediate for introducing amino groups into pharmaceuticals (antihistamines, antivirals, local anesthetics), agrochemicals, dyes and food additives; acts as a component of metal corrosion inhibitors, epoxy resin curing agents, rubber vulcanization accelerators and flotation reagents in mineral processing; it is employed for flavor modification and odor adjustment in fragrance and aroma formulations, as a reducing agent in peptide synthesis, an ion-pairing or derivatization reagent in analytical chemistry, and a basic solvent for Grignard or imine-forming reactions; further applications include the manufacture of surfactants, adhesives, biological buffer solutions and emerging ionic liquid materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 447.18
    methanol 606.02
    isopropanol 228.15
    water 6.21
    ethyl acetate 123.63
    n-propanol 322.18
    acetone 161.62
    n-butanol 328.61
    acetonitrile 127.26
    DMF 82.91
    toluene 24.55
    isobutanol 193.22
    1,4-dioxane 177.72
    methyl acetate 116.19
    THF 469.03
    2-butanone 135.19
    n-pentanol 130.73
    sec-butanol 192.94
    n-hexane 29.15
    ethylene glycol 105.52
    NMP 203.57
    cyclohexane 43.41
    DMSO 178.51
    n-butyl acetate 340.3
    n-octanol 83.66
    chloroform 203.2
    n-propyl acetate 90.61
    acetic acid 601.28
    dichloromethane 123.32
    cyclohexanone 283.43
    propylene glycol 142.71
    isopropyl acetate 68.75
    DMAc 74.11
    2-ethoxyethanol 131.28
    isopentanol 176.19
    n-heptane 88.9
    ethyl formate 122.52
    1,2-dichloroethane 68.7
    n-hexanol 416.32
    2-methoxyethanol 290.36
    isobutyl acetate 59.14
    tetrachloromethane 86.1
    n-pentyl acetate 89.58
    transcutol 290.9
    n-heptanol 145.4
    ethylbenzene 9.64
    MIBK 49.22
    2-propoxyethanol 399.77
    tert-butanol 213.12
    MTBE 97.24
    2-butoxyethanol 194.26
    propionic acid 353.95
    o-xylene 18.47
    formic acid 235.86
    diethyl ether 103.06
    m-xylene 19.31
    p-xylene 16.52
    chlorobenzene 56.92
    dimethyl carbonate 19.76
    n-octane 15.37
    formamide 137.73
    cyclopentanone 311.92
    2-pentanone 105.44
    anisole 29.21
    cyclopentyl methyl ether 156.23
    gamma-butyrolactone 374.89
    1-methoxy-2-propanol 156.79
    pyridine 130.76
    3-pentanone 74.72
    furfural 247.87
    n-dodecane 8.33
    diethylene glycol 229.42
    diisopropyl ether 29.59
    tert-amyl alcohol 186.59
    acetylacetone 81.95
    n-hexadecane 8.65
    acetophenone 35.49
    methyl propionate 81.85
    isopentyl acetate 211.08
    trichloroethylene 144.34
    n-nonanol 71.82
    cyclohexanol 216.68
    benzyl alcohol 44.52
    2-ethylhexanol 230.44
    isooctanol 91.38
    dipropyl ether 186.54
    1,2-dichlorobenzene 48.74
    ethyl lactate 46.98
    propylene carbonate 198.81
    n-methylformamide 136.61
    2-pentanol 145.64
    n-pentane 34.85
    1-propoxy-2-propanol 357.17
    1-methoxy-2-propyl acetate 147.61
    2-(2-methoxypropoxy) propanol 88.03
    mesitylene 13.43
    ε-caprolactone 228.94
    p-cymene 35.56
    epichlorohydrin 175.79
    1,1,1-trichloroethane 103.82
    2-aminoethanol 212.73
    morpholine-4-carbaldehyde 158.51
    sulfolane 319.49
    2,2,4-trimethylpentane 17.18
    2-methyltetrahydrofuran 294.28
    n-hexyl acetate 98.79
    isooctane 11.69
    2-(2-butoxyethoxy)ethanol 142.85
    sec-butyl acetate 48.06
    tert-butyl acetate 74.86
    decalin 12.04
    glycerin 179.76
    diglyme 196.05
    acrylic acid 253.76
    isopropyl myristate 39.07
    n-butyric acid 453.81
    acetyl acetate 84.36
    di(2-ethylhexyl) phthalate 47.7
    ethyl propionate 57.22
    nitromethane 298.55
    1,2-diethoxyethane 114.33
    benzonitrile 68.73
    trioctyl phosphate 42.3
    1-bromopropane 65.98
    gamma-valerolactone 315.85
    n-decanol 53.67
    triethyl phosphate 53.34
    4-methyl-2-pentanol 62.26
    propionitrile 117.69
    vinylene carbonate 145.88
    1,1,2-trichlorotrifluoroethane 209.17
    DMS 45.16
    cumene 10.8
    2-octanol 68.41
    2-hexanone 77.0
    octyl acetate 56.69
    limonene 81.89
    1,2-dimethoxyethane 123.76
    ethyl orthosilicate 58.05
    tributyl phosphate 54.04
    diacetone alcohol 100.34
    N,N-dimethylaniline 19.2
    acrylonitrile 109.38
    aniline 75.44
    1,3-propanediol 282.47
    bromobenzene 41.18
    dibromomethane 101.17
    1,1,2,2-tetrachloroethane 131.28
    2-methyl-cyclohexyl acetate 106.56
    tetrabutyl urea 53.9
    diisobutyl methanol 91.38
    2-phenylethanol 101.47
    styrene 13.4
    dioctyl adipate 52.96
    dimethyl sulfate 31.38
    ethyl butyrate 160.73
    methyl lactate 56.14
    butyl lactate 94.15
    diethyl carbonate 76.42
    propanediol butyl ether 120.13
    triethyl orthoformate 116.47
    p-tert-butyltoluene 36.77
    methyl 4-tert-butylbenzoate 57.96
    morpholine 235.74
    tert-butylamine 133.22
    n-dodecanol 42.05
    dimethoxymethane 57.78
    ethylene carbonate 132.83
    cyrene 67.97
    2-ethoxyethyl acetate 84.33
    2-ethylhexyl acetate 169.54
    1,2,4-trichlorobenzene 62.11
    4-methylpyridine 88.38
    dibutyl ether 77.68
    2,6-dimethyl-4-heptanol 91.38
    DEF 87.75
    dimethyl isosorbide 153.09
    tetrachloroethylene 124.8
    eugenol 64.77
    triacetin 75.62
    span 80 132.41
    1,4-butanediol 81.22
    1,1-dichloroethane 78.9
    2-methyl-1-pentanol 88.84
    methyl formate 90.48
    2-methyl-1-butanol 177.7
    n-decane 14.35
    butyronitrile 147.69
    3,7-dimethyl-1-octanol 80.75
    1-chlorooctane 39.62
    1-chlorotetradecane 15.97
    n-nonane 15.08
    undecane 10.44
    tert-butylcyclohexane 15.13
    cyclooctane 13.9
    cyclopentanol 276.42
    tetrahydropyran 242.38
    tert-amyl methyl ether 73.37
    2,5,8-trioxanonane 135.84
    1-hexene 50.19
    2-isopropoxyethanol 81.51
    2,2,2-trifluoroethanol 156.13
    methyl butyrate 86.13

    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