Isobutylamine

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  • Identifiers

    CAS number
    78-81-9

    Molecular formula
    C4H11N

    SMILES
    CC(C)CN

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Cheesy 84.99%
    Fishy 80.79%
    Ripe 64.06%
    Fermented 32.37%
    Oily 27.68%
    Sweaty 27.53%
    Pungent 25.42%
    Musty 21.09%
    Solvent 20.34%
    Animal 19.27%

    Scent© AI

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    7.63 (neutral)

    Molecular weight
    73.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -121 °F (NTP, 1992)
    • -85 °C
    • -84.6 °C

    Boiling point

    • 154 to 156 °F at 760 mmHg (NTP, 1992)
    • 68-69 °C
    • 67.00 to 71.00 °C. @ 760.00 mm Hg

    Flash point est.
    -5.93 ˚C

    Flash point expt.

    • 15 °F (NTP, 1992)
    • 15 °F (-9 °C) (closed cup)
    • -9.0 °C c.c.

    Solubility expt.

    • Very soluble (NTP, 1992)
    • Very sol in alcohol, ether; Sol in acetone, benzene
    • In water, 1X10+6 mg/L (miscible) at 25 °C
    • 1000 mg/mL at 25 °C
    • Solubility in water: miscible
    • Soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • ISOBUTYLAMINE
    • 78-81-9
    • 2-methylpropan-1-amine
    • 1-Amino-2-methylpropane
    • 2-Methylpropylamine
    • Monoisobutylamine
    • Valamine
    • iso-Butylamine
    • 1-Propanamine, 2-methyl-
    • 2-Methylpropanamine
    • I-Butylamine
    • 2-Methyl-1-propanamine
    • 3-Methyl-2-propylamine
    • isobutyl amine
    • 2-Methyl-1-Aminopropane
    • NSC 8028
    • CCRIS 6250
    • HSDB 612
    • iso-C4H9NH2
    • EINECS 201-145-4
    • 1H60H4LOHZ
    • UN1214
    • AI3-24039
    • 2-methyl-1-propylamine
    • NSC-8028
    • MFCD00008146
    • ISOBUTYLAMINE [MI]
    • ISOBUTYLAMINE [FHFI]
    • ISOBUTYLAMINE [HSDB]
    • DTXSID9025459
    • FEMA NO. 4239
    • CHEBI:15997
    • AMINO-2-METHYL PROPANE, 1-
    • Isobutylamine, 99%
    • propane, 1-amino-2-methyl-
    • UNII-1H60H4LOHZ
    • ibutylamine
    • isobutyl-amine
    • iso-butyl amine
    • Valamine?
    • N-iso-butylamine
    • 2methylpropylamine
    • 2Methyl1propanamine
    • 3Methyl2propylamine
    • 1Amino2methylpropane
    • iBuNH2
    • Isobutylamine, 8CI
    • 2-methylpropyl amine
    • (2-methylpropyl)amine
    • i-BuNH2
    • 1Propanamine, 2methyl
    • 2-methylpropane-1-amine
    • 1-amino-2-methyl-propane
    • 2-Methyl-1-propanamine, 9CI
    • DTXCID405459
    • WLN: Z1Y1&1
    • NSC8028
    • Isobutylamine, analytical standard
    • STR01259
    • STL183318
    • AKOS000119607
    • UN 1214
    • Isobutylamine, purum, >=98.0% (GC)
    • DB-056335
    • I0095
    • NS00021357
    • EN300-20218
    • Isobutylamine [UN1214] [Flammable liquid]
    • C02787
    • Q416655
    • F2190-0360
    • 201-145-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 145.48
    methanol 191.75
    isopropanol 84.61
    water 7.61
    ethyl acetate 49.91
    n-propanol 128.85
    acetone 47.04
    n-butanol 149.26
    acetonitrile 50.54
    DMF 50.78
    toluene 14.28
    isobutanol 83.45
    1,4-dioxane 54.75
    methyl acetate 54.64
    THF 141.94
    2-butanone 57.33
    n-pentanol 67.81
    sec-butanol 94.61
    n-hexane 11.33
    ethylene glycol 55.64
    NMP 88.32
    cyclohexane 12.14
    DMSO 61.3
    n-butyl acetate 118.63
    n-octanol 41.6
    chloroform 147.82
    n-propyl acetate 37.17
    acetic acid 209.95
    dichloromethane 72.27
    cyclohexanone 81.97
    propylene glycol 81.97
    isopropyl acetate 31.56
    DMAc 58.0
    2-ethoxyethanol 76.53
    isopentanol 89.27
    n-heptane 23.97
    ethyl formate 63.55
    1,2-dichloroethane 34.45
    n-hexanol 149.72
    2-methoxyethanol 137.58
    isobutyl acetate 27.23
    tetrachloromethane 52.05
    n-pentyl acetate 45.25
    transcutol 140.68
    n-heptanol 73.18
    ethylbenzene 7.55
    MIBK 26.2
    2-propoxyethanol 161.66
    tert-butanol 85.17
    MTBE 42.77
    2-butoxyethanol 103.75
    propionic acid 147.89
    o-xylene 11.87
    formic acid 96.01
    diethyl ether 39.62
    m-xylene 10.76
    p-xylene 12.1
    chlorobenzene 30.25
    dimethyl carbonate 13.86
    n-octane 6.69
    formamide 69.83
    cyclopentanone 116.66
    2-pentanone 47.74
    anisole 17.48
    cyclopentyl methyl ether 62.14
    gamma-butyrolactone 132.73
    1-methoxy-2-propanol 91.07
    pyridine 65.9
    3-pentanone 37.4
    furfural 125.39
    n-dodecane 3.79
    diethylene glycol 110.55
    diisopropyl ether 12.48
    tert-amyl alcohol 91.36
    acetylacetone 35.75
    n-hexadecane 3.83
    acetophenone 22.56
    methyl propionate 42.4
    isopentyl acetate 78.68
    trichloroethylene 86.26
    n-nonanol 36.76
    cyclohexanol 74.06
    benzyl alcohol 29.15
    2-ethylhexanol 89.6
    isooctanol 48.92
    dipropyl ether 62.28
    1,2-dichlorobenzene 25.95
    ethyl lactate 34.89
    propylene carbonate 91.16
    n-methylformamide 69.27
    2-pentanol 75.79
    n-pentane 13.77
    1-propoxy-2-propanol 156.04
    1-methoxy-2-propyl acetate 62.76
    2-(2-methoxypropoxy) propanol 54.01
    mesitylene 6.84
    ε-caprolactone 83.83
    p-cymene 18.29
    epichlorohydrin 77.97
    1,1,1-trichloroethane 54.53
    2-aminoethanol 105.26
    morpholine-4-carbaldehyde 68.94
    sulfolane 115.71
    2,2,4-trimethylpentane 9.81
    2-methyltetrahydrofuran 97.57
    n-hexyl acetate 43.86
    isooctane 5.44
    2-(2-butoxyethoxy)ethanol 80.23
    sec-butyl acetate 25.06
    tert-butyl acetate 32.84
    decalin 5.15
    glycerin 106.22
    diglyme 101.25
    acrylic acid 125.52
    isopropyl myristate 17.7
    n-butyric acid 201.13
    acetyl acetate 35.66
    di(2-ethylhexyl) phthalate 24.84
    ethyl propionate 28.37
    nitromethane 108.12
    1,2-diethoxyethane 44.55
    benzonitrile 39.95
    trioctyl phosphate 21.02
    1-bromopropane 34.75
    gamma-valerolactone 112.42
    n-decanol 26.86
    triethyl phosphate 29.61
    4-methyl-2-pentanol 37.48
    propionitrile 63.63
    vinylene carbonate 69.49
    1,1,2-trichlorotrifluoroethane 124.77
    DMS 22.58
    cumene 7.71
    2-octanol 37.47
    2-hexanone 36.55
    octyl acetate 28.42
    limonene 32.03
    1,2-dimethoxyethane 60.79
    ethyl orthosilicate 31.82
    tributyl phosphate 24.49
    diacetone alcohol 55.98
    N,N-dimethylaniline 14.21
    acrylonitrile 66.83
    aniline 47.08
    1,3-propanediol 131.61
    bromobenzene 22.17
    dibromomethane 56.91
    1,1,2,2-tetrachloroethane 81.21
    2-methyl-cyclohexyl acetate 48.08
    tetrabutyl urea 25.26
    diisobutyl methanol 37.66
    2-phenylethanol 48.25
    styrene 9.72
    dioctyl adipate 25.2
    dimethyl sulfate 23.37
    ethyl butyrate 71.4
    methyl lactate 42.88
    butyl lactate 57.82
    diethyl carbonate 37.58
    propanediol butyl ether 69.92
    triethyl orthoformate 54.45
    p-tert-butyltoluene 17.96
    methyl 4-tert-butylbenzoate 35.82
    morpholine 82.68
    tert-butylamine 59.7
    n-dodecanol 20.45
    dimethoxymethane 29.64
    ethylene carbonate 58.24
    cyrene 41.29
    2-ethoxyethyl acetate 42.78
    2-ethylhexyl acetate 64.35
    1,2,4-trichlorobenzene 32.9
    4-methylpyridine 50.13
    dibutyl ether 31.76
    2,6-dimethyl-4-heptanol 37.66
    DEF 51.11
    dimethyl isosorbide 71.28
    tetrachloroethylene 70.88
    eugenol 43.01
    triacetin 41.08
    span 80 72.66
    1,4-butanediol 48.15
    1,1-dichloroethane 47.52
    2-methyl-1-pentanol 52.52
    methyl formate 43.86
    2-methyl-1-butanol 91.41
    n-decane 6.15
    butyronitrile 77.35
    3,7-dimethyl-1-octanol 37.35
    1-chlorooctane 17.52
    1-chlorotetradecane 7.3
    n-nonane 6.24
    undecane 4.61
    tert-butylcyclohexane 6.41
    cyclooctane 5.11
    cyclopentanol 99.4
    tetrahydropyran 70.68
    tert-amyl methyl ether 40.13
    2,5,8-trioxanonane 71.73
    1-hexene 25.75
    2-isopropoxyethanol 50.09
    2,2,2-trifluoroethanol 77.61
    methyl butyrate 44.23

    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