Hexylamine

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  • Identifiers

    CAS number
    111-26-2

    Molecular formula
    C6H15N

    SMILES
    CCCCCCN

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Cheesy 81.88%
    Fishy 79.04%
    Ripe 51.28%
    Fresh 35.22%
    Musty 32.82%
    Animal 31.25%
    Oily 28.67%
    Fatty 28.62%
    Sweaty 25.69%
    Pungent 25.25%

     

    Flavor
    Fishy 46.05%
    Ammoniacal 39.81%
    Alkane 31.69%
    Ammonia 30.57%
    Fatty 26.3%
    Meaty 26.06%
    Skunky 23.55%
    Glue 23.03%
    Sulfurous 22.77%
    Bloody 22.73%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.25 (neutral)

    Molecular weight
    101.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • -21 °C
    • -22.9 °C

    Boiling point

    • 132 °C
    • 131-132 °C

    Flash point

    • 34.64 ˚C est.
    • 85 °F (NFPA, 2010)
    • 85 °F (29 °C) (Open cup)
    • 27 °C (81 °F) (Closed cup)
    • 29 °C o.c.

    Solubility expt.

    • In water, 12,000 mg/L at 20-25 °C
    • Miscibile in ethanol, ether; soluble in chloroform
    • 12 mg/mL at 25 °C
    • Solubility in water, g/100ml: 1.2
    • Soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Hexylamine
    • 111-26-2
    • n-Hexylamine
    • hexan-1-amine
    • 1-Aminohexane
    • 1-HEXANAMINE
    • 1-Hexylamine
    • Mono-n-hexylamine
    • NSC 2590
    • EINECS 203-851-8
    • UNII-CI4E002ZV8
    • ENT 16554
    • MFCD00008240
    • hexanamine
    • BRN 1731298
    • CHEBI:5712
    • CI4E002ZV8
    • DTXSID3021930
    • AI3-16554
    • NSC-2590
    • DTXCID801930
    • FEMA NO. 4243
    • HSDB 8444
    • EC 203-851-8
    • 4-04-00-00709 (Beilstein Handbook Reference)
    • Hexyl amine
    • hexyl-amine
    • pentylmethanamine
    • n-n-hexylamine
    • n-hexyl amine
    • hexane-1-amine
    • Hexyl amine-1
    • hexane, 1-amino-
    • Hexylamine, 99%
    • HEXYLAMINE [FHFI]
    • SCHEMBL15939
    • n-C6H13NH2
    • WLN: Z6
    • Hexylamine, analytical standard
    • CHEMBL1320720
    • NSC2590
    • Tox21_200036
    • BBL011106
    • STK802350
    • AKOS000119866
    • Hexylamine, purum, >=98.0% (GC)
    • NCGC00091816-01
    • NCGC00091816-02
    • NCGC00257590-01
    • BP-30167
    • BP-31178
    • CAS-111-26-2
    • VS-02837
    • H0134
    • NS00010838
    • EN300-19756
    • C08306
    • Q426238
    • F2191-0288
    • InChI=1/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H
    • 203-851-8

  • Applications

    Hexylamine (CAS 111-26-2) is primarily used as an industrial building block. In coatings and polymer systems, it can act as a curing agent and/or chain extender for polyurethane and epoxy formulations, helping to regulate crosslinking and mechanical properties. It serves as a precursor for colorant chemistry, supporting the synthesis of dyes and pigments. As an aliphatic primary amine, hexylamine is a feedstock for the production of surfactants and quaternary ammonium compounds used in cleaners and sanitation products. It is commonly considered an intermediate in the synthesis of pharmaceuticals and agrochemicals, enabling routes to amine-containing compounds with a six-carbon chain. More broadly, hexylamine can be used as a building block for specialty polymers and functional polymer formulations. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1755.07
    methanol 1374.95
    isopropanol 1342.07
    water 0.86
    ethyl acetate 496.99
    n-propanol 1516.91
    acetone 904.95
    n-butanol 1677.05
    acetonitrile 573.91
    DMF 720.06
    toluene 158.86
    isobutanol 981.19
    1,4-dioxane 844.2
    methyl acetate 368.96
    THF 2360.55
    2-butanone 560.6
    n-pentanol 707.84
    sec-butanol 910.84
    n-hexane 130.33
    ethylene glycol 206.2
    NMP 616.65
    cyclohexane 228.32
    DMSO 1522.19
    n-butyl acetate 1139.08
    n-octanol 248.02
    chloroform 1329.64
    n-propyl acetate 353.44
    acetic acid 1085.88
    dichloromethane 1117.11
    cyclohexanone 1137.24
    propylene glycol 359.62
    isopropyl acetate 283.78
    DMAc 263.93
    2-ethoxyethanol 531.08
    isopentanol 946.79
    n-heptane 361.57
    ethyl formate 527.82
    1,2-dichloroethane 620.83
    n-hexanol 1541.5
    2-methoxyethanol 1232.71
    isobutyl acetate 206.17
    tetrachloromethane 311.9
    n-pentyl acetate 295.27
    transcutol 865.92
    n-heptanol 429.82
    ethylbenzene 58.97
    MIBK 269.64
    2-propoxyethanol 1246.2
    tert-butanol 1176.1
    MTBE 451.26
    2-butoxyethanol 539.66
    propionic acid 764.17
    o-xylene 80.46
    formic acid 222.86
    diethyl ether 604.29
    m-xylene 93.88
    p-xylene 80.24
    chlorobenzene 269.27
    dimethyl carbonate 81.27
    n-octane 56.3
    formamide 233.1
    cyclopentanone 1294.49
    2-pentanone 598.33
    anisole 127.57
    cyclopentyl methyl ether 762.35
    gamma-butyrolactone 1224.81
    1-methoxy-2-propanol 854.45
    pyridine 738.16
    3-pentanone 291.84
    furfural 801.18
    n-dodecane 27.15
    diethylene glycol 552.02
    diisopropyl ether 140.33
    tert-amyl alcohol 630.77
    acetylacetone 402.33
    n-hexadecane 29.79
    acetophenone 123.09
    methyl propionate 326.18
    isopentyl acetate 680.34
    trichloroethylene 925.91
    n-nonanol 200.51
    cyclohexanol 898.75
    benzyl alcohol 158.68
    2-ethylhexanol 783.49
    isooctanol 265.79
    dipropyl ether 980.65
    1,2-dichlorobenzene 204.01
    ethyl lactate 139.66
    propylene carbonate 620.39
    n-methylformamide 562.09
    2-pentanol 761.61
    n-pentane 163.07
    1-propoxy-2-propanol 1151.48
    1-methoxy-2-propyl acetate 456.62
    2-(2-methoxypropoxy) propanol 187.75
    mesitylene 59.85
    ε-caprolactone 780.88
    p-cymene 121.84
    epichlorohydrin 972.39
    1,1,1-trichloroethane 514.57
    2-aminoethanol 551.68
    morpholine-4-carbaldehyde 559.38
    sulfolane 1163.89
    2,2,4-trimethylpentane 47.97
    2-methyltetrahydrofuran 1337.9
    n-hexyl acetate 306.73
    isooctane 44.03
    2-(2-butoxyethoxy)ethanol 345.32
    sec-butyl acetate 174.18
    tert-butyl acetate 268.35
    decalin 49.42
    glycerin 364.13
    diglyme 654.17
    acrylic acid 473.74
    isopropyl myristate 105.95
    n-butyric acid 1574.88
    acetyl acetate 244.51
    di(2-ethylhexyl) phthalate 99.72
    ethyl propionate 222.5
    nitromethane 907.36
    1,2-diethoxyethane 499.2
    benzonitrile 280.82
    trioctyl phosphate 107.48
    1-bromopropane 589.42
    gamma-valerolactone 1228.06
    n-decanol 142.07
    triethyl phosphate 150.51
    4-methyl-2-pentanol 283.31
    propionitrile 611.49
    vinylene carbonate 450.09
    1,1,2-trichlorotrifluoroethane 625.69
    DMS 127.66
    cumene 44.26
    2-octanol 197.35
    2-hexanone 374.38
    octyl acetate 141.7
    limonene 296.23
    1,2-dimethoxyethane 753.36
    ethyl orthosilicate 163.28
    tributyl phosphate 128.67
    diacetone alcohol 354.37
    N,N-dimethylaniline 79.81
    acrylonitrile 532.22
    aniline 294.15
    1,3-propanediol 915.54
    bromobenzene 238.17
    dibromomethane 851.74
    1,1,2,2-tetrachloroethane 704.19
    2-methyl-cyclohexyl acetate 285.37
    tetrabutyl urea 160.91
    diisobutyl methanol 307.08
    2-phenylethanol 289.38
    styrene 84.68
    dioctyl adipate 151.86
    dimethyl sulfate 133.11
    ethyl butyrate 585.92
    methyl lactate 177.68
    butyl lactate 239.17
    diethyl carbonate 251.86
    propanediol butyl ether 325.71
    triethyl orthoformate 365.9
    p-tert-butyltoluene 122.37
    methyl 4-tert-butylbenzoate 142.27
    morpholine 1276.02
    tert-butylamine 729.46
    n-dodecanol 108.6
    dimethoxymethane 426.04
    ethylene carbonate 433.54
    cyrene 157.34
    2-ethoxyethyl acetate 247.65
    2-ethylhexyl acetate 506.55
    1,2,4-trichlorobenzene 222.55
    4-methylpyridine 511.58
    dibutyl ether 361.37
    2,6-dimethyl-4-heptanol 307.08
    DEF 506.16
    dimethyl isosorbide 350.6
    tetrachloroethylene 558.98
    eugenol 148.35
    triacetin 171.95
    span 80 290.86
    1,4-butanediol 254.64
    1,1-dichloroethane 642.45
    2-methyl-1-pentanol 386.4
    methyl formate 327.98
    2-methyl-1-butanol 764.92
    n-decane 49.6
    butyronitrile 985.31
    3,7-dimethyl-1-octanol 232.85
    1-chlorooctane 144.72
    1-chlorotetradecane 51.67
    n-nonane 55.57
    undecane 34.38
    tert-butylcyclohexane 48.8
    cyclooctane 64.31
    cyclopentanol 1243.85
    tetrahydropyran 1416.52
    tert-amyl methyl ether 277.35
    2,5,8-trioxanonane 362.95
    1-hexene 338.41
    2-isopropoxyethanol 303.72
    2,2,2-trifluoroethanol 185.44
    methyl butyrate 397.05

    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