Octylamine

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  • Identifiers

    CAS number
    111-86-4

    Molecular formula
    C8H19N

    SMILES
    CCCCCCCCN

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fishy 68.64%
    Cheesy 67.75%
    Ripe 41.34%
    Fatty 36.83%
    Fresh 35.53%
    Waxy 33.4%
    Animal 31.99%
    Citrus 31.49%
    Oily 30.07%
    Musty 29.16%

     

    Flavor
    Alkane 37.92%
    Waxy 30.88%
    Fishy 30.02%
    Ammoniacal 28.59%
    Fatty 26.32%
    Ammonia 23.94%
    Skunky 22.83%
    Incense 22.29%
    Slightly waxy 22.26%
    Clean clothes 22.25%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    7.47 (neutral)

    Molecular weight
    129.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    180°C

    Flash point

    • 62.45 ˚C est.

  • Synonyms

    • Octylamine
    • octan-1-amine
    • N-OCTYLAMINE
    • 111-86-4
    • 1-Aminooctane
    • 1-Octanamine
    • 1-Octylamine
    • Caprylamine
    • Caprylylamine
    • Octanamine
    • Armeen 8
    • n-Octylamine, mono-
    • Armeen 8D
    • Monoctylamine
    • Monooctylamine
    • NSC 9824
    • EINECS 203-916-0
    • UNII-SF0V8U4T67
    • Amine 8D
    • BRN 1679227
    • CHEBI:7728
    • SF0V8U4T67
    • DTXSID8021939
    • AI3-11522
    • GENAMIN 8R
    • NSC-9824
    • n-C8H17NH2
    • DTXCID401939
    • EC 203-916-0
    • 4-04-00-00751 (Beilstein Handbook Reference)
    • MFCD00008247
    • nOctylamine
    • 1octylamine
    • octyl amine
    • octyl-amine
    • Octyl-ammonium
    • 1Aminooctane
    • 1Octanamine
    • Octan1amine
    • n-octyl-amine
    • N-Octyl amine
    • 1-octyl amine
    • nOctylamine, mono
    • EINECS 268-218-0
    • octane, 1-amino-
    • Octylamine, 99%
    • Octylamine, >=99.5%
    • SCHEMBL25545
    • WLN: Z8
    • MLS002222344
    • Octylamine, analytical standard
    • CHEMBL1160509
    • NSC9824
    • STR03145
    • Tox21_200052
    • STL484288
    • AKOS009075839
    • NCGC00090924-01
    • NCGC00090924-02
    • NCGC00257606-01
    • Octylamine, puriss., >=99.0% (GC)
    • 149698-79-3
    • BP-21015
    • BP-31176
    • CAS-111-86-4
    • SMR001253809
    • CS-0076038
    • NS00008237
    • O0045
    • EN300-22061
    • C01740
    • A802426
    • Q2013954
    • F2190-0498
    • 6E6D539B-16BC-4721-9F9E-13E1C44995DE
    • 203-916-0
    • FKZ

  • Applications

    Octylamine (CAS 111-86-4) is a long-chain primary aliphatic amine used mainly as an intermediate for the manufacture of cationic surfactants and quaternary ammonium compounds for detergents, cleaners, and coatings; as a reactive amine in polymer and coating formulations, it can act as a curing agent or crosslinking component in epoxy and polyurethane systems; it serves as a building block for agrochemical actives and as a precursor in fragrance and cosmetic chemistry for scent-related compounds; and it is employed as a corrosion-inhibiting additive in metalworking fluids, as well as a modifier or chain extender in plastics processing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8912.31
    methanol 7991.91
    isopropanol 8341.54
    water 0.47
    ethyl acetate 5035.51
    n-propanol 8629.84
    acetone 8674.0
    n-butanol 9325.8
    acetonitrile 3599.71
    DMF 4321.83
    toluene 1233.83
    isobutanol 5904.64
    1,4-dioxane 4951.41
    methyl acetate 2852.47
    THF 12881.0
    2-butanone 5120.25
    n-pentanol 4514.28
    sec-butanol 5592.21
    n-hexane 1523.49
    ethylene glycol 669.49
    NMP 2593.3
    cyclohexane 2081.62
    DMSO 7727.33
    n-butyl acetate 7881.54
    n-octanol 1065.49
    chloroform 6052.26
    n-propyl acetate 3310.5
    acetic acid 3838.58
    dichloromethane 4833.28
    cyclohexanone 6736.13
    propylene glycol 1228.12
    isopropyl acetate 2806.42
    DMAc 1550.73
    2-ethoxyethanol 3220.48
    isopentanol 5957.47
    n-heptane 2212.41
    ethyl formate 3113.16
    1,2-dichloroethane 3711.83
    n-hexanol 7270.53
    2-methoxyethanol 6365.88
    isobutyl acetate 1573.33
    tetrachloromethane 1754.53
    n-pentyl acetate 1791.95
    transcutol 4896.82
    n-heptanol 1944.41
    ethylbenzene 447.55
    MIBK 2341.78
    2-propoxyethanol 6029.24
    tert-butanol 8267.18
    MTBE 5037.78
    2-butoxyethanol 2511.47
    propionic acid 3359.18
    o-xylene 501.37
    formic acid 681.17
    diethyl ether 6297.3
    m-xylene 677.8
    p-xylene 579.92
    chlorobenzene 1485.29
    dimethyl carbonate 505.31
    n-octane 346.53
    formamide 931.17
    cyclopentanone 7602.13
    2-pentanone 5677.58
    anisole 811.78
    cyclopentyl methyl ether 5462.05
    gamma-butyrolactone 5917.36
    1-methoxy-2-propanol 4779.69
    pyridine 4133.0
    3-pentanone 2733.97
    furfural 2955.22
    n-dodecane 118.81
    diethylene glycol 2060.62
    diisopropyl ether 1587.89
    tert-amyl alcohol 4550.49
    acetylacetone 2899.42
    n-hexadecane 136.54
    acetophenone 653.99
    methyl propionate 2725.1
    isopentyl acetate 4286.35
    trichloroethylene 4948.22
    n-nonanol 846.36
    cyclohexanol 4843.84
    benzyl alcohol 771.97
    2-ethylhexanol 3874.16
    isooctanol 1285.39
    dipropyl ether 7915.57
    1,2-dichlorobenzene 1023.6
    ethyl lactate 698.59
    propylene carbonate 2712.19
    n-methylformamide 3001.58
    2-pentanol 5383.73
    n-pentane 1487.3
    1-propoxy-2-propanol 5876.92
    1-methoxy-2-propyl acetate 2562.36
    2-(2-methoxypropoxy) propanol 621.4
    mesitylene 427.57
    ε-caprolactone 4189.77
    p-cymene 633.39
    epichlorohydrin 4865.72
    1,1,1-trichloroethane 3584.15
    2-aminoethanol 2106.86
    morpholine-4-carbaldehyde 2326.88
    sulfolane 4928.3
    2,2,4-trimethylpentane 364.12
    2-methyltetrahydrofuran 8639.46
    n-hexyl acetate 1705.91
    isooctane 340.54
    2-(2-butoxyethoxy)ethanol 1459.86
    sec-butyl acetate 1548.67
    tert-butyl acetate 2474.83
    decalin 366.47
    glycerin 1102.23
    diglyme 3129.61
    acrylic acid 1694.94
    isopropyl myristate 482.46
    n-butyric acid 8297.16
    acetyl acetate 1641.89
    di(2-ethylhexyl) phthalate 307.46
    ethyl propionate 2044.39
    nitromethane 4430.37
    1,2-diethoxyethane 3624.67
    benzonitrile 1312.12
    trioctyl phosphate 344.09
    1-bromopropane 3788.03
    gamma-valerolactone 5843.7
    n-decanol 570.77
    triethyl phosphate 683.11
    4-methyl-2-pentanol 1990.08
    propionitrile 4291.97
    vinylene carbonate 1794.24
    1,1,2-trichlorotrifluoroethane 2487.13
    DMS 587.52
    cumene 275.19
    2-octanol 930.39
    2-hexanone 3337.38
    octyl acetate 604.24
    limonene 1649.47
    1,2-dimethoxyethane 5409.37
    ethyl orthosilicate 835.49
    tributyl phosphate 487.57
    diacetone alcohol 2264.91
    N,N-dimethylaniline 429.73
    acrylonitrile 3247.02
    aniline 1703.77
    1,3-propanediol 3805.25
    bromobenzene 1460.25
    dibromomethane 4097.04
    1,1,2,2-tetrachloroethane 4043.1
    2-methyl-cyclohexyl acetate 1346.46
    tetrabutyl urea 583.09
    diisobutyl methanol 1692.86
    2-phenylethanol 1269.82
    styrene 660.76
    dioctyl adipate 559.33
    dimethyl sulfate 661.44
    ethyl butyrate 4364.88
    methyl lactate 835.94
    butyl lactate 1116.43
    diethyl carbonate 1412.22
    propanediol butyl ether 1164.59
    triethyl orthoformate 2196.89
    p-tert-butyltoluene 616.96
    methyl 4-tert-butylbenzoate 516.63
    morpholine 7278.64
    tert-butylamine 5813.4
    n-dodecanol 422.1
    dimethoxymethane 3365.27
    ethylene carbonate 2083.87
    cyrene 508.59
    2-ethoxyethyl acetate 1446.25
    2-ethylhexyl acetate 3138.51
    1,2,4-trichlorobenzene 982.75
    4-methylpyridine 3318.3
    dibutyl ether 2777.1
    2,6-dimethyl-4-heptanol 1692.86
    DEF 3891.22
    dimethyl isosorbide 1231.1
    tetrachloroethylene 3345.45
    eugenol 488.96
    triacetin 751.73
    span 80 902.02
    1,4-butanediol 1034.34
    1,1-dichloroethane 4540.38
    2-methyl-1-pentanol 2449.49
    methyl formate 1745.99
    2-methyl-1-butanol 4666.88
    n-decane 272.96
    butyronitrile 6589.18
    3,7-dimethyl-1-octanol 1197.67
    1-chlorooctane 810.51
    1-chlorotetradecane 227.9
    n-nonane 329.34
    undecane 168.36
    tert-butylcyclohexane 358.72
    cyclooctane 513.63
    cyclopentanol 5650.4
    tetrahydropyran 10493.71
    tert-amyl methyl ether 2696.44
    2,5,8-trioxanonane 1311.98
    1-hexene 3697.29
    2-isopropoxyethanol 1906.83
    2,2,2-trifluoroethanol 601.34
    methyl butyrate 3416.77

    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