1-Heptanamine

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  • Identifiers

    CAS number
    111-68-2

    Molecular formula
    C7H17N

    SMILES
    CCCCCCCN

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

  • Odor profile

    Fragrance
    Cheesy 74.91%
    Fishy 73.61%
    Ripe 45.39%
    Fresh 36.37%
    Fatty 33.72%
    Musty 31.8%
    Animal 31.79%
    Oily 29.88%
    Citrus 28.0%
    Meaty 25.36%

     

    Flavor
    Fishy 36.98%
    Alkane 34.89%
    Ammoniacal 33.64%
    Ammonia 26.91%
    Fatty 26.77%
    Waxy 26.04%
    Skunky 23.3%
    Glue 22.49%
    Bloody 22.25%
    Clean clothes 22.24%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.46 (neutral)

    Molecular weight
    115.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    157°C

    Flash point

    • 51.81 ˚C est.

  • Synonyms

    • Heptylamine
    • 1-Aminoheptane
    • 111-68-2
    • N-HEPTYLAMINE
    • 1-Heptanamine
    • heptan-1-amine
    • 1-Heptylamine
    • heptyl-amine
    • NSC 2074
    • EINECS 203-895-8
    • BRN 1731688
    • DTXSID7020681
    • AI3-24038
    • DTXCID50681
    • 4-04-00-00734 (Beilstein Handbook Reference)
    • NSC-2074
    • Heptanamine
    • heptyl amine
    • NSC2074
    • heptane, 1-amino-
    • Heptylamine, 99%
    • MFCD00008244
    • A1ISO
    • B4GL3L6JSL
    • SCHEMBL24269
    • CH3(CH2)6NH2
    • CHEMBL3561940
    • WJYIASZWHGOTOU-UHFFFAOYSA-
    • CHEBI:182628
    • Tox21_201004
    • AKOS009075808
    • FH30114
    • NCGC00090981-01
    • NCGC00090981-02
    • NCGC00258557-01
    • AS-47952
    • CAS-111-68-2
    • DB-029885
    • H0045
    • NS00023580
    • EN300-22060
    • F17097
    • A802395
    • Q788864
    • F9995-1631
    • InChI=1/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3
    • Heptylamine (6CI,8CI); 1-Aminoheptane; 1-Heptylamine; NSC 2074; n-Heptylamine
    • 203-895-8

  • Applications

    1-Heptanamine (CAS 111-68-2) is a primary aliphatic amine used primarily as a reactive building block in organic synthesis. It serves as an intermediate for making quaternary ammonium surfactants and cationic conditioning agents used in household cleaners, personal care products, and polymer formulations. It is also employed as a curing or co-reactant in epoxy resin systems for coatings and adhesive applications, contributing to crosslinking and film properties. In polymer and plastics chemistry, it can act as a precursor for polymer and plastic formulations. It is also used as a building block for amine-containing intermediates in pharmaceutical and agrochemical development. Additionally, it may function as a solvent or solvent blend component in certain process formulations, though handling, toxicity, and local regulatory constraints apply.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10129.86
    methanol 10809.11
    isopropanol 7613.14
    water 1.79
    ethyl acetate 3857.8
    n-propanol 9085.91
    acetone 7791.67
    n-butanol 9895.88
    acetonitrile 3404.41
    DMF 4410.33
    toluene 1001.71
    isobutanol 5687.19
    1,4-dioxane 4076.59
    methyl acetate 2459.46
    THF 11167.55
    2-butanone 4189.91
    n-pentanol 4150.59
    sec-butanol 5068.86
    n-hexane 896.89
    ethylene glycol 1034.38
    NMP 2942.83
    cyclohexane 1227.87
    DMSO 8780.32
    n-butyl acetate 6749.76
    n-octanol 909.3
    chloroform 5724.72
    n-propyl acetate 2780.11
    acetic acid 4939.54
    dichloromethane 4395.57
    cyclohexanone 6172.6
    propylene glycol 1585.16
    isopropyl acetate 1989.12
    DMAc 1346.1
    2-ethoxyethanol 3160.77
    isopentanol 5811.12
    n-heptane 1376.82
    ethyl formate 3416.09
    1,2-dichloroethane 3111.24
    n-hexanol 6491.89
    2-methoxyethanol 6973.23
    isobutyl acetate 1255.03
    tetrachloromethane 1673.65
    n-pentyl acetate 1430.7
    transcutol 4276.73
    n-heptanol 1626.85
    ethylbenzene 340.36
    MIBK 1809.33
    2-propoxyethanol 5906.95
    tert-butanol 6887.22
    MTBE 3219.18
    2-butoxyethanol 2242.2
    propionic acid 4110.58
    o-xylene 414.02
    formic acid 1204.05
    diethyl ether 4290.69
    m-xylene 549.01
    p-xylene 456.67
    chlorobenzene 1368.85
    dimethyl carbonate 467.44
    n-octane 214.28
    formamide 1490.58
    cyclopentanone 7711.32
    2-pentanone 4654.61
    anisole 688.72
    cyclopentyl methyl ether 4579.9
    gamma-butyrolactone 6442.56
    1-methoxy-2-propanol 4542.64
    pyridine 3982.42
    3-pentanone 2219.37
    furfural 3343.9
    n-dodecane 73.68
    diethylene glycol 2291.38
    diisopropyl ether 953.96
    tert-amyl alcohol 3733.42
    acetylacetone 2427.64
    n-hexadecane 83.11
    acetophenone 588.07
    methyl propionate 2341.23
    isopentyl acetate 3552.82
    trichloroethylene 4606.96
    n-nonanol 699.67
    cyclohexanol 4556.0
    benzyl alcohol 776.79
    2-ethylhexanol 3265.39
    isooctanol 1035.13
    dipropyl ether 5397.25
    1,2-dichlorobenzene 935.23
    ethyl lactate 647.9
    propylene carbonate 2654.86
    n-methylformamide 4013.34
    2-pentanol 4847.98
    n-pentane 914.63
    1-propoxy-2-propanol 5262.05
    1-methoxy-2-propyl acetate 2087.7
    2-(2-methoxypropoxy) propanol 550.39
    mesitylene 325.92
    ε-caprolactone 4042.14
    p-cymene 500.71
    epichlorohydrin 4551.82
    1,1,1-trichloroethane 2880.38
    2-aminoethanol 2991.43
    morpholine-4-carbaldehyde 2357.47
    sulfolane 5440.82
    2,2,4-trimethylpentane 242.29
    2-methyltetrahydrofuran 7280.13
    n-hexyl acetate 1391.05
    isooctane 220.03
    2-(2-butoxyethoxy)ethanol 1261.66
    sec-butyl acetate 1137.07
    tert-butyl acetate 1740.33
    decalin 237.01
    glycerin 1453.45
    diglyme 2753.27
    acrylic acid 2305.71
    isopropyl myristate 359.63
    n-butyric acid 8844.24
    acetyl acetate 1336.71
    di(2-ethylhexyl) phthalate 275.71
    ethyl propionate 1643.38
    nitromethane 5102.89
    1,2-diethoxyethane 2617.42
    benzonitrile 1292.98
    trioctyl phosphate 307.97
    1-bromopropane 2737.22
    gamma-valerolactone 5792.4
    n-decanol 469.35
    triethyl phosphate 555.59
    4-methyl-2-pentanol 1576.71
    propionitrile 4204.97
    vinylene carbonate 1941.73
    1,1,2-trichlorotrifluoroethane 2586.79
    DMS 482.99
    cumene 211.37
    2-octanol 772.31
    2-hexanone 2677.6
    octyl acetate 480.81
    limonene 1233.68
    1,2-dimethoxyethane 4621.61
    ethyl orthosilicate 672.77
    tributyl phosphate 426.9
    diacetone alcohol 1885.42
    N,N-dimethylaniline 359.22
    acrylonitrile 3531.65
    aniline 1842.4
    1,3-propanediol 4887.67
    bromobenzene 1234.74
    dibromomethane 3469.1
    1,1,2,2-tetrachloroethane 3668.01
    2-methyl-cyclohexyl acetate 1109.44
    tetrabutyl urea 497.44
    diisobutyl methanol 1328.91
    2-phenylethanol 1229.55
    styrene 525.14
    dioctyl adipate 455.06
    dimethyl sulfate 639.87
    ethyl butyrate 3476.58
    methyl lactate 853.78
    butyl lactate 1005.88
    diethyl carbonate 1188.31
    propanediol butyl ether 1173.91
    triethyl orthoformate 1737.04
    p-tert-butyltoluene 485.07
    methyl 4-tert-butylbenzoate 439.25
    morpholine 6254.85
    tert-butylamine 4492.26
    n-dodecanol 339.08
    dimethoxymethane 2950.52
    ethylene carbonate 2079.78
    cyrene 469.55
    2-ethoxyethyl acetate 1162.49
    2-ethylhexyl acetate 2594.3
    1,2,4-trichlorobenzene 927.38
    4-methylpyridine 3102.79
    dibutyl ether 1845.68
    2,6-dimethyl-4-heptanol 1328.91
    DEF 3426.78
    dimethyl isosorbide 1078.79
    tetrachloroethylene 3279.9
    eugenol 446.76
    triacetin 618.3
    span 80 818.22
    1,4-butanediol 1273.72
    1,1-dichloroethane 3447.82
    2-methyl-1-pentanol 2124.04
    methyl formate 2326.3
    2-methyl-1-butanol 4547.99
    n-decane 165.11
    butyronitrile 6238.25
    3,7-dimethyl-1-octanol 965.93
    1-chlorooctane 553.8
    1-chlorotetradecane 156.2
    n-nonane 198.84
    undecane 102.61
    tert-butylcyclohexane 242.73
    cyclooctane 312.49
    cyclopentanol 5820.23
    tetrahydropyran 8044.44
    tert-amyl methyl ether 1786.79
    2,5,8-trioxanonane 1113.95
    1-hexene 2394.39
    2-isopropoxyethanol 1647.13
    2,2,2-trifluoroethanol 804.26
    methyl butyrate 2921.87

    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