Hexamethylenediamine

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  • Identifiers

    CAS number
    124-09-4

    Molecular formula
    C6H16N2

    SMILES
    C(CCCN)CCN

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fishy 89.37%
    Cheesy 70.31%
    Ripe 57.42%
    Animal 38.9%
    Odorless 27.41%
    Meaty 25.35%
    Savory 18.02%
    Pungent 15.52%
    Fresh 15.46%
    Oily 15.32%

    Scent© AI

    Odor threshold

    • 0.0041 mg/cu m
    • 0.0032 mg/cu m

  • Properties

    XLogP3-AA
    -0.2

    pKa est.
    6.5 (neutral)

    Molecular weight
    116.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • 108 °F (NTP, 1992)
    • 42 °C
    • 23-41 °C
    • 108 °F

    Boiling point

    • 401 °F at 760 mmHg (NTP, 1992)
    • 205 °C
    • 199-205 °C
    • 401 °F

    Flash point est.
    82.46 ˚C

    Flash point expt.

    • 178 °F (NTP, 1992)
    • 85 °C
    • 160 °F OC
    • 85 °C c.c.
    • 178 °F

    Solubility expt.

    • greater than or equal to 100 mg/mL at 73 °F (NTP, 1992)
    • FREELY SOL IN WATER; SLIGHTLY SOL IN ALC, BENZENE
    • SOMEWHAT SOL IN ETHER
    • Water solubility = 2,460,000 mg/l at 4.5 °C
    • Solubility in water: soluble

  • Synonyms

    • 1,6-Hexanediamine
    • 1,6-Diaminohexane
    • Hexamethylenediamine
    • 124-09-4
    • HEXANE-1,6-DIAMINE
    • HMDA
    • 1,6-Hexylenediamine
    • 1,6-Hexamethylenediamine
    • HEXAMETHYLENE DIAMINE
    • 1,6-Diamino-n-hexane
    • diaminohexane
    • Hexylenediamine
    • Hexane, 1,6-diamino-
    • NCI-C61405
    • HEX-NH2
    • NSC 9257
    • CCRIS 6224
    • H2N(CH2)6NH2
    • HSDB 189
    • UNII-ZRA5J5B2QW
    • EINECS 204-679-6
    • BRN 1098307
    • DTXSID5024922
    • CHEBI:39618
    • AI3-37283
    • NSC-9257
    • MFCD00008243
    • ZRA5J5B2QW
    • HEXANEMETHYLENEDIAMINE-
    • CHEMBL303004
    • DTXCID604922
    • 6-aminohexylamine
    • EC 204-679-6
    • 4-04-00-01320 (Beilstein Handbook Reference)
    • 1,6-Diaminohexane-d12 dihydrochloride
    • HEXAMETHYLENE-1,6-13C2-DIAMINE
    • 1,6-DIAMINO(HEXANE-2,2,5,5-D4)
    • 284474-80-2
    • hexamethyldiamine
    • 16D
    • CAS-124-09-4
    • UN1783
    • UN2280
    • 1,6diaminohexane
    • 1,6 diaminohexane
    • 1.6-diaminohexane
    • 1,6-diamino hexane
    • 1,6-hexamethylene diamine
    • Hexamethylenediamine, solid
    • Hexamethylenediamine, 98%
    • HMD(A)
    • WLN: Z6Z
    • Hexamethylene diamine, solid
    • NCIOpen2_002722
    • SCHEMBL15085
    • UN 1783 (Salt/Mix)
    • SCHEMBL7090279
    • 1,6-HEXANEDIAMINE [MI]
    • NSC9257
    • HEXAMETHYLENE DIAMINE [HSDB]
    • Tox21_202088
    • Tox21_303123
    • BBL027705
    • BDBM50323740
    • STL281875
    • AKOS000118875
    • DB03260
    • FH16093
    • UN 2280
    • NCGC00091677-01
    • NCGC00091677-02
    • NCGC00257104-01
    • NCGC00259637-01
    • BP-21415
    • VS-08580
    • Hexamethylenediamine, technical grade, 70%
    • D0095
    • NS00001449
    • EN300-19313
    • G77311
    • AG-690/11351767
    • AG-690/11351768
    • Hexamethylenediamine, SAJ first grade, >=98.0%
    • Q424936
    • Hexamethylenediamine, solid [UN2280] [Corrosive]
    • Hexane-1,6-diamine 100 microg/mL in Acetonitrile
    • Z104473514
    • InChI=1/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H
    • 204-679-6
    • vegetable-oil, N,N'-hexanediylbis-Amides1,6-Hexandiamine, vegetable oil fatty acids diamide vegetable-oil, n,n'-hexanediylbis-amide Amides,vegetable-oil,N,N'-hexanediylbis- 1,6-Hexandiamine,vegetable oil fatty acids diamide

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 496.83
    methanol 1577.69
    isopropanol 160.71
    water 55.91
    ethyl acetate 56.32
    n-propanol 373.43
    acetone 122.33
    n-butanol 321.83
    acetonitrile 82.37
    DMF 233.95
    toluene 17.76
    isobutanol 179.19
    1,4-dioxane 117.88
    methyl acetate 62.16
    THF 370.36
    2-butanone 77.77
    n-pentanol 105.75
    sec-butanol 119.91
    n-hexane 5.64
    ethylene glycol 401.26
    NMP 424.44
    cyclohexane 12.72
    DMSO 743.4
    n-butyl acetate 117.9
    n-octanol 27.57
    chloroform 171.45
    n-propyl acetate 52.43
    acetic acid 957.08
    dichloromethane 127.3
    cyclohexanone 254.85
    propylene glycol 316.02
    isopropyl acetate 23.25
    DMAc 98.67
    2-ethoxyethanol 184.77
    isopentanol 129.57
    n-heptane 14.6
    ethyl formate 186.45
    1,2-dichloroethane 74.04
    n-hexanol 163.44
    2-methoxyethanol 593.5
    isobutyl acetate 26.88
    tetrachloromethane 72.05
    n-pentyl acetate 40.41
    transcutol 180.42
    n-heptanol 68.4
    ethylbenzene 6.05
    MIBK 22.0
    2-propoxyethanol 301.43
    tert-butanol 120.07
    MTBE 24.42
    2-butoxyethanol 160.45
    propionic acid 519.96
    o-xylene 11.82
    formic acid 912.55
    diethyl ether 29.79
    m-xylene 10.2
    p-xylene 9.05
    chlorobenzene 53.34
    dimethyl carbonate 28.14
    n-octane 3.17
    formamide 625.94
    cyclopentanone 425.24
    2-pentanone 58.33
    anisole 18.8
    cyclopentyl methyl ether 104.18
    gamma-butyrolactone 621.8
    1-methoxy-2-propanol 220.13
    pyridine 164.12
    3-pentanone 40.18
    furfural 559.72
    n-dodecane 1.47
    diethylene glycol 278.02
    diisopropyl ether 5.49
    tert-amyl alcohol 89.66
    acetylacetone 55.39
    n-hexadecane 1.56
    acetophenone 31.96
    methyl propionate 62.03
    isopentyl acetate 67.09
    trichloroethylene 176.38
    n-nonanol 23.57
    cyclohexanol 168.67
    benzyl alcohol 58.69
    2-ethylhexanol 71.16
    isooctanol 39.25
    dipropyl ether 54.32
    1,2-dichlorobenzene 53.24
    ethyl lactate 55.95
    propylene carbonate 263.37
    n-methylformamide 499.44
    2-pentanol 74.31
    n-pentane 6.86
    1-propoxy-2-propanol 193.9
    1-methoxy-2-propyl acetate 71.34
    2-(2-methoxypropoxy) propanol 45.82
    mesitylene 6.55
    ε-caprolactone 227.05
    p-cymene 14.49
    epichlorohydrin 251.87
    1,1,1-trichloroethane 58.83
    2-aminoethanol 548.73
    morpholine-4-carbaldehyde 272.63
    sulfolane 781.45
    2,2,4-trimethylpentane 3.69
    2-methyltetrahydrofuran 161.78
    n-hexyl acetate 33.58
    isooctane 2.13
    2-(2-butoxyethoxy)ethanol 81.65
    sec-butyl acetate 18.84
    tert-butyl acetate 24.85
    decalin 3.75
    glycerin 470.96
    diglyme 169.63
    acrylic acid 530.54
    isopropyl myristate 10.07
    n-butyric acid 615.94
    acetyl acetate 44.82
    di(2-ethylhexyl) phthalate 26.42
    ethyl propionate 34.06
    nitromethane 529.18
    1,2-diethoxyethane 40.4
    benzonitrile 65.61
    trioctyl phosphate 23.01
    1-bromopropane 33.58
    gamma-valerolactone 471.92
    n-decanol 15.92
    triethyl phosphate 34.88
    4-methyl-2-pentanol 24.88
    propionitrile 95.27
    vinylene carbonate 230.4
    1,1,2-trichlorotrifluoroethane 456.03
    DMS 27.76
    cumene 5.61
    2-octanol 22.28
    2-hexanone 39.75
    octyl acetate 17.19
    limonene 25.86
    1,2-dimethoxyethane 123.7
    ethyl orthosilicate 32.97
    tributyl phosphate 28.51
    diacetone alcohol 66.02
    N,N-dimethylaniline 15.33
    acrylonitrile 152.06
    aniline 96.16
    1,3-propanediol 584.6
    bromobenzene 37.47
    dibromomethane 80.55
    1,1,2,2-tetrachloroethane 153.8
    2-methyl-cyclohexyl acetate 47.49
    tetrabutyl urea 30.57
    diisobutyl methanol 24.59
    2-phenylethanol 69.14
    styrene 9.9
    dioctyl adipate 21.81
    dimethyl sulfate 75.26
    ethyl butyrate 72.11
    methyl lactate 104.35
    butyl lactate 67.66
    diethyl carbonate 41.08
    propanediol butyl ether 96.31
    triethyl orthoformate 55.52
    p-tert-butyltoluene 15.03
    methyl 4-tert-butylbenzoate 39.46
    morpholine 209.19
    tert-butylamine 60.42
    n-dodecanol 11.32
    dimethoxymethane 80.83
    ethylene carbonate 178.82
    cyrene 86.7
    2-ethoxyethyl acetate 42.31
    2-ethylhexyl acetate 52.16
    1,2,4-trichlorobenzene 63.53
    4-methylpyridine 90.22
    dibutyl ether 19.06
    2,6-dimethyl-4-heptanol 24.59
    DEF 92.61
    dimethyl isosorbide 109.52
    tetrachloroethylene 189.48
    eugenol 54.65
    triacetin 39.33
    span 80 73.4
    1,4-butanediol 159.0
    1,1-dichloroethane 45.98
    2-methyl-1-pentanol 52.37
    methyl formate 288.45
    2-methyl-1-butanol 138.16
    n-decane 2.57
    butyronitrile 109.29
    3,7-dimethyl-1-octanol 23.73
    1-chlorooctane 9.6
    1-chlorotetradecane 3.58
    n-nonane 2.63
    undecane 1.84
    tert-butylcyclohexane 3.44
    cyclooctane 3.76
    cyclopentanol 333.44
    tetrahydropyran 121.37
    tert-amyl methyl ether 20.93
    2,5,8-trioxanonane 92.18
    1-hexene 13.88
    2-isopropoxyethanol 74.92
    2,2,2-trifluoroethanol 299.5
    methyl butyrate 65.74

    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