Diethylenetriamine

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  • Identifiers

    CAS number
    111-40-0

    Molecular formula
    C4H13N3

    SMILES
    C(CNCCN)N

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fishy 85.02%
    Cheesy 43.68%
    Ripe 40.65%
    Odorless 39.29%
    Animal 28.73%
    Meaty 17.27%
    Pungent 16.03%
    Savory 15.94%
    Oily 14.0%
    Cooked 12.41%

     

    Flavor
    Fishy 33.1%
    Ammoniacal 31.65%
    Odorless 28.97%
    Sulfurous 26.16%
    Meaty 25.86%
    Sulfury 23.42%
    Glue 19.37%
    Bloody 18.87%
    Rotten 18.77%
    Skunky 18.75%

     

    Odor impact est.
    High

    Odor threshold

    • 10 ppm

  • Properties

    XLogP3-AA
    -2.1

    pKa est.
    5.42 (weak acid)

    Molecular weight
    103.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • -38 °F (NTP, 1992)
    • -39 °C
    • -38 °F

    Boiling point

    • 405 °F at 760 mmHg (NTP, 1992)
    • 207 °C @ 760 MM HG
    • 207.00 °C. @ 760.00 mm Hg
    • 207 °C
    • 405 °F

    Flash point

    • 90.63 ˚C est.
    • 215 °F (NTP, 1992)
    • 101 °C
    • 101.7 °C (Open cup)
    • 97 °C c.c., 102 °C o.c.
    • 208 °F

    Solubility expt.

    • Very soluble (NTP, 1992)
    • SOL IN ALL PROP IN WATER & ALC; INSOL IN ETHER; SOL IN PETROLEUM ETHER
    • SOL IN HYDROCARBONS
    • miscible with water, methanol, acetone, ether, and benzene, but insoluble in heptane
    • water solubility = 1X10+6 mg/l
    • 1000 mg/mL
    • Solubility in water: miscible
    • Miscible

  • Synonyms

    • DIETHYLENETRIAMINE
    • 111-40-0
    • Bis(2-aminoethyl)amine
    • 2,2'-Diaminodiethylamine
    • Diethylene triamine
    • 1,4,7-Triazaheptane
    • Barsamide 115
    • Epicure T
    • Ancamine DETA
    • 2,2'-Iminodiethylamine
    • Aminoethylethandiamine
    • N,N-Bis(2-aminoethyl)amine
    • 3-Azapentane-1,5-diamine
    • 1,2-Ethanediamine, N-(2-aminoethyl)-
    • Imino-bis-ethylamine
    • ChS-P 1
    • 1,5-Diamino-3-azapentane
    • N-(2-aminoethyl)ethane-1,2-diamine
    • 2,2'-Iminobis(ethanamine)
    • N-(2-Aminoethyl)-1,2-ethanediamine
    • Bis(beta-aminoethyl)amine
    • dien
    • 2-(2-Aminoethylamino)ethylamine
    • Epon 3223
    • 2,2'-Iminodi(ethylamine)
    • Ethylamine, 2,2'-iminobis-
    • Diethylamine, 2,2'-diamino-
    • DEH 20
    • N'-(2-aminoethyl)ethane-1,2-diamine
    • NSC 446
    • CCRIS 4794
    • HSDB 525
    • N-(2-Aminoethyl)ethylenediamine
    • (Aminoethyl)ethanediamine
    • diethylentriamine
    • 2,2'-Iminobisethylamine
    • EINECS 203-865-4
    • UNII-03K6SX4V2J
    • H 9506
    • N1-(2-aminoethyl)ethane-1,2-diamine
    • Texacure EA-20
    • BRN 0605314
    • 03K6SX4V2J
    • DTXSID2025050
    • CHEBI:30629
    • NSC-446
    • Ethylenediamine, N-(2-aminoethyl)-
    • Bis[.beta.-aminoethyl]amine
    • CHEMBL303429
    • DTXCID005050
    • EC 203-865-4
    • 4-04-00-01238 (Beilstein Handbook Reference)
    • NCGC00166036-01
    • 1,2-Ethanediamine, N1-(2-aminoethyl)-
    • CAS-111-40-0
    • ethane, 1-amino-2-(2-aminoethyl)amino-
    • UN2079
    • bis(2-amino-ethyl)-amine
    • di-ethylenetriamine
    • N-(2-Aminoethyl)1,2-ethanediamine
    • di(2-aminoethyl)amine
    • 2,2-Iminodiethylamine
    • Diethylenetriamine [UN2079] [Corrosive]
    • 1,4,7-triaza-heptane
    • Ethylamine,2'-iminobis-
    • Diethylamine,2'-diamino-
    • bis-(2-aminoethyl) amine
    • DEH 52 (Salt/Mix)
    • DEH 58 (Salt/Mix)
    • Bis[beta -aminoethyl]amine
    • 2,2'-diamino-diethylamine
    • 2,2'-Iminobis-Ethylamine
    • 3-aza-1,5-pentanediamine
    • 1, N-(2-aminoethyl)-
    • 2, 2'-Diaminodiethylamine
    • 3-Aza-1,5-diaminopentane
    • bis-(2-amino-ethyl)-amine
    • WLN: Z2M2Z
    • SCHEMBL15381
    • beta,beta'-Diaminodiethylamine
    • NSC446
    • beta ,beta '-diaminodiethylamine
    • DIETHYLENETRIAMINE [HSDB]
    • n-(2-aminoethyl)-ethylenediamine
    • .beta.,.beta.'-Diaminodiethylamine
    • Tox21_113096
    • Tox21_201453
    • Tox21_303114
    • BBL005239
    • BDBM50323742
    • D.E.H. 20
    • MFCD00008171
    • STK802352
    • AKOS000119987
    • n1-(2-aminoethyl)-1,2-ethanediamine
    • FD34640
    • UN 2079
    • NCGC00166036-02
    • NCGC00257198-01
    • NCGC00259004-01
    • BP-13436
    • Diethylenetriamine, ReagentPlus(R), 99%
    • VS-01562
    • DB-040971
    • Diethylenetriamine [UN2079] [Corrosive]
    • N-(2-Aminoethyl)-1,2-ethanediamine, 9CI
    • D0493
    • N*1*-(2-Amino-ethyl)-ethane-1,2-diamine
    • NS00003954
    • EN300-19759
    • Diethylenetriamine, SAJ first grade, >=98.0%
    • Q416728
    • F2191-0291
    • Z104475186
    • InChI=1/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H
    • ETHYLAMINE, 2,2'-IMINOBIS-ETHYLENEDIAMINE, N-(2-AMINOETHYL)-
    • 203-865-4
    • StratoSpheres(TM) PL-Deta (Diethylenetriamine) resin, 50-100 mesh, extent of labeling: 6.0 mmol/g loading, 1 % cross-linked

  • Applications

    Diethylenetriamine (CAS 111-40-0) is a versatile polyamine primarily used as a curing agent for epoxy resins in coatings and composites, providing crosslinking and improving adhesion and chemical resistance. It also serves as a reactive intermediate and building block for polyurethane and polyurea systems, as well as polyamide resins and other specialty polymers. The compound is widely used as a feedstock for the synthesis of surfactants and detergent additives, and as a component in corrosion inhibitors and water-treatment formulations. Additionally, it functions as a precursor for amine-based chelating agents and other industrial intermediates used in dyes, pigments, and related chemical syntheses. Applications are typically formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 78.66
    methanol 291.21
    isopropanol 18.75
    water 531.84
    ethyl acetate 5.68
    n-propanol 42.91
    acetone 8.2
    n-butanol 25.56
    acetonitrile 12.01
    DMF 83.02
    toluene 1.08
    isobutanol 17.15
    1,4-dioxane 19.12
    methyl acetate 7.34
    THF 37.82
    2-butanone 5.85
    n-pentanol 10.57
    sec-butanol 12.4
    n-hexane 0.34
    ethylene glycol 244.59
    NMP 167.32
    cyclohexane 1.17
    DMSO 175.39
    n-butyl acetate 7.86
    n-octanol 3.36
    chloroform 14.46
    n-propyl acetate 3.88
    acetic acid 359.86
    dichloromethane 16.14
    cyclohexanone 20.08
    propylene glycol 122.81
    isopropyl acetate 2.22
    DMAc 44.74
    2-ethoxyethanol 43.46
    isopentanol 8.35
    n-heptane 1.17
    ethyl formate 25.12
    1,2-dichloroethane 7.34
    n-hexanol 13.44
    2-methoxyethanol 137.57
    isobutyl acetate 2.04
    tetrachloromethane 5.0
    n-pentyl acetate 3.76
    transcutol 28.27
    n-heptanol 7.18
    ethylbenzene 0.42
    MIBK 1.22
    2-propoxyethanol 49.26
    tert-butanol 8.63
    MTBE 1.51
    2-butoxyethanol 26.83
    propionic acid 100.95
    o-xylene 0.98
    formic acid 798.12
    diethyl ether 2.73
    m-xylene 0.69
    p-xylene 0.62
    chlorobenzene 3.74
    dimethyl carbonate 5.08
    n-octane 0.35
    formamide 346.3
    cyclopentanone 38.31
    2-pentanone 3.62
    anisole 1.54
    cyclopentyl methyl ether 8.32
    gamma-butyrolactone 93.42
    1-methoxy-2-propanol 43.74
    pyridine 20.18
    3-pentanone 3.21
    furfural 117.71
    n-dodecane 0.18
    diethylene glycol 87.3
    diisopropyl ether 0.47
    tert-amyl alcohol 7.46
    acetylacetone 4.57
    n-hexadecane 0.19
    acetophenone 3.08
    methyl propionate 8.18
    isopentyl acetate 4.04
    trichloroethylene 15.43
    n-nonanol 2.92
    cyclohexanol 17.56
    benzyl alcohol 7.71
    2-ethylhexanol 4.99
    isooctanol 3.78
    dipropyl ether 4.06
    1,2-dichlorobenzene 4.28
    ethyl lactate 10.82
    propylene carbonate 37.19
    n-methylformamide 138.61
    2-pentanol 5.69
    n-pentane 0.58
    1-propoxy-2-propanol 22.98
    1-methoxy-2-propyl acetate 8.08
    2-(2-methoxypropoxy) propanol 8.95
    mesitylene 0.45
    ε-caprolactone 29.13
    p-cymene 1.31
    epichlorohydrin 33.08
    1,1,1-trichloroethane 3.0
    2-aminoethanol 195.72
    morpholine-4-carbaldehyde 105.44
    sulfolane 180.99
    2,2,4-trimethylpentane 0.26
    2-methyltetrahydrofuran 13.12
    n-hexyl acetate 3.38
    isooctane 0.12
    2-(2-butoxyethoxy)ethanol 15.11
    sec-butyl acetate 1.47
    tert-butyl acetate 1.6
    decalin 0.32
    glycerin 272.96
    diglyme 25.87
    acrylic acid 156.56
    isopropyl myristate 1.05
    n-butyric acid 76.31
    acetyl acetate 5.41
    di(2-ethylhexyl) phthalate 4.29
    ethyl propionate 3.11
    nitromethane 132.75
    1,2-diethoxyethane 3.83
    benzonitrile 7.14
    trioctyl phosphate 3.43
    1-bromopropane 2.71
    gamma-valerolactone 79.29
    n-decanol 1.95
    triethyl phosphate 4.62
    4-methyl-2-pentanol 1.71
    propionitrile 9.42
    vinylene carbonate 42.33
    1,1,2-trichlorotrifluoroethane 133.5
    DMS 4.73
    cumene 0.44
    2-octanol 2.3
    2-hexanone 2.19
    octyl acetate 2.08
    limonene 2.11
    1,2-dimethoxyethane 18.36
    ethyl orthosilicate 3.99
    tributyl phosphate 3.83
    diacetone alcohol 5.97
    N,N-dimethylaniline 1.7
    acrylonitrile 20.11
    aniline 9.38
    1,3-propanediol 137.19
    bromobenzene 2.2
    dibromomethane 7.77
    1,1,2,2-tetrachloroethane 12.92
    2-methyl-cyclohexyl acetate 4.53
    tetrabutyl urea 4.93
    diisobutyl methanol 1.61
    2-phenylethanol 8.71
    styrene 0.66
    dioctyl adipate 2.78
    dimethyl sulfate 18.32
    ethyl butyrate 5.25
    methyl lactate 27.66
    butyl lactate 10.78
    diethyl carbonate 3.81
    propanediol butyl ether 22.49
    triethyl orthoformate 5.21
    p-tert-butyltoluene 1.17
    methyl 4-tert-butylbenzoate 5.74
    morpholine 39.16
    tert-butylamine 3.5
    n-dodecanol 1.43
    dimethoxymethane 14.98
    ethylene carbonate 29.2
    cyrene 27.64
    2-ethoxyethyl acetate 5.47
    2-ethylhexyl acetate 3.53
    1,2,4-trichlorobenzene 6.09
    4-methylpyridine 8.44
    dibutyl ether 1.48
    2,6-dimethyl-4-heptanol 1.61
    DEF 14.17
    dimethyl isosorbide 19.61
    tetrachloroethylene 16.47
    eugenol 11.0
    triacetin 6.22
    span 80 16.55
    1,4-butanediol 48.84
    1,1-dichloroethane 3.27
    2-methyl-1-pentanol 4.6
    methyl formate 67.94
    2-methyl-1-butanol 11.23
    n-decane 0.3
    butyronitrile 8.73
    3,7-dimethyl-1-octanol 1.87
    1-chlorooctane 0.88
    1-chlorotetradecane 0.38
    n-nonane 0.3
    undecane 0.22
    tert-butylcyclohexane 0.22
    cyclooctane 0.37
    cyclopentanol 38.48
    tetrahydropyran 10.27
    tert-amyl methyl ether 1.57
    2,5,8-trioxanonane 16.98
    1-hexene 0.82
    2-isopropoxyethanol 13.87
    2,2,2-trifluoroethanol 145.35
    methyl butyrate 5.76

    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