Pentaethylenehexamine

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  • Identifiers

    CAS number
    4067-16-7

    Molecular formula
    C10H28N6

    SMILES
    C(CNCCNCCNCCNCCN)N

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fishy 79.49%
    Odorless 39.36%
    Ripe 32.03%
    Cheesy 30.42%
    Animal 26.01%
    Savory 18.44%
    Meaty 17.26%
    Pungent 14.46%
    Oily 14.35%
    Alcoholic 14.04%

    Scent© AI

  • Properties

    XLogP3-AA
    -3.4

    pKa est.
    6.53 (neutral)

    Molecular weight
    232.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point

    • 662 to 734 °F at 760 mmHg (USCG, 1999)

    Flash point est.
    206.97 ˚C

    Flash point expt.

    • greater than 200 °F (NTP, 1992)

    Solubility expt.

    • greater than or equal to 100 mg/mL at 70 °F (NTP, 1992)

  • Synonyms

    • PENTAETHYLENEHEXAMINE
    • 4067-16-7
    • 3,6,9,12-Tetraazatetradecane-1,14-diamine
    • PEHA
    • 3,6,9,12-Tetraazatetradecamethylenediamine
    • CCRIS 6264
    • UNII-9K5VZU43LE
    • Pentaethylenexamine
    • EINECS 223-775-9
    • 9K5VZU43LE
    • BRN 1768042
    • N1,N1'-(Ethane-1,2-diyl)bis(N2-(2-aminoethyl)ethane-1,2-diamine)
    • N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
    • DTXSID7025843
    • EC 223-775-9
    • 4-04-00-01245 (Beilstein Handbook Reference)
    • 1,4,7,10,13,16-hexaazahexadecane
    • 1,2-BIS((2-((2-AMINOETHYL)AMINO)ETHYL)AMINO)ETHANE
    • PENTAEN
    • pentaethylene hexamine
    • LEVEPOX HARDENER T3
    • SCHEMBL26707
    • CHEMBL65184
    • DTXCID505843
    • Pentaethylenehexamine, tech grade
    • STR02872
    • MFCD00008167
    • pentaethylenehexamine hexahydrochloride
    • Pentaethylenehexamine, technical grade
    • AKOS024462522
    • DB-026856
    • CS-0204472
    • NS00007677
    • P0622
    • F87473
    • Q27272660

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.62
    methanol 94.61
    isopropanol 3.42
    water 733.96
    ethyl acetate 2.09
    n-propanol 11.29
    acetone 1.6
    n-butanol 6.04
    acetonitrile 1.86
    DMF 40.45
    toluene 0.55
    isobutanol 4.57
    1,4-dioxane 4.75
    methyl acetate 2.16
    THF 10.43
    2-butanone 1.94
    n-pentanol 3.19
    sec-butanol 3.15
    n-hexane 0.23
    ethylene glycol 100.08
    NMP 123.22
    cyclohexane 0.7
    DMSO 136.26
    n-butyl acetate 2.46
    n-octanol 1.33
    chloroform 5.92
    n-propyl acetate 1.86
    acetic acid 135.47
    dichloromethane 5.92
    cyclohexanone 8.85
    propylene glycol 44.35
    isopropyl acetate 1.06
    DMAc 36.08
    2-ethoxyethanol 22.93
    isopentanol 2.52
    n-heptane 0.61
    ethyl formate 9.28
    1,2-dichloroethane 3.7
    n-hexanol 3.47
    2-methoxyethanol 65.8
    isobutyl acetate 0.96
    tetrachloromethane 2.91
    n-pentyl acetate 1.66
    transcutol 20.92
    n-heptanol 2.74
    ethylbenzene 0.27
    MIBK 0.56
    2-propoxyethanol 20.56
    tert-butanol 1.88
    MTBE 0.45
    2-butoxyethanol 13.87
    propionic acid 40.91
    o-xylene 0.69
    formic acid 619.73
    diethyl ether 0.83
    m-xylene 0.43
    p-xylene 0.37
    chlorobenzene 1.28
    dimethyl carbonate 3.67
    n-octane 0.22
    formamide 360.16
    cyclopentanone 15.19
    2-pentanone 1.34
    anisole 0.64
    cyclopentyl methyl ether 4.12
    gamma-butyrolactone 38.46
    1-methoxy-2-propanol 20.21
    pyridine 7.05
    3-pentanone 1.75
    furfural 58.17
    n-dodecane 0.1
    diethylene glycol 47.89
    diisopropyl ether 0.23
    tert-amyl alcohol 2.43
    acetylacetone 2.32
    n-hexadecane 0.1
    acetophenone 1.94
    methyl propionate 4.09
    isopentyl acetate 1.68
    trichloroethylene 7.37
    n-nonanol 1.32
    cyclohexanol 6.88
    benzyl alcohol 3.77
    2-ethylhexanol 1.86
    isooctanol 1.69
    dipropyl ether 1.67
    1,2-dichlorobenzene 1.83
    ethyl lactate 7.61
    propylene carbonate 16.81
    n-methylformamide 69.67
    2-pentanol 1.73
    n-pentane 0.27
    1-propoxy-2-propanol 10.82
    1-methoxy-2-propyl acetate 4.41
    2-(2-methoxypropoxy) propanol 5.99
    mesitylene 0.33
    ε-caprolactone 13.8
    p-cymene 0.7
    epichlorohydrin 13.51
    1,1,1-trichloroethane 1.42
    2-aminoethanol 90.06
    morpholine-4-carbaldehyde 59.29
    sulfolane 135.94
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 4.22
    n-hexyl acetate 1.4
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 10.15
    sec-butyl acetate 0.9
    tert-butyl acetate 0.95
    decalin 0.21
    glycerin 167.31
    diglyme 16.53
    acrylic acid 74.92
    isopropyl myristate 0.47
    n-butyric acid 29.72
    acetyl acetate 2.68
    di(2-ethylhexyl) phthalate 1.91
    ethyl propionate 1.93
    nitromethane 52.26
    1,2-diethoxyethane 1.78
    benzonitrile 2.26
    trioctyl phosphate 1.62
    1-bromopropane 1.13
    gamma-valerolactone 39.15
    n-decanol 0.9
    triethyl phosphate 3.58
    4-methyl-2-pentanol 0.7
    propionitrile 2.24
    vinylene carbonate 19.06
    1,1,2-trichlorotrifluoroethane 93.69
    DMS 2.92
    cumene 0.3
    2-octanol 0.93
    2-hexanone 0.95
    octyl acetate 0.88
    limonene 0.96
    1,2-dimethoxyethane 8.15
    ethyl orthosilicate 3.15
    tributyl phosphate 2.14
    diacetone alcohol 3.83
    N,N-dimethylaniline 0.96
    acrylonitrile 5.16
    aniline 4.27
    1,3-propanediol 56.61
    bromobenzene 0.84
    dibromomethane 3.16
    1,1,2,2-tetrachloroethane 7.86
    2-methyl-cyclohexyl acetate 2.19
    tetrabutyl urea 2.7
    diisobutyl methanol 0.71
    2-phenylethanol 3.53
    styrene 0.34
    dioctyl adipate 1.32
    dimethyl sulfate 18.91
    ethyl butyrate 2.71
    methyl lactate 18.99
    butyl lactate 6.84
    diethyl carbonate 2.26
    propanediol butyl ether 12.51
    triethyl orthoformate 3.41
    p-tert-butyltoluene 0.68
    methyl 4-tert-butylbenzoate 3.83
    morpholine 12.98
    tert-butylamine 0.97
    n-dodecanol 0.65
    dimethoxymethane 7.51
    ethylene carbonate 13.31
    cyrene 18.23
    2-ethoxyethyl acetate 2.91
    2-ethylhexyl acetate 1.49
    1,2,4-trichlorobenzene 2.77
    4-methylpyridine 2.95
    dibutyl ether 0.66
    2,6-dimethyl-4-heptanol 0.71
    DEF 8.73
    dimethyl isosorbide 11.84
    tetrachloroethylene 10.97
    eugenol 6.8
    triacetin 4.13
    span 80 8.15
    1,4-butanediol 20.53
    1,1-dichloroethane 1.1
    2-methyl-1-pentanol 1.86
    methyl formate 31.93
    2-methyl-1-butanol 3.69
    n-decane 0.17
    butyronitrile 1.76
    3,7-dimethyl-1-octanol 0.84
    1-chlorooctane 0.46
    1-chlorotetradecane 0.19
    n-nonane 0.17
    undecane 0.12
    tert-butylcyclohexane 0.14
    cyclooctane 0.3
    cyclopentanol 13.07
    tetrahydropyran 3.02
    tert-amyl methyl ether 0.76
    2,5,8-trioxanonane 10.6
    1-hexene 0.38
    2-isopropoxyethanol 7.12
    2,2,2-trifluoroethanol 113.12
    methyl butyrate 3.29

    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