1,4-Benzenedimethanamine

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  • Identifiers

    CAS number
    539-48-0

    Molecular formula
    C8H12N2

    SMILES
    C1=CC(=CC=C1CN)CN

    Safety labels

    Corrosive
    Corrosive

  • Odor profile

    Fishy 70.16%
    Cheesy 54.1%
    Ripe 42.99%
    Animal 33.85%
    Meaty 29.82%
    Burnt 24.58%
    Odorless 23.04%
    Sulfurous 22.0%
    Smoky 21.54%
    Savory 20.71%

    Scent© AI

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    4.48 (weak acid)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Melting point expt.

    • 143 °F

    Boiling point

    • 446 °F

    Flash point est.
    124.23 ˚C

    Flash point expt.

    • 81 °F

  • Synonyms

    • p-Xylylenediamine
    • 539-48-0
    • 1,4-phenylenedimethanamine
    • 1,4-Benzenedimethanamine
    • 1,4-Bis(aminomethyl)benzene
    • 1,4-Xylylenediamine
    • [4-(aminomethyl)phenyl]methanamine
    • p-Xylylendiamine
    • p-Phenylenebis(methylamine)
    • 4-Aminomethylbenzylamine
    • p-Xylylendiamine [Czech]
    • P-Xylenediamine
    • Methylamine, p-phenylenebis-
    • p-Xylene-alpha,alpha'-diamine
    • 1,4-Bis-aminomethylbenzen
    • 1,4-Xylenediamine
    • CCRIS 6170
    • FJD90IO4NH
    • 4-(Aminomethyl)benzylamine
    • 1,4-Bis-aminomethylbenzen [Czech]
    • EINECS 208-719-3
    • BRN 2206190
    • SHOAMINE P
    • MFCD00009821
    • XYLENEDIAMINE, P-
    • EUREDUR 14
    • DTXSID4024567
    • 4-13-00-00296 (Beilstein Handbook Reference)
    • .alpha.,.alpha.'-Diamino-p-xylene
    • para-xylylenediamine
    • UNII-FJD90IO4NH
    • pXylylendiamine
    • pXylylenediamine
    • p-Xylene Diamine
    • paraxylylenediamine
    • p-xylylene diamine
    • paraxylylene diamine
    • 4aminomethylbenzylamine
    • 1,4benzenedimethanamine
    • 1,4Bisaminomethylbenzen
    • 4-aminomethyl benzylamine
    • 4-aminomethyl-benzylamine
    • p-Xylylenediamine, 99%
    • 1,4-bisaminomethylbenzene
    • Methylamine, pphenylenebis
    • pPhenylenebis(methylamine)
    • pXylenealpha,alpha'diamine
    • 1,4Bis(aminomethyl)benzene
    • SCHEMBL15828
    • alpha,alpha'-Diamino-p-xylene
    • CHEMBL218733
    • DTXCID004567
    • ISKQADXMHQSTHK-UHFFFAOYSA-
    • p-Xylene-.alpha.,.alpha.'-diamine
    • AKOS000120368
    • CS-W016524
    • FX62958
    • AS-10542
    • DB-052436
    • D1018
    • NS00020835
    • EN300-21376
    • D84343
    • Q27278025
    • 4-(Aminomethyl)benzylamine;a,a'-Diamino-p-xylene;p-Xylene Diamine;PXDA
    • InChI=1/C8H12N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6,9-10H2
    • 208-719-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 72.76
    methanol 176.58
    isopropanol 26.57
    water 26.24
    ethyl acetate 34.53
    n-propanol 62.72
    acetone 57.79
    n-butanol 45.02
    acetonitrile 66.58
    DMF 169.19
    toluene 6.41
    isobutanol 27.17
    1,4-dioxane 79.69
    methyl acetate 41.79
    THF 147.33
    2-butanone 40.68
    n-pentanol 16.9
    sec-butanol 17.5
    n-hexane 0.66
    ethylene glycol 67.92
    NMP 296.59
    cyclohexane 2.25
    DMSO 541.76
    n-butyl acetate 29.68
    n-octanol 5.73
    chloroform 86.12
    n-propyl acetate 17.1
    acetic acid 319.7
    dichloromethane 99.54
    cyclohexanone 100.3
    propylene glycol 39.17
    isopropyl acetate 10.6
    DMAc 108.56
    2-ethoxyethanol 62.3
    isopentanol 22.72
    n-heptane 1.91
    ethyl formate 102.06
    1,2-dichloroethane 61.9
    n-hexanol 27.48
    2-methoxyethanol 190.3
    isobutyl acetate 7.33
    tetrachloromethane 29.72
    n-pentyl acetate 12.74
    transcutol 74.28
    n-heptanol 14.62
    ethylbenzene 2.21
    MIBK 8.12
    2-propoxyethanol 77.58
    tert-butanol 25.75
    MTBE 8.51
    2-butoxyethanol 43.92
    propionic acid 141.1
    o-xylene 5.77
    formic acid 395.75
    diethyl ether 11.09
    m-xylene 4.55
    p-xylene 3.49
    chlorobenzene 25.23
    dimethyl carbonate 31.56
    n-octane 0.63
    formamide 499.66
    cyclopentanone 227.25
    2-pentanone 25.06
    anisole 9.78
    cyclopentyl methyl ether 37.11
    gamma-butyrolactone 360.27
    1-methoxy-2-propanol 63.49
    pyridine 98.54
    3-pentanone 22.73
    furfural 322.55
    n-dodecane 0.34
    diethylene glycol 85.39
    diisopropyl ether 2.11
    tert-amyl alcohol 16.21
    acetylacetone 34.08
    n-hexadecane 0.37
    acetophenone 17.2
    methyl propionate 41.72
    isopentyl acetate 18.26
    trichloroethylene 133.31
    n-nonanol 5.49
    cyclohexanol 26.05
    benzyl alcohol 20.39
    2-ethylhexanol 11.97
    isooctanol 9.43
    dipropyl ether 13.05
    1,2-dichlorobenzene 29.3
    ethyl lactate 19.72
    propylene carbonate 139.02
    n-methylformamide 325.03
    2-pentanol 11.36
    n-pentane 1.0
    1-propoxy-2-propanol 39.76
    1-methoxy-2-propyl acetate 32.83
    2-(2-methoxypropoxy) propanol 17.3
    mesitylene 3.14
    ε-caprolactone 92.66
    p-cymene 5.1
    epichlorohydrin 187.17
    1,1,1-trichloroethane 42.19
    2-aminoethanol 93.19
    morpholine-4-carbaldehyde 172.37
    sulfolane 479.68
    2,2,4-trimethylpentane 0.71
    2-methyltetrahydrofuran 64.35
    n-hexyl acetate 9.94
    isooctane 0.39
    2-(2-butoxyethoxy)ethanol 29.87
    sec-butyl acetate 5.76
    tert-butyl acetate 11.19
    decalin 0.84
    glycerin 104.56
    diglyme 74.63
    acrylic acid 183.86
    isopropyl myristate 3.2
    n-butyric acid 162.73
    acetyl acetate 27.8
    di(2-ethylhexyl) phthalate 8.78
    ethyl propionate 13.46
    nitromethane 494.58
    1,2-diethoxyethane 16.37
    benzonitrile 29.68
    trioctyl phosphate 6.78
    1-bromopropane 13.31
    gamma-valerolactone 278.83
    n-decanol 4.04
    triethyl phosphate 14.57
    4-methyl-2-pentanol 4.87
    propionitrile 43.19
    vinylene carbonate 128.75
    1,1,2-trichlorotrifluoroethane 217.96
    DMS 15.83
    cumene 2.35
    2-octanol 4.81
    2-hexanone 11.45
    octyl acetate 5.59
    limonene 7.54
    1,2-dimethoxyethane 64.45
    ethyl orthosilicate 13.49
    tributyl phosphate 7.88
    diacetone alcohol 25.29
    N,N-dimethylaniline 7.89
    acrylonitrile 86.91
    aniline 35.44
    1,3-propanediol 118.3
    bromobenzene 18.24
    dibromomethane 45.22
    1,1,2,2-tetrachloroethane 90.42
    2-methyl-cyclohexyl acetate 14.78
    tetrabutyl urea 9.48
    diisobutyl methanol 5.62
    2-phenylethanol 25.35
    styrene 3.15
    dioctyl adipate 7.17
    dimethyl sulfate 85.2
    ethyl butyrate 20.68
    methyl lactate 48.14
    butyl lactate 18.8
    diethyl carbonate 15.86
    propanediol butyl ether 21.6
    triethyl orthoformate 18.05
    p-tert-butyltoluene 5.2
    methyl 4-tert-butylbenzoate 20.14
    morpholine 107.91
    tert-butylamine 11.09
    n-dodecanol 3.06
    dimethoxymethane 57.67
    ethylene carbonate 103.23
    cyrene 38.68
    2-ethoxyethyl acetate 22.36
    2-ethylhexyl acetate 14.11
    1,2,4-trichlorobenzene 37.12
    4-methylpyridine 47.33
    dibutyl ether 4.26
    2,6-dimethyl-4-heptanol 5.62
    DEF 51.73
    dimethyl isosorbide 51.09
    tetrachloroethylene 92.18
    eugenol 22.16
    triacetin 16.71
    span 80 19.58
    1,4-butanediol 28.94
    1,1-dichloroethane 25.62
    2-methyl-1-pentanol 10.7
    methyl formate 215.62
    2-methyl-1-butanol 23.36
    n-decane 0.56
    butyronitrile 34.84
    3,7-dimethyl-1-octanol 5.04
    1-chlorooctane 2.47
    1-chlorotetradecane 0.99
    n-nonane 0.51
    undecane 0.42
    tert-butylcyclohexane 0.72
    cyclooctane 0.79
    cyclopentanol 54.81
    tetrahydropyran 43.52
    tert-amyl methyl ether 6.94
    2,5,8-trioxanonane 42.53
    1-hexene 1.92
    2-isopropoxyethanol 22.07
    2,2,2-trifluoroethanol 172.52
    methyl butyrate 25.62

    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