N,N'-bis(1,4-dimethylpentyl)-p-phenylenediamine

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  • Identifiers

    CAS number
    3081-14-9

    Molecular formula
    C20H36N2

    SMILES
    CC(C)CCC(C)NC1=CC=C(C=C1)NC(C)CCC(C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fishy 36.52%
    Animal 35.27%
    Cooling 33.25%
    Savory 30.73%
    Cheesy 30.01%
    Mint 29.4%
    Meaty 28.57%
    Ripe 27.19%
    Odorless 24.57%
    Burnt 24.11%

     

    Flavor
    Mild 22.9%
    Delicate 20.46%
    Yeasty 20.18%
    Skunky 19.92%
    Glue 19.85%
    Bloody 19.8%
    Creosote 19.53%
    Bland 19.41%
    Diterpene 19.16%
    Oriental 19.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.8

    pKa est.
    7.58 (neutral)

    Molecular weight
    304.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • -33 °F (NTP, 1992)

    Boiling point

    • 459 °F at 13.5 mmHg (NTP, 1992)

    Flash point

    • 200.52 ˚C est.
    • greater than 200 °F (NTP, 1992)

    Solubility expt.

    • less than 1 mg/mL at 75 °F (NTP, 1992)

  • Synonyms

    • 3081-14-9
    • N,N'-BIS(1,4-DIMETHYLPENTYL)-P-PHENYLENEDIAMINE
    • Eastozone
    • Eastozone 33
    • Tenamene 4
    • Elastozone 33
    • Flexzone 4L
    • 1-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine
    • Santoflex 77
    • Antioxidant 4030
    • 77PPD
    • 1,4-Benzenediamine, N,N'-bis(1,4-dimethylpentyl)-
    • CCRIS 4750
    • UOP 788
    • NCI-C56337
    • UNII-8VAF71SNQ5
    • EINECS 221-375-9
    • 8VAF71SNQ5
    • BRN 2739028
    • p-Phenylenediamine, N,N'-bis(1,4-dimethylpentyl)-
    • 1,4-Benzenediamine, N1,N4-bis(1,4-dimethylpentyl)-
    • N,N-Di(1,4-dimethylpentyl)-p-phenylenediamine
    • N,N'-Bis-(1,4 dimethylpentyl)-p-phenylenediamine
    • DTXSID2024618
    • EC 221-375-9
    • N,N'-Bis(1,4-dimethylpentyl)-1,4-benzenediamine
    • N,N'-Bis(1,4-dimethylpentyl)-4-phenylenediamine
    • N,N'-Di(1,4-dimethylpentyl)-p-phenylenediamine
    • N,N'-bis(1,4-dimethylpentyl)-1,4-phenylenediamine
    • N,N'-BIS(2-(5-METHYLHEXYL))-P-PHENYLENEDIAMINE
    • humax
    • Tenamene
    • DHPPD
    • NAUGALUBE 443
    • VULKANOX 4030
    • SCHEMBL39071
    • DTXCID104618
    • AKOS033593546
    • NS00003878
    • EN300-171137
    • G38130
    • N1,N4-bis(5-methylhexan-2-yl)benzene-1,4-diamine
    • Q27271074
    • Z1751959908
    • N,N'-BIS(1,4-DIMETHYLPENTYL) 1,4-BENZENEDIAMINE
    • N,N'-Bis(1,4-dimethylpentyl)-p-phenylenediamine (77PD)
    • 221-375-9

  • Applications

    N,N'-bis(1,4-dimethylpentyl)-p-phenylenediamine, CAS 3081-14-9, is primarily used as an antioxidant and stabilizer for polymers and synthetic rubbers, improving thermal and oxidative resistance in polyolefins and elastomeric materials used in tires and other rubber products. It is also employed as a stabilizer in coatings and inks to enhance weathering and colorfastness. Additionally, it can function as an additive in adhesives and composite formulations to boost aging performance. It may serve as an intermediate in the synthesis of specialty antioxidants or related polymer-additive precursors.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 74.32
    methanol 34.84
    isopropanol 90.8
    water 0.04
    ethyl acetate 488.63
    n-propanol 121.57
    acetone 469.12
    n-butanol 162.28
    acetonitrile 70.83
    DMF 436.85
    toluene 284.95
    isobutanol 146.31
    1,4-dioxane 482.36
    methyl acetate 361.27
    THF 1312.41
    2-butanone 494.79
    n-pentanol 155.83
    sec-butanol 149.52
    n-hexane 181.46
    ethylene glycol 7.55
    NMP 700.67
    cyclohexane 203.88
    DMSO 338.91
    n-butyl acetate 662.31
    n-octanol 177.83
    chloroform 939.18
    n-propyl acetate 429.43
    acetic acid 108.04
    dichloromethane 663.28
    cyclohexanone 875.75
    propylene glycol 28.13
    isopropyl acetate 503.9
    DMAc 897.63
    2-ethoxyethanol 186.21
    isopentanol 193.31
    n-heptane 131.74
    ethyl formate 156.54
    1,2-dichloroethane 612.39
    n-hexanol 265.44
    2-methoxyethanol 172.57
    isobutyl acetate 431.52
    tetrachloromethane 215.0
    n-pentyl acetate 413.48
    transcutol 886.35
    n-heptanol 158.82
    ethylbenzene 174.82
    MIBK 425.3
    2-propoxyethanol 385.1
    tert-butanol 191.84
    MTBE 676.15
    2-butoxyethanol 263.21
    propionic acid 136.4
    o-xylene 222.3
    formic acid 12.97
    diethyl ether 468.69
    m-xylene 230.36
    p-xylene 277.0
    chlorobenzene 343.93
    dimethyl carbonate 204.25
    n-octane 62.33
    formamide 18.41
    cyclopentanone 1032.39
    2-pentanone 538.49
    anisole 257.27
    cyclopentyl methyl ether 820.64
    gamma-butyrolactone 779.43
    1-methoxy-2-propanol 228.52
    pyridine 320.79
    3-pentanone 568.67
    furfural 441.34
    n-dodecane 36.97
    diethylene glycol 128.01
    diisopropyl ether 294.62
    tert-amyl alcohol 251.05
    acetylacetone 673.75
    n-hexadecane 43.66
    acetophenone 294.32
    methyl propionate 429.83
    isopentyl acetate 679.52
    trichloroethylene 924.85
    n-nonanol 174.91
    cyclohexanol 284.23
    benzyl alcohol 140.38
    2-ethylhexanol 272.58
    isooctanol 162.71
    dipropyl ether 548.75
    1,2-dichlorobenzene 341.82
    ethyl lactate 168.01
    propylene carbonate 510.23
    n-methylformamide 91.05
    2-pentanol 171.8
    n-pentane 95.2
    1-propoxy-2-propanol 415.47
    1-methoxy-2-propyl acetate 685.86
    2-(2-methoxypropoxy) propanol 297.77
    mesitylene 175.14
    ε-caprolactone 699.64
    p-cymene 162.96
    epichlorohydrin 799.88
    1,1,1-trichloroethane 812.44
    2-aminoethanol 26.2
    morpholine-4-carbaldehyde 541.36
    sulfolane 1043.82
    2,2,4-trimethylpentane 94.37
    2-methyltetrahydrofuran 897.32
    n-hexyl acetate 553.46
    isooctane 56.9
    2-(2-butoxyethoxy)ethanol 381.7
    sec-butyl acetate 428.6
    tert-butyl acetate 675.05
    decalin 115.09
    glycerin 43.01
    diglyme 770.39
    acrylic acid 88.54
    isopropyl myristate 246.16
    n-butyric acid 302.07
    acetyl acetate 371.51
    di(2-ethylhexyl) phthalate 168.88
    ethyl propionate 403.52
    nitromethane 207.77
    1,2-diethoxyethane 591.04
    benzonitrile 173.44
    trioctyl phosphate 156.53
    1-bromopropane 458.95
    gamma-valerolactone 834.84
    n-decanol 137.83
    triethyl phosphate 266.81
    4-methyl-2-pentanol 146.34
    propionitrile 121.24
    vinylene carbonate 305.61
    1,1,2-trichlorotrifluoroethane 488.45
    DMS 419.29
    cumene 156.99
    2-octanol 128.97
    2-hexanone 458.46
    octyl acetate 290.29
    limonene 283.82
    1,2-dimethoxyethane 469.0
    ethyl orthosilicate 287.67
    tributyl phosphate 208.05
    diacetone alcohol 408.39
    N,N-dimethylaniline 228.9
    acrylonitrile 102.24
    aniline 208.21
    1,3-propanediol 65.49
    bromobenzene 419.52
    dibromomethane 539.73
    1,1,2,2-tetrachloroethane 1081.02
    2-methyl-cyclohexyl acetate 423.09
    tetrabutyl urea 244.87
    diisobutyl methanol 188.01
    2-phenylethanol 199.73
    styrene 185.86
    dioctyl adipate 298.41
    dimethyl sulfate 364.71
    ethyl butyrate 472.73
    methyl lactate 168.84
    butyl lactate 288.65
    diethyl carbonate 291.54
    propanediol butyl ether 198.84
    triethyl orthoformate 438.11
    p-tert-butyltoluene 176.77
    methyl 4-tert-butylbenzoate 332.04
    morpholine 505.71
    tert-butylamine 158.89
    n-dodecanol 112.56
    dimethoxymethane 407.6
    ethylene carbonate 343.14
    cyrene 257.37
    2-ethoxyethyl acetate 485.52
    2-ethylhexyl acetate 616.84
    1,2,4-trichlorobenzene 413.16
    4-methylpyridine 424.53
    dibutyl ether 464.2
    2,6-dimethyl-4-heptanol 188.01
    DEF 565.27
    dimethyl isosorbide 563.38
    tetrachloroethylene 619.29
    eugenol 217.52
    triacetin 485.85
    span 80 270.9
    1,4-butanediol 37.77
    1,1-dichloroethane 635.61
    2-methyl-1-pentanol 190.97
    methyl formate 92.38
    2-methyl-1-butanol 200.56
    n-decane 72.36
    butyronitrile 157.0
    3,7-dimethyl-1-octanol 219.5
    1-chlorooctane 257.01
    1-chlorotetradecane 99.2
    n-nonane 76.7
    undecane 49.4
    tert-butylcyclohexane 118.68
    cyclooctane 91.22
    cyclopentanol 263.49
    tetrahydropyran 750.3
    tert-amyl methyl ether 603.91
    2,5,8-trioxanonane 458.87
    1-hexene 306.74
    2-isopropoxyethanol 216.61
    2,2,2-trifluoroethanol 58.63
    methyl butyrate 472.99

    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