Isophorone diamine

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  • Identifiers

    CAS number
    2855-13-2

    Molecular formula
    C10H22N2

    SMILES
    CC1(CC(CC(C1)(C)CN)N)C

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fishy 46.41%
    Cheesy 32.38%
    Animal 32.22%
    Ripe 29.89%
    Cooling 25.92%
    Mint 24.69%
    Odorless 24.62%
    Musty 22.65%
    Earthy 22.31%
    Meaty 21.94%

    Scent© AI

  • Properties

    XLogP3-AA
    1.1

    Molecular weight
    170.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • 50 °F (USCG, 1999)
    • 10 °C

    Boiling point

    • 477 °F at 760 mmHg (USCG, 1999)
    • 247 °C

    Flash point est.
    112.76 ˚C

    Flash point expt.

    • 230 °F (USCG, 1999)
    • Flash point =112 °C
    • 112 °C c.c.

    Solubility expt.

    • Solubility in water at 492 g/l at 23.8 °C: very soluble

  • Synonyms

    • ISOPHORONE DIAMINE
    • 2855-13-2
    • Isophoronediamine
    • Isophorondiamine
    • 3-Aminomethyl-3,5,5-trimethylcyclohexylamine
    • Cyclohexanemethanamine, 5-amino-1,3,3-trimethyl-
    • 3-(Aminomethyl)-3,5,5-trimethylcyclohexanamine
    • CCRIS 6680
    • HSDB 4058
    • Vestamin IPD
    • EINECS 220-666-8
    • UN2289
    • 5-Amino-1,3,3-trimethylcyclohexanemethylamine
    • Cyclohexanemethylamine, 5-amino-1,3,3-trimethyl-
    • DTXSID6027503
    • 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine
    • Araldite HY 5083
    • 1-Amino-3-aminomethyl-3,5,5-trimethylcyclohexane
    • X5WYA841BU
    • DTXCID907503
    • EC 220-666-8
    • 3,3,5-Trimethyl-5-aminomethylcyclohexylamine
    • 5-Amino-1,3,3-trimethylcyclohexanemethanamine
    • 1,3,3-Trimethyl-1-aminomethyl-5-aminocyclohexane
    • 1-Amino-3,3,5-trimethyl-5-aminomethylcyclohexane
    • 1-Amino-3-(aminomethyl)-3,5,5-trimethylcyclohexane
    • CAS-2855-13-2
    • IPDA
    • UNII-X5WYA841BU
    • isophorondiamin
    • Isoforondiamina
    • Vestamine IPDA
    • Degamin IPDA
    • Luxam IPD
    • Chemammina CA 17
    • Isophorondiamin (German)
    • SCHEMBL15383
    • Isoforondiamina (Spanish DOT)
    • Isophoronediamine (French DOT)
    • SCHEMBL8745864
    • CHEMBL1876029
    • ISOPHORONE DIAMINE [HSDB]
    • ISOPHORONE DIAMINE [INCI]
    • Tox21_201401
    • Tox21_303122
    • MFCD00019397
    • AKOS000120367
    • FI24690
    • UN 2289
    • 3Aminomethyl3,5,5trimethylcyclohexylamin
    • NCGC00164044-01
    • NCGC00164044-02
    • NCGC00257083-01
    • NCGC00258952-01
    • 3,3,5Trimethyl5aminomethylcyclohexylamine
    • 3Aminomethyl3,5,5trimethylcyclohexylamine
    • LS-13908
    • 5Amino1,3,3trimethylcyclohexanemethanamine
    • 5Amino1,3,3trimethylcyclohexanemethylamine
    • Isophoronediamine [UN2289] [Corrosive]
    • 1,3,3Trimethyl1aminomethyl5aminocyclohexane
    • 1Amino3,3,5trimethyl5aminomethylcyclohexane
    • 1Amino3aminomethyl3,5,5trimethylcyclohexane
    • Cyclohexanemethanamine, 5amino1,3,3trimethyl
    • Cyclohexanemethylamine, 5amino1,3,3trimethyl
    • I0228
    • NS00010871
    • 1Amino3(aminomethyl)3,5,5trimethylcyclohexane
    • EN300-20211
    • 3-Aminomethyl-3,5,5-trimethyl cyclohexylamine
    • 3-(Aminomethyl)-3,5,5-trimethylcyclohexanamine #
    • 3Aminomethyl3,5,5trimethylcyclohexylamin (German)
    • 1-amino-3,3,5-trimethyl-5-aminomethyl cyclohexane
    • 1-amino-3-aminomethyl-3,5,5-trimethyl cyclohexane
    • 1-aminomethyl-5-amino-1,3,3-trimethyl cyclohexane
    • Q1674522
    • F2191-0270
    • 220-666-8
    • 5-Amino-1,3,3-trimethylcyclohexanemethanamine;5-Amino-1,3,3-trimethyl-cyclohexanemethylamine;5-Amino-1,3,3-trimethylcyclohexanemethy lamine
    • 964-475-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 56.57
    methanol 105.12
    isopropanol 30.99
    water 9.94
    ethyl acetate 45.29
    n-propanol 46.94
    acetone 45.09
    n-butanol 34.97
    acetonitrile 41.99
    DMF 39.42
    toluene 16.58
    isobutanol 32.48
    1,4-dioxane 54.28
    methyl acetate 51.51
    THF 147.71
    2-butanone 46.06
    n-pentanol 19.92
    sec-butanol 25.86
    n-hexane 2.09
    ethylene glycol 33.01
    NMP 109.09
    cyclohexane 3.1
    DMSO 83.88
    n-butyl acetate 67.93
    n-octanol 22.06
    chloroform 65.96
    n-propyl acetate 28.89
    acetic acid 150.34
    dichloromethane 43.11
    cyclohexanone 86.12
    propylene glycol 36.71
    isopropyl acetate 29.44
    DMAc 56.91
    2-ethoxyethanol 40.84
    isopentanol 27.74
    n-heptane 6.36
    ethyl formate 55.0
    1,2-dichloroethane 24.9
    n-hexanol 72.02
    2-methoxyethanol 87.06
    isobutyl acetate 23.76
    tetrachloromethane 26.07
    n-pentyl acetate 29.77
    transcutol 66.92
    n-heptanol 37.55
    ethylbenzene 6.48
    MIBK 26.56
    2-propoxyethanol 122.23
    tert-butanol 41.55
    MTBE 27.56
    2-butoxyethanol 61.99
    propionic acid 80.08
    o-xylene 13.71
    formic acid 120.3
    diethyl ether 19.62
    m-xylene 18.91
    p-xylene 10.01
    chlorobenzene 27.52
    dimethyl carbonate 24.14
    n-octane 2.29
    formamide 57.75
    cyclopentanone 120.18
    2-pentanone 35.46
    anisole 18.46
    cyclopentyl methyl ether 58.79
    gamma-butyrolactone 172.64
    1-methoxy-2-propanol 52.46
    pyridine 44.17
    3-pentanone 28.98
    furfural 149.93
    n-dodecane 1.55
    diethylene glycol 96.83
    diisopropyl ether 8.78
    tert-amyl alcohol 36.2
    acetylacetone 50.68
    n-hexadecane 1.68
    acetophenone 25.78
    methyl propionate 43.59
    isopentyl acetate 61.72
    trichloroethylene 68.88
    n-nonanol 19.42
    cyclohexanol 34.26
    benzyl alcohol 22.69
    2-ethylhexanol 42.19
    isooctanol 28.48
    dipropyl ether 28.92
    1,2-dichlorobenzene 29.08
    ethyl lactate 26.51
    propylene carbonate 92.31
    n-methylformamide 59.77
    2-pentanol 19.07
    n-pentane 2.58
    1-propoxy-2-propanol 82.11
    1-methoxy-2-propyl acetate 75.82
    2-(2-methoxypropoxy) propanol 38.84
    mesitylene 13.12
    ε-caprolactone 79.11
    p-cymene 18.87
    epichlorohydrin 94.15
    1,1,1-trichloroethane 40.35
    2-aminoethanol 49.07
    morpholine-4-carbaldehyde 83.06
    sulfolane 178.48
    2,2,4-trimethylpentane 3.04
    2-methyltetrahydrofuran 79.97
    n-hexyl acetate 34.11
    isooctane 2.62
    2-(2-butoxyethoxy)ethanol 47.31
    sec-butyl acetate 18.35
    tert-butyl acetate 39.93
    decalin 2.3
    glycerin 67.2
    diglyme 81.66
    acrylic acid 81.06
    isopropyl myristate 11.82
    n-butyric acid 90.43
    acetyl acetate 42.26
    di(2-ethylhexyl) phthalate 23.86
    ethyl propionate 23.91
    nitromethane 147.38
    1,2-diethoxyethane 21.99
    benzonitrile 32.07
    trioctyl phosphate 19.45
    1-bromopropane 14.55
    gamma-valerolactone 153.19
    n-decanol 14.08
    triethyl phosphate 25.31
    4-methyl-2-pentanol 16.57
    propionitrile 31.75
    vinylene carbonate 85.41
    1,1,2-trichlorotrifluoroethane 110.92
    DMS 29.1
    cumene 7.36
    2-octanol 17.8
    2-hexanone 22.36
    octyl acetate 19.05
    limonene 23.5
    1,2-dimethoxyethane 42.97
    ethyl orthosilicate 23.67
    tributyl phosphate 19.01
    diacetone alcohol 52.64
    N,N-dimethylaniline 13.25
    acrylonitrile 43.62
    aniline 29.72
    1,3-propanediol 52.58
    bromobenzene 25.0
    dibromomethane 27.96
    1,1,2,2-tetrachloroethane 49.39
    2-methyl-cyclohexyl acetate 42.07
    tetrabutyl urea 19.75
    diisobutyl methanol 21.52
    2-phenylethanol 49.42
    styrene 7.04
    dioctyl adipate 17.84
    dimethyl sulfate 47.82
    ethyl butyrate 37.96
    methyl lactate 38.36
    butyl lactate 32.37
    diethyl carbonate 25.36
    propanediol butyl ether 38.24
    triethyl orthoformate 31.5
    p-tert-butyltoluene 20.18
    methyl 4-tert-butylbenzoate 46.19
    morpholine 59.37
    tert-butylamine 20.43
    n-dodecanol 10.08
    dimethoxymethane 37.43
    ethylene carbonate 67.28
    cyrene 51.22
    2-ethoxyethyl acetate 37.2
    2-ethylhexyl acetate 45.66
    1,2,4-trichlorobenzene 41.88
    4-methylpyridine 40.19
    dibutyl ether 10.59
    2,6-dimethyl-4-heptanol 21.52
    DEF 29.37
    dimethyl isosorbide 88.7
    tetrachloroethylene 47.69
    eugenol 41.69
    triacetin 37.15
    span 80 39.2
    1,4-butanediol 20.02
    1,1-dichloroethane 24.51
    2-methyl-1-pentanol 17.99
    methyl formate 68.1
    2-methyl-1-butanol 28.22
    n-decane 2.66
    butyronitrile 31.34
    3,7-dimethyl-1-octanol 21.8
    1-chlorooctane 10.14
    1-chlorotetradecane 3.78
    n-nonane 2.53
    undecane 1.97
    tert-butylcyclohexane 3.18
    cyclooctane 2.01
    cyclopentanol 48.43
    tetrahydropyran 43.95
    tert-amyl methyl ether 24.18
    2,5,8-trioxanonane 55.89
    1-hexene 4.94
    2-isopropoxyethanol 29.58
    2,2,2-trifluoroethanol 79.31
    methyl butyrate 30.32

    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