2-Nitro-5-glyceryl methylaniline

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  • Identifiers

    CAS number
    80062-31-3

    Molecular formula
    C10H14N2O5

    SMILES
    CNC1=C(C=CC(=C1)OCC(CO)O)[N+](=O)[O-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 57.74%
    Sweet 35.72%
    Savory 26.31%
    Milky 25.66%
    Grape 23.69%
    Fruity 23.06%
    Fatty 20.2%
    Bitter 19.21%
    Creamy 19.17%
    Musk 18.96%

     

    Flavor
    Odorless 58.41%
    Bitter 42.33%
    Bland 29.59%
    Mild 29.3%
    Very mild 28.92%
    Sweet-like 25.17%
    Yeast 19.35%
    Fruity 19.34%
    Orange flower 19.27%
    Very slight 18.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    8.94 (weak base)

    Molecular weight
    242.23 g/mol

    Flash point

    • 220.67 ˚C est.

  • Synonyms

    • 80062-31-3
    • 2-Nitro-5-glyceryl methylaniline
    • UNII-Y6YE3133F5
    • Y6YE3133F5
    • EINECS 279-383-3
    • IMEXINE FT
    • 3-(3-(Methylamino)-4-nitrophenoxy)-1,2-propanediol
    • DTXSID50868556
    • 2-NITRO-5-GLYCERYL METHANOLANILINE
    • RefChem:88685
    • DTXCID50816653
    • 2-NITRO-5-GLYCERYL METHYLANILINE [INCI]
    • 279-383-3
    • 3-[3-(METHYLAMINO)-4-NITROPHENOXY]PROPANE-1,2-DIOL
    • 3-(3-(Methylamino)-4-nitrophenoxy)propane-1,2-diol
    • 1,2-Propanediol, 3-[3-(methylamino)-4-nitrophenoxy]-
    • 1,2-Propanediol,3-[3-(methylamino)-4-nitrophenoxy]-
    • 1,2-Propanediol, 3-(3-(methylamino)-4-nitrophenoxy)-
    • SCHEMBL128166
    • CDRHDQOGKXFJSA-UHFFFAOYSA-N
    • AKOS028108860
    • DB-356793
    • NS00060140
    • 062M313
    • A852297
    • Q21546977
    • 80062-31-3

  • Applications

    2-Nitro-5-glyceryl methylaniline (CAS 80062-31-3) is a specialty intermediate used in polymer and surface-modification chemistries; the glyceryl moiety provides multi-functionality enabling it to act as a monomer or crosslinking component in polyurethane and epoxy systems. It is also a precursor for specialty dye and pigment chemistries and can serve as a building block for coating, ink, and adhesive formulations requiring functional linking. Additionally, the presence of multiple reactive sites on the glyceryl group makes the compound a candidate for advanced polymer and electronic materials development, including photoresist-related applications, in research contexts, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.11
    methanol 46.69
    isopropanol 9.23
    water 3.55
    ethyl acetate 7.13
    n-propanol 11.85
    acetone 44.36
    n-butanol 9.01
    acetonitrile 10.55
    DMF 277.96
    toluene 1.2
    isobutanol 7.05
    1,4-dioxane 15.07
    methyl acetate 12.24
    THF 42.72
    2-butanone 18.83
    n-pentanol 7.38
    sec-butanol 7.69
    n-hexane 0.09
    ethylene glycol 53.26
    NMP 184.75
    cyclohexane 0.25
    DMSO 717.63
    n-butyl acetate 5.0
    n-octanol 3.97
    chloroform 2.7
    n-propyl acetate 6.41
    acetic acid 76.42
    dichloromethane 5.17
    cyclohexanone 33.07
    propylene glycol 43.99
    isopropyl acetate 4.86
    DMAc 316.28
    2-ethoxyethanol 57.98
    isopentanol 8.93
    n-heptane 0.19
    ethyl formate 13.41
    1,2-dichloroethane 7.01
    n-hexanol 6.14
    2-methoxyethanol 115.51
    isobutyl acetate 3.5
    tetrachloromethane 0.61
    n-pentyl acetate 3.47
    transcutol 88.61
    n-heptanol 4.36
    ethylbenzene 1.27
    MIBK 8.98
    2-propoxyethanol 30.6
    tert-butanol 19.92
    MTBE 4.61
    2-butoxyethanol 16.48
    propionic acid 22.37
    o-xylene 2.38
    formic acid 147.25
    diethyl ether 2.09
    m-xylene 1.75
    p-xylene 1.85
    chlorobenzene 1.89
    dimethyl carbonate 15.29
    n-octane 0.13
    formamide 190.33
    cyclopentanone 49.26
    2-pentanone 11.43
    anisole 7.16
    cyclopentyl methyl ether 7.47
    gamma-butyrolactone 61.32
    1-methoxy-2-propanol 57.75
    pyridine 11.6
    3-pentanone 8.59
    furfural 62.78
    n-dodecane 0.16
    diethylene glycol 62.92
    diisopropyl ether 0.86
    tert-amyl alcohol 15.34
    acetylacetone 30.65
    n-hexadecane 0.18
    acetophenone 15.65
    methyl propionate 14.21
    isopentyl acetate 5.86
    trichloroethylene 12.27
    n-nonanol 4.07
    cyclohexanol 9.4
    benzyl alcohol 14.93
    2-ethylhexanol 4.12
    isooctanol 3.95
    dipropyl ether 2.62
    1,2-dichlorobenzene 3.07
    ethyl lactate 19.33
    propylene carbonate 25.22
    n-methylformamide 87.73
    2-pentanol 4.1
    n-pentane 0.09
    1-propoxy-2-propanol 18.96
    1-methoxy-2-propyl acetate 14.66
    2-(2-methoxypropoxy) propanol 30.36
    mesitylene 1.45
    ε-caprolactone 28.02
    p-cymene 1.97
    epichlorohydrin 39.86
    1,1,1-trichloroethane 2.38
    2-aminoethanol 49.52
    morpholine-4-carbaldehyde 111.05
    sulfolane 157.91
    2,2,4-trimethylpentane 0.18
    2-methyltetrahydrofuran 12.45
    n-hexyl acetate 6.01
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 31.24
    sec-butyl acetate 3.79
    tert-butyl acetate 8.91
    decalin 0.25
    glycerin 108.64
    diglyme 57.25
    acrylic acid 36.0
    isopropyl myristate 2.98
    n-butyric acid 18.95
    acetyl acetate 8.16
    di(2-ethylhexyl) phthalate 7.54
    ethyl propionate 6.47
    nitromethane 126.3
    1,2-diethoxyethane 8.61
    benzonitrile 8.41
    trioctyl phosphate 4.9
    1-bromopropane 1.38
    gamma-valerolactone 76.61
    n-decanol 3.25
    triethyl phosphate 7.53
    4-methyl-2-pentanol 3.7
    propionitrile 6.08
    vinylene carbonate 22.7
    1,1,2-trichlorotrifluoroethane 78.53
    DMS 11.76
    cumene 1.43
    2-octanol 2.31
    2-hexanone 8.56
    octyl acetate 4.49
    limonene 2.92
    1,2-dimethoxyethane 50.81
    ethyl orthosilicate 5.96
    tributyl phosphate 5.87
    diacetone alcohol 33.24
    N,N-dimethylaniline 8.42
    acrylonitrile 15.53
    aniline 6.1
    1,3-propanediol 49.36
    bromobenzene 1.28
    dibromomethane 2.46
    1,1,2,2-tetrachloroethane 10.93
    2-methyl-cyclohexyl acetate 8.48
    tetrabutyl urea 10.89
    diisobutyl methanol 3.01
    2-phenylethanol 10.61
    styrene 1.35
    dioctyl adipate 8.68
    dimethyl sulfate 58.55
    ethyl butyrate 6.39
    methyl lactate 40.62
    butyl lactate 10.01
    diethyl carbonate 5.98
    propanediol butyl ether 22.78
    triethyl orthoformate 6.26
    p-tert-butyltoluene 1.9
    methyl 4-tert-butylbenzoate 17.21
    morpholine 27.49
    tert-butylamine 4.55
    n-dodecanol 2.53
    dimethoxymethane 49.54
    ethylene carbonate 15.75
    cyrene 48.95
    2-ethoxyethyl acetate 8.68
    2-ethylhexyl acetate 3.95
    1,2,4-trichlorobenzene 5.04
    4-methylpyridine 10.5
    dibutyl ether 2.29
    2,6-dimethyl-4-heptanol 3.01
    DEF 37.28
    dimethyl isosorbide 41.0
    tetrachloroethylene 6.7
    eugenol 18.96
    triacetin 15.61
    span 80 19.56
    1,4-butanediol 24.52
    1,1-dichloroethane 2.3
    2-methyl-1-pentanol 8.09
    methyl formate 60.1
    2-methyl-1-butanol 8.3
    n-decane 0.23
    butyronitrile 5.56
    3,7-dimethyl-1-octanol 4.63
    1-chlorooctane 1.11
    1-chlorotetradecane 0.58
    n-nonane 0.18
    undecane 0.18
    tert-butylcyclohexane 0.21
    cyclooctane 0.13
    cyclopentanol 11.66
    tetrahydropyran 5.93
    tert-amyl methyl ether 5.39
    2,5,8-trioxanonane 49.99
    1-hexene 0.45
    2-isopropoxyethanol 25.72
    2,2,2-trifluoroethanol 44.72
    methyl butyrate 11.62

    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