2-Nitroethanol

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  • Identifiers

    CAS number
    625-48-9

    Molecular formula
    C2H5NO3

    SMILES
    C(CO)[N+](=O)[O-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 53.43%
    Sweet 29.29%
    Sour 26.88%
    Caramellic 26.55%
    Fruity 24.8%
    Buttery 24.04%
    Sharp 23.8%
    Ethereal 22.25%
    Fatty 20.22%
    Pungent 20.1%

     

    Flavor
    Odorless 74.04%
    Sour 33.34%
    Mild 28.7%
    Very mild 25.78%
    Acidic 24.98%
    Bland 23.18%
    Yeast 22.76%
    Sweet-like 22.45%
    Faint 22.36%
    Formyl 20.93%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    8.37 (weak base)

    Molecular weight
    91.07 g/mol

    Melting point expt.

    • -112 °F (NTP, 1992)

    Boiling point

    • 381 °F at 765 mmHg (NTP, 1992)

    Flash point

    • 88.19 ˚C est.
    • greater than 235 °F (NTP, 1992)

    Solubility expt.

    • less than 1 mg/mL at 70 °F (NTP, 1992)

  • Synonyms

    • 2-NITROETHANOL
    • 625-48-9
    • Ethanol, 2-nitro-
    • 2-nitroethan-1-ol
    • 2-Nitro-ethanol
    • .beta.-Nitroethanol
    • CCRIS 6076
    • EINECS 210-895-1
    • MFCD00007405
    • NSC 16151
    • BRN 1633753
    • DTXSID8025751
    • AI3-28038
    • .beta.-Nitroethyl alcohol
    • DTXCID805751
    • 4-01-00-01388 (Beilstein Handbook Reference)
    • beta-Nitroalcohol
    • beta-Nitroethanol
    • 2-Nitroethanol; NSC 16151; ss-Nitroethano;
    • NSC16151
    • 2-Nitro-1-ethanol
    • beta-Nitroethyl alcohol
    • 2-Nitroethanol, 97%
    • MLS002152877
    • CHEMBL324774
    • 1-NITRO-2-HYDROXYETHANE
    • HMS3039F14
    • Tox21_200622
    • AC1643
    • NSC-16151
    • AKOS009085428
    • AB00877
    • CS-W013741
    • FN07840
    • NCGC00091621-01
    • NCGC00091621-02
    • NCGC00258176-01
    • CAS-625-48-9
    • SMR001224491
    • SY008757
    • 2-Nitroethanol, purum, >=95.0% (GC)
    • DB-054194
    • N0368
    • NS00035065
    • EN300-23939
    • Q22668732
    • 210-895-1

  • Applications

    2-Nitroethanol (CAS 625-48-9) is primarily used as a chemical intermediate for the synthesis of ethanolamine (2-aminoethanol) and related amino-alcohols. From that core, it supports downstream applications such as the production of surfactants and emulsifiers for cleaners and cosmetics, the manufacture of polyurethane polyols and coatings formulations, and adhesive systems. It also serves as an intermediate in pharmaceutical and agrochemical synthesis, and may be considered for polymer and specialty chemical routes. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 137.83
    methanol 308.43
    isopropanol 82.27
    water 299.55
    ethyl acetate 45.46
    n-propanol 95.73
    acetone 191.27
    n-butanol 72.21
    acetonitrile 221.15
    DMF 994.72
    toluene 5.6
    isobutanol 66.39
    1,4-dioxane 54.5
    methyl acetate 80.15
    THF 69.17
    2-butanone 98.43
    n-pentanol 49.4
    sec-butanol 61.36
    n-hexane 2.27
    ethylene glycol 219.24
    NMP 766.27
    cyclohexane 2.39
    DMSO 688.17
    n-butyl acetate 20.11
    n-octanol 21.2
    chloroform 17.49
    n-propyl acetate 32.48
    acetic acid 414.41
    dichloromethane 40.15
    cyclohexanone 98.52
    propylene glycol 162.8
    isopropyl acetate 20.66
    DMAc 725.01
    2-ethoxyethanol 148.87
    isopentanol 53.74
    n-heptane 2.26
    ethyl formate 88.36
    1,2-dichloroethane 43.17
    n-hexanol 22.8
    2-methoxyethanol 296.74
    isobutyl acetate 14.31
    tetrachloromethane 2.45
    n-pentyl acetate 16.36
    transcutol 282.6
    n-heptanol 12.34
    ethylbenzene 5.8
    MIBK 29.73
    2-propoxyethanol 72.05
    tert-butanol 78.08
    MTBE 21.43
    2-butoxyethanol 39.17
    propionic acid 170.41
    o-xylene 11.1
    formic acid 459.45
    diethyl ether 20.82
    m-xylene 6.92
    p-xylene 8.49
    chlorobenzene 12.22
    dimethyl carbonate 56.46
    n-octane 1.08
    formamide 529.69
    cyclopentanone 116.02
    2-pentanone 61.13
    anisole 24.71
    cyclopentyl methyl ether 27.5
    gamma-butyrolactone 178.61
    1-methoxy-2-propanol 169.08
    pyridine 51.53
    3-pentanone 54.45
    furfural 219.14
    n-dodecane 1.3
    diethylene glycol 130.75
    diisopropyl ether 5.84
    tert-amyl alcohol 61.74
    acetylacetone 77.84
    n-hexadecane 1.36
    acetophenone 54.03
    methyl propionate 78.74
    isopentyl acetate 16.23
    trichloroethylene 56.7
    n-nonanol 18.96
    cyclohexanol 46.6
    benzyl alcohol 45.76
    2-ethylhexanol 14.0
    isooctanol 10.66
    dipropyl ether 13.26
    1,2-dichlorobenzene 18.52
    ethyl lactate 51.09
    propylene carbonate 82.3
    n-methylformamide 483.6
    2-pentanol 36.08
    n-pentane 2.86
    1-propoxy-2-propanol 45.81
    1-methoxy-2-propyl acetate 32.48
    2-(2-methoxypropoxy) propanol 86.98
    mesitylene 6.09
    ε-caprolactone 93.96
    p-cymene 6.99
    epichlorohydrin 111.26
    1,1,1-trichloroethane 14.09
    2-aminoethanol 207.64
    morpholine-4-carbaldehyde 451.1
    sulfolane 329.88
    2,2,4-trimethylpentane 2.19
    2-methyltetrahydrofuran 41.94
    n-hexyl acetate 29.52
    isooctane 1.24
    2-(2-butoxyethoxy)ethanol 95.06
    sec-butyl acetate 15.15
    tert-butyl acetate 22.11
    decalin 2.4
    glycerin 288.42
    diglyme 142.38
    acrylic acid 241.24
    isopropyl myristate 12.34
    n-butyric acid 108.36
    acetyl acetate 33.2
    di(2-ethylhexyl) phthalate 25.96
    ethyl propionate 36.84
    nitromethane 694.48
    1,2-diethoxyethane 31.92
    benzonitrile 51.41
    trioctyl phosphate 16.4
    1-bromopropane 14.0
    gamma-valerolactone 245.08
    n-decanol 14.87
    triethyl phosphate 18.38
    4-methyl-2-pentanol 18.47
    propionitrile 96.18
    vinylene carbonate 104.48
    1,1,2-trichlorotrifluoroethane 159.4
    DMS 41.65
    cumene 6.83
    2-octanol 9.59
    2-hexanone 37.45
    octyl acetate 18.45
    limonene 11.0
    1,2-dimethoxyethane 141.88
    ethyl orthosilicate 14.3
    tributyl phosphate 22.6
    diacetone alcohol 69.49
    N,N-dimethylaniline 33.02
    acrylonitrile 196.63
    aniline 27.06
    1,3-propanediol 178.59
    bromobenzene 6.84
    dibromomethane 18.64
    1,1,2,2-tetrachloroethane 45.04
    2-methyl-cyclohexyl acetate 20.32
    tetrabutyl urea 45.76
    diisobutyl methanol 9.0
    2-phenylethanol 25.8
    styrene 6.9
    dioctyl adipate 30.09
    dimethyl sulfate 146.21
    ethyl butyrate 22.78
    methyl lactate 116.69
    butyl lactate 32.24
    diethyl carbonate 19.04
    propanediol butyl ether 76.71
    triethyl orthoformate 16.7
    p-tert-butyltoluene 6.18
    methyl 4-tert-butylbenzoate 46.92
    morpholine 105.43
    tert-butylamine 32.34
    n-dodecanol 11.88
    dimethoxymethane 134.1
    ethylene carbonate 67.5
    cyrene 114.03
    2-ethoxyethyl acetate 29.22
    2-ethylhexyl acetate 12.01
    1,2,4-trichlorobenzene 24.93
    4-methylpyridine 58.07
    dibutyl ether 14.42
    2,6-dimethyl-4-heptanol 9.0
    DEF 167.29
    dimethyl isosorbide 90.98
    tetrachloroethylene 25.97
    eugenol 56.25
    triacetin 57.46
    span 80 61.78
    1,4-butanediol 95.21
    1,1-dichloroethane 20.81
    2-methyl-1-pentanol 40.15
    methyl formate 279.76
    2-methyl-1-butanol 56.89
    n-decane 1.78
    butyronitrile 66.08
    3,7-dimethyl-1-octanol 19.89
    1-chlorooctane 6.98
    1-chlorotetradecane 3.7
    n-nonane 1.63
    undecane 1.49
    tert-butylcyclohexane 2.18
    cyclooctane 1.08
    cyclopentanol 57.03
    tetrahydropyran 29.21
    tert-amyl methyl ether 22.51
    2,5,8-trioxanonane 128.17
    1-hexene 7.78
    2-isopropoxyethanol 69.44
    2,2,2-trifluoroethanol 195.64
    methyl butyrate 55.91

    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