2-Nitropropane

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  • Identifiers

    CAS number
    79-46-9

    Molecular formula
    C3H7NO2

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Fruity 71.06%
    Cheesy 50.5%
    Buttery 42.99%
    Sour 36.17%
    Dairy 32.0%
    Caramellic 31.12%
    Creamy 30.06%
    Ethereal 29.9%
    Pungent 29.32%
    Milky 28.82%

     

    Flavor
    Odorless 41.42%
    Cheese 25.86%
    Sour 25.36%
    Fruity 24.47%
    Roquefort cheese 20.95%
    Acidic 20.68%
    Stinky 19.9%
    Mousy 19.82%
    Soy 19.18%
    Acrid 19.04%

     

    Odor impact est.
    High

    Odor threshold

    • Odor Threshold Low: 81.0 [mmHg]. Odor Threshold High: 288.0 [mmHg]. Odor threshold from AIHA
    • Detection in air (99% pure) 2.49 X 10(4) ppb
    • Odor low: 17.5 mg/cu m; Odor high: 1029 mg/cu m
    • /One study/... stated that the odor of 2-NP was detectable at 1070 mg/cu m (294 ppm) but not at 302 mg/cu m (83 ppm), without describing the methodology by which these values were determined; their values have nevertheless been incorporated into various guidelines. Two recent studies redetermined the odor threshold for 2-NP. In one the ED50 (minimum concentration detected by 50% of the population) was estimated to be 18.2 mg/cu m (5.0 ppm) with 95% confidence limits from 11.3 mg/cu m (3.1 ppm) to28.76 mg/cu m (7.9 ppm), and, in the other, all of a four-member test panel detected 2-NP at 11.3 mg/cu m.

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    7.88 (neutral)

    Molecular weight
    89.09 g/mol

    Melting point expt.

    • -135 °F (NTP, 1992)
    • -91.3 °C
    • -91 °C
    • -135 °F

    Boiling point

    • 248.5 °F at 760 mmHg (NTP, 1992)
    • 120.2 °C
    • 120 °C
    • 249 °F

    Flash point

    • 28.59 ˚C est.
    • 75 °F (NTP, 1992)
    • 75 °F
    • 24 °C (75 °F)(closed cup)
    • 39 °C (closed cup), 24 °C (open cup)
    • 38 °C (open cup) /from table/
    • 24 °C c.c.

    Solubility expt.

    • greater than or equal to 0.1 mg/mL at 66 °F (NTP, 1992)
    • Soluble in chloroform
    • Miscible with most aromatic hydrocarbons, ketones, esters, ethers, and the lower carboxylic acids
    • In water, 1.70X10+4 mg/L at 25 °C
    • Solubility in water, g/100ml at 25 °C: 1.7
    • 2%

  • Synonyms

    • 2-nitropropane
    • 79-46-9
    • Propane, 2-nitro-
    • Isonitropropane
    • Dimethylnitromethane
    • Nitroisopropane
    • sec-Nitropropane
    • 2-Nitro-propane
    • Nipar S-20
    • beta-Nitropropane
    • Nipar S-20 solvent
    • Nipar S-30 solvent
    • Isonitro propane
    • Nitropropane, 2-
    • 1-Methylnitroethane
    • RCRA waste number U171
    • NSC 5369
    • CCRIS 453
    • HSDB 1134
    • UNII-GKV234L2QH
    • i-C3H7NO2
    • EINECS 201-209-1
    • GKV234L2QH
    • propane, 2-nitro
    • nipar s-30
    • DTXSID6020981
    • CHEBI:16037
    • AI3-00109
    • NSC-5369
    • 2-NITROPROPANE [MI]
    • DTXCID80981
    • 2-NITROPROPANE [HSDB]
    • 2-NITROPROPANE [IARC]
    • NSC5369
    • EC 201-209-1
    • 2-NITROPROPANE (IARC)
    • iso-Nitropropane
    • RCRA waste no. U171
    • 2nitropropane
    • betaNitropropane
    • 2-nitro propane
    • .beta.-Nitropropane
    • Nipar S20 solvent
    • Nipar S30 solvent
    • MFCD00007397
    • Nipar S20
    • B-NITROPROPANE
    • ?-NITROPROPANE
    • 2-Nitropropane, >=96%
    • WLN: WNY1&1
    • CHEMBL261886
    • 2-Nitropropane (ACGIH:OSHA)
    • NITROPROPANES (2-NITROPANE)
    • Tox21_200365
    • BBL011484
    • c0555
    • STL146596
    • AKOS000119973
    • FN16165
    • CAS-79-46-9
    • USEPA/OPP Pesticide Code: 600029
    • NCGC00091337-01
    • NCGC00091337-02
    • NCGC00257919-01
    • PD094263
    • N0249
    • NS00006722
    • EN300-19734
    • C02116
    • D95323
    • L001273
    • Q209453
    • F0001-2080
    • Z104474978
    • 201-209-1

  • Applications

    2-Nitropropane, CAS 79-46-9, is used as an industrial solvent for coatings, inks, adhesives, and cleaning formulations; as an intermediate in organic synthesis, enabling the preparation of nitrogen-containing compounds; as a precursor in the manufacture of pharmaceutical and agricultural chemical intermediates; and as a processing solvent or building block in polymer and plastics manufacturing, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 201.09
    methanol 320.49
    isopropanol 134.64
    water 50.32
    ethyl acetate 320.07
    n-propanol 134.22
    acetone 609.27
    n-butanol 118.11
    acetonitrile 778.88
    DMF 776.11
    toluene 153.09
    isobutanol 113.27
    1,4-dioxane 353.38
    methyl acetate 493.38
    THF 266.57
    2-butanone 416.77
    n-pentanol 104.62
    sec-butanol 137.68
    n-hexane 32.03
    ethylene glycol 100.77
    NMP 1020.71
    cyclohexane 35.59
    DMSO 638.05
    n-butyl acetate 209.87
    n-octanol 96.78
    chloroform 750.47
    n-propyl acetate 199.87
    acetic acid 619.71
    dichloromethane 809.53
    cyclohexanone 486.88
    propylene glycol 83.35
    isopropyl acetate 173.51
    DMAc 828.31
    2-ethoxyethanol 203.53
    isopentanol 120.76
    n-heptane 17.02
    ethyl formate 326.24
    1,2-dichloroethane 463.55
    n-hexanol 95.98
    2-methoxyethanol 294.17
    isobutyl acetate 96.55
    tetrachloromethane 134.08
    n-pentyl acetate 157.25
    transcutol 649.91
    n-heptanol 60.57
    ethylbenzene 142.61
    MIBK 150.87
    2-propoxyethanol 172.63
    tert-butanol 169.19
    MTBE 185.12
    2-butoxyethanol 120.92
    propionic acid 348.89
    o-xylene 178.87
    formic acid 383.24
    diethyl ether 147.48
    m-xylene 127.08
    p-xylene 233.03
    chlorobenzene 329.56
    dimethyl carbonate 160.07
    n-octane 12.85
    formamide 564.15
    cyclopentanone 516.1
    2-pentanone 256.03
    anisole 261.52
    cyclopentyl methyl ether 155.49
    gamma-butyrolactone 756.95
    1-methoxy-2-propanol 185.78
    pyridine 427.83
    3-pentanone 268.24
    furfural 899.75
    n-dodecane 12.31
    diethylene glycol 162.18
    diisopropyl ether 59.39
    tert-amyl alcohol 182.42
    acetylacetone 435.63
    n-hexadecane 13.76
    acetophenone 373.76
    methyl propionate 277.55
    isopentyl acetate 179.61
    trichloroethylene 1063.38
    n-nonanol 82.87
    cyclohexanol 139.77
    benzyl alcohol 202.9
    2-ethylhexanol 80.18
    isooctanol 55.49
    dipropyl ether 74.07
    1,2-dichlorobenzene 401.21
    ethyl lactate 113.73
    propylene carbonate 464.58
    n-methylformamide 485.69
    2-pentanol 93.51
    n-pentane 25.27
    1-propoxy-2-propanol 119.92
    1-methoxy-2-propyl acetate 183.15
    2-(2-methoxypropoxy) propanol 192.19
    mesitylene 92.8
    ε-caprolactone 472.73
    p-cymene 84.52
    epichlorohydrin 548.01
    1,1,1-trichloroethane 464.59
    2-aminoethanol 133.18
    morpholine-4-carbaldehyde 746.96
    sulfolane 812.8
    2,2,4-trimethylpentane 27.75
    2-methyltetrahydrofuran 282.01
    n-hexyl acetate 255.22
    isooctane 14.59
    2-(2-butoxyethoxy)ethanol 216.7
    sec-butyl acetate 129.3
    tert-butyl acetate 178.62
    decalin 33.13
    glycerin 125.0
    diglyme 421.78
    acrylic acid 421.4
    isopropyl myristate 87.74
    n-butyric acid 276.51
    acetyl acetate 308.05
    di(2-ethylhexyl) phthalate 101.05
    ethyl propionate 191.01
    nitromethane 1440.18
    1,2-diethoxyethane 230.59
    benzonitrile 423.48
    trioctyl phosphate 66.68
    1-bromopropane 197.1
    gamma-valerolactone 739.15
    n-decanol 62.42
    triethyl phosphate 99.28
    4-methyl-2-pentanol 66.64
    propionitrile 294.28
    vinylene carbonate 521.64
    1,1,2-trichlorotrifluoroethane 435.23
    DMS 285.58
    cumene 104.15
    2-octanol 61.26
    2-hexanone 198.63
    octyl acetate 119.06
    limonene 106.82
    1,2-dimethoxyethane 377.9
    ethyl orthosilicate 85.2
    tributyl phosphate 104.22
    diacetone alcohol 201.77
    N,N-dimethylaniline 207.11
    acrylonitrile 530.26
    aniline 180.25
    1,3-propanediol 148.82
    bromobenzene 327.58
    dibromomethane 476.74
    1,1,2,2-tetrachloroethane 715.48
    2-methyl-cyclohexyl acetate 137.07
    tetrabutyl urea 140.71
    diisobutyl methanol 54.77
    2-phenylethanol 156.78
    styrene 179.26
    dioctyl adipate 144.1
    dimethyl sulfate 328.7
    ethyl butyrate 165.22
    methyl lactate 156.92
    butyl lactate 128.74
    diethyl carbonate 138.84
    propanediol butyl ether 156.12
    triethyl orthoformate 102.76
    p-tert-butyltoluene 72.11
    methyl 4-tert-butylbenzoate 204.92
    morpholine 314.27
    tert-butylamine 112.78
    n-dodecanol 48.8
    dimethoxymethane 249.87
    ethylene carbonate 360.94
    cyrene 203.13
    2-ethoxyethyl acetate 241.51
    2-ethylhexyl acetate 152.98
    1,2,4-trichlorobenzene 459.3
    4-methylpyridine 533.97
    dibutyl ether 110.12
    2,6-dimethyl-4-heptanol 54.77
    DEF 403.47
    dimethyl isosorbide 310.19
    tetrachloroethylene 525.94
    eugenol 193.6
    triacetin 296.71
    span 80 151.88
    1,4-butanediol 89.35
    1,1-dichloroethane 457.02
    2-methyl-1-pentanol 123.48
    methyl formate 472.12
    2-methyl-1-butanol 125.93
    n-decane 19.31
    butyronitrile 233.99
    3,7-dimethyl-1-octanol 104.56
    1-chlorooctane 71.43
    1-chlorotetradecane 32.11
    n-nonane 18.8
    undecane 14.91
    tert-butylcyclohexane 29.97
    cyclooctane 14.53
    cyclopentanol 148.04
    tetrahydropyran 195.21
    tert-amyl methyl ether 162.53
    2,5,8-trioxanonane 288.35
    1-hexene 90.65
    2-isopropoxyethanol 135.84
    2,2,2-trifluoroethanol 332.28
    methyl butyrate 277.83

    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