1-Nitropropane

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  • Identifiers

    CAS number
    108-03-2

    Molecular formula
    C3H7NO2

    SMILES
    CCC[N+](=O)[O-]

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 73.55%
    Cheesy 46.89%
    Buttery 44.17%
    Caramellic 42.3%
    Sweet 42.02%
    Ethereal 35.33%
    Sour 34.65%
    Pungent 32.37%
    Dairy 31.05%
    Fatty 29.71%

     

    Flavor
    Odorless 41.26%
    Sour 28.4%
    Cheese 26.27%
    Acidic 25.74%
    Fruity 23.16%
    Roquefort cheese 20.57%
    Sweet 20.52%
    Stinky 20.35%
    Pungent 20.31%
    Acetoin 20.3%

     

    Odor impact est.
    High

    Odor threshold

    • Odor Threshold Low: 7.7 [mmHg]. Odor Threshold High: 140.0 [mmHg]. Detection odor threshold from AIHA (mean = 140 ppm)
    • The AIHA Hygienic Guide states that the odor (of nitropropane) is detectable at 300 ppm but not at 80 ppm.
    • Air odor threshold= 11 ppm (40 mg/cu m)
    • The air odor threshold for 1-nitropropane is reported as 11 ppm. The water odor threshold for 1-nitropropane is reported as 12 ppm.

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    8.58 (weak base)

    Molecular weight
    89.09 g/mol

    Melting point expt.

    • -162 °F (NTP, 1992)
    • -104.3 °C
    • -108 °C
    • -162 °F

    Boiling point

    • 270 °F at 760 mmHg (NTP, 1992)
    • 131.2 °C
    • 132 °C
    • 269 °F

    Flash point

    • 27.25 ˚C est.
    • 93 °F (NTP, 1992)
    • 36 °C
    • 36 °C, 96 °F (closed cup)
    • 93 °F (34 °C) - open cup
    • 120 °F open cup (commercial grade)
    • 96 °F

    Solubility expt.

    • Slightly soluble (NTP, 1992)
    • In water, 1.50X10+4 mg/L at 25 °C
    • Slightly soluble in water (1.4 mL/100 mL)
    • Slightly soluble in water
    • Miscible with ethanol, ethyl ether; soluble in chloroform
    • Solubility in water, g/100ml: 1.4
    • 1%

  • Synonyms

    • 1-NITROPROPANE
    • 108-03-2
    • Propane, 1-nitro-
    • Nitropropane
    • Nitropropane, 1-
    • CCRIS 1329
    • N-Nitropropane
    • 3-nitropropane
    • HSDB 2526
    • 1-nitro-propane
    • 1-Nitropan
    • NSC 6363
    • EINECS 203-544-9
    • DTXSID1020980
    • UNII-39W305OW99
    • CHEBI:76261
    • AI3-02264
    • NiPar S-10
    • NSC-6363
    • 25322-01-4
    • 39W305OW99
    • n-C3H7NO2
    • 1-NITROPROPANE [MI]
    • Propane, nitro-
    • DTXCID50980
    • 1-NITROPROPANE [HSDB]
    • EC 203-544-9
    • CAS-108-03-2
    • 1nitropropane
    • nitro-propane
    • MFCD00007407
    • WLN: WN3
    • 1-NITROPROPANE [INCI]
    • 1-Nitropropane, >=98.5%
    • 1-Nitropropane (ACGIH:OSHA)
    • CHEMBL1449933
    • NSC6363
    • 1-Nitropropane, analytical standard
    • Tox21_202289
    • Tox21_303024
    • BBL011437
    • STL146545
    • AKOS005720804
    • NCGC00091712-01
    • NCGC00091712-02
    • NCGC00256466-01
    • NCGC00259838-01
    • DB-059679
    • N0248
    • NS00008038
    • EN300-42942
    • D97683
    • A801795
    • Q2567814
    • F0001-0158
    • 203-544-9
    • N1P

  • Applications

    1-Nitropropane is primarily used as an industrial solvent for coatings, inks, and adhesives, and also serves as a processing solvent in polymer and plastics manufacturing. It is a common intermediate that can be hydrogenated to 1-aminopropane (propylamine), a building block for amine-based intermediates used in pharmaceuticals, agrochemicals, and surfactants. In addition, it is used as a cleaning/degreasing solvent in manufacturing environments and may be encountered as a precursor in other specialty chemical syntheses.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 352.81
    methanol 501.54
    isopropanol 241.92
    water 39.56
    ethyl acetate 618.55
    n-propanol 264.08
    acetone 992.91
    n-butanol 250.25
    acetonitrile 1019.17
    DMF 1253.1
    toluene 194.16
    isobutanol 205.57
    1,4-dioxane 524.86
    methyl acetate 711.75
    THF 564.54
    2-butanone 637.65
    n-pentanol 191.88
    sec-butanol 253.77
    n-hexane 45.89
    ethylene glycol 219.34
    NMP 1733.55
    cyclohexane 84.0
    DMSO 1091.74
    n-butyl acetate 379.24
    n-octanol 191.09
    chloroform 1223.2
    n-propyl acetate 303.05
    acetic acid 2423.76
    dichloromethane 1239.87
    cyclohexanone 924.18
    propylene glycol 218.05
    isopropyl acetate 292.84
    DMAc 1002.58
    2-ethoxyethanol 321.34
    isopentanol 203.56
    n-heptane 30.34
    ethyl formate 496.2
    1,2-dichloroethane 791.96
    n-hexanol 192.68
    2-methoxyethanol 574.48
    isobutyl acetate 144.51
    tetrachloromethane 116.2
    n-pentyl acetate 273.0
    transcutol 1554.73
    n-heptanol 97.02
    ethylbenzene 151.17
    MIBK 232.78
    2-propoxyethanol 350.47
    tert-butanol 275.99
    MTBE 185.7
    2-butoxyethanol 199.84
    propionic acid 811.35
    o-xylene 199.96
    formic acid 920.61
    diethyl ether 227.67
    m-xylene 160.58
    p-xylene 208.5
    chlorobenzene 564.88
    dimethyl carbonate 263.56
    n-octane 18.23
    formamide 964.55
    cyclopentanone 937.3
    2-pentanone 453.86
    anisole 333.46
    cyclopentyl methyl ether 311.3
    gamma-butyrolactone 1334.78
    1-methoxy-2-propanol 385.97
    pyridine 803.32
    3-pentanone 412.41
    furfural 1571.63
    n-dodecane 19.84
    diethylene glycol 384.26
    diisopropyl ether 82.68
    tert-amyl alcohol 268.26
    acetylacetone 751.94
    n-hexadecane 22.46
    acetophenone 501.94
    methyl propionate 510.96
    isopentyl acetate 281.01
    trichloroethylene 2065.6
    n-nonanol 160.66
    cyclohexanol 342.02
    benzyl alcohol 311.88
    2-ethylhexanol 143.74
    isooctanol 82.09
    dipropyl ether 127.81
    1,2-dichlorobenzene 708.91
    ethyl lactate 207.75
    propylene carbonate 792.77
    n-methylformamide 820.19
    2-pentanol 193.84
    n-pentane 40.11
    1-propoxy-2-propanol 265.62
    1-methoxy-2-propyl acetate 363.19
    2-(2-methoxypropoxy) propanol 380.11
    mesitylene 115.26
    ε-caprolactone 907.6
    p-cymene 107.76
    epichlorohydrin 1013.26
    1,1,1-trichloroethane 634.55
    2-aminoethanol 267.5
    morpholine-4-carbaldehyde 1255.53
    sulfolane 1554.78
    2,2,4-trimethylpentane 27.79
    2-methyltetrahydrofuran 500.29
    n-hexyl acetate 544.27
    isooctane 18.06
    2-(2-butoxyethoxy)ethanol 490.72
    sec-butyl acetate 182.02
    tert-butyl acetate 297.56
    decalin 50.63
    glycerin 348.68
    diglyme 672.74
    acrylic acid 1117.31
    isopropyl myristate 170.47
    n-butyric acid 709.33
    acetyl acetate 593.52
    di(2-ethylhexyl) phthalate 190.67
    ethyl propionate 326.75
    nitromethane 3144.24
    1,2-diethoxyethane 350.91
    benzonitrile 635.12
    trioctyl phosphate 130.45
    1-bromopropane 318.28
    gamma-valerolactone 1339.27
    n-decanol 120.08
    triethyl phosphate 144.73
    4-methyl-2-pentanol 105.66
    propionitrile 451.09
    vinylene carbonate 931.12
    1,1,2-trichlorotrifluoroethane 992.95
    DMS 555.57
    cumene 110.25
    2-octanol 100.23
    2-hexanone 310.04
    octyl acetate 249.72
    limonene 150.43
    1,2-dimethoxyethane 472.56
    ethyl orthosilicate 118.3
    tributyl phosphate 207.38
    diacetone alcohol 382.01
    N,N-dimethylaniline 243.37
    acrylonitrile 854.5
    aniline 328.61
    1,3-propanediol 332.13
    bromobenzene 520.89
    dibromomethane 708.61
    1,1,2,2-tetrachloroethane 1236.97
    2-methyl-cyclohexyl acetate 222.81
    tetrabutyl urea 271.88
    diisobutyl methanol 87.94
    2-phenylethanol 291.47
    styrene 218.8
    dioctyl adipate 285.45
    dimethyl sulfate 531.46
    ethyl butyrate 256.2
    methyl lactate 351.04
    butyl lactate 269.77
    diethyl carbonate 198.4
    propanediol butyl ether 366.75
    triethyl orthoformate 148.68
    p-tert-butyltoluene 95.04
    methyl 4-tert-butylbenzoate 346.9
    morpholine 588.14
    tert-butylamine 159.03
    n-dodecanol 94.3
    dimethoxymethane 372.26
    ethylene carbonate 635.61
    cyrene 340.75
    2-ethoxyethyl acetate 392.04
    2-ethylhexyl acetate 218.18
    1,2,4-trichlorobenzene 781.19
    4-methylpyridine 814.33
    dibutyl ether 211.65
    2,6-dimethyl-4-heptanol 87.94
    DEF 663.9
    dimethyl isosorbide 531.06
    tetrachloroethylene 777.32
    eugenol 382.15
    triacetin 567.43
    span 80 352.23
    1,4-butanediol 159.46
    1,1-dichloroethane 654.63
    2-methyl-1-pentanol 182.07
    methyl formate 727.45
    2-methyl-1-butanol 213.95
    n-decane 30.75
    butyronitrile 384.95
    3,7-dimethyl-1-octanol 190.34
    1-chlorooctane 131.25
    1-chlorotetradecane 57.16
    n-nonane 30.64
    undecane 23.78
    tert-butylcyclohexane 40.77
    cyclooctane 28.68
    cyclopentanol 353.05
    tetrahydropyran 414.06
    tert-amyl methyl ether 182.38
    2,5,8-trioxanonane 530.98
    1-hexene 144.05
    2-isopropoxyethanol 201.16
    2,2,2-trifluoroethanol 738.15
    methyl butyrate 432.57

    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