Isopropyl nitrate

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  • Identifiers

    CAS number
    1712-64-7

    Molecular formula
    C3H7NO3

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

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 72.59%
    Ethereal 39.91%
    Sour 31.38%
    Winey 30.87%
    Odorless 28.15%
    Sharp 25.88%
    Buttery 25.68%
    Apple 25.55%
    Sweet 25.35%
    Fermented 25.29%

     

    Flavor
    Fruity 60.02%
    Odorless 35.67%
    Sour 26.01%
    Cheese 24.43%
    Tropical 22.59%
    Stinky 21.03%
    Mild 20.91%
    Roquefort cheese 20.53%
    Marshmallow 20.0%
    Dried berry 19.95%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    7.42 (neutral)

    Molecular weight
    105.09 g/mol

    Flash point

    • 16.84 ˚C est.

  • Synonyms

    • ISOPROPYL NITRATE
    • 1712-64-7
    • propan-2-yl nitrate
    • Nitric acid, 1-methylethyl ester
    • Nitric acid, isopropyl ester
    • 2-propyl nitrate
    • Isopropylester kyseliny dusicne
    • EINECS 216-983-6
    • UPE48E4UJ4
    • NSC 88934
    • UN1222
    • (CH3)2CHONO2
    • Isopropylester kyseliny dusicne [Czech]
    • BRN 1701405
    • NITRIC ACID ISOPROPYL ESTER
    • NSC-88934
    • DTXSID5061908
    • GAPFWGOSHOCNBM-UHFFFAOYSA-
    • 4-01-00-01475 (Beilstein Handbook Reference)
    • UN 1222
    • Isopropylnitrate
    • 2Propyl nitrate
    • Iso-propylnitrate
    • iso- propylnitrate
    • 2-nitrooxy-propane
    • UNII-UPE48E4UJ4
    • WLN: WNOY1&1
    • SCHEMBL145757
    • nitric acid propan-2-yl ester
    • CHEMBL401410
    • Nitric acid, 1methylethyl ester
    • DTXCID2035483
    • NSC88934
    • MFCD00007041
    • AKOS015918342
    • AB00827
    • BS-42208
    • DB-043858
    • NS00021743
    • A811312
    • Isopropyl nitrate [UN1222] [Flammable liquid]
    • Q905731
    • 216-983-6

  • Applications

    Isopropyl nitrate is mainly used as a chemical intermediate and solvent in specialty organic synthesis and formulation work. In industry, it may serve as a solvent for coatings, inks, and adhesive formulations, and as a reactive intermediate for preparing other nitro or nitrate esters. It can function as a plasticizer or processing aid for certain polymer and nitrocellulose-based systems, and is sometimes evaluated for cleaning and degreasing formulations. In energetic materials contexts, alkyl nitrates such as isopropyl nitrate are investigated as liquid oxidizers or components in propellant formulations under controlled conditions and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 198.57
    methanol 238.34
    isopropanol 157.83
    water 14.52
    ethyl acetate 279.95
    n-propanol 143.78
    acetone 504.03
    n-butanol 126.55
    acetonitrile 333.35
    DMF 895.64
    toluene 68.53
    isobutanol 97.88
    1,4-dioxane 302.74
    methyl acetate 310.85
    THF 452.66
    2-butanone 289.94
    n-pentanol 97.62
    sec-butanol 134.64
    n-hexane 16.44
    ethylene glycol 107.74
    NMP 1010.73
    cyclohexane 17.3
    DMSO 745.66
    n-butyl acetate 125.78
    n-octanol 75.54
    chloroform 269.21
    n-propyl acetate 133.46
    acetic acid 979.85
    dichloromethane 310.85
    cyclohexanone 320.26
    propylene glycol 150.96
    isopropyl acetate 162.32
    DMAc 639.44
    2-ethoxyethanol 197.45
    isopentanol 104.1
    n-heptane 9.72
    ethyl formate 210.3
    1,2-dichloroethane 231.61
    n-hexanol 93.43
    2-methoxyethanol 389.53
    isobutyl acetate 64.9
    tetrachloromethane 20.69
    n-pentyl acetate 97.52
    transcutol 530.93
    n-heptanol 43.95
    ethylbenzene 50.59
    MIBK 138.4
    2-propoxyethanol 221.35
    tert-butanol 199.86
    MTBE 114.11
    2-butoxyethanol 98.55
    propionic acid 315.23
    o-xylene 66.4
    formic acid 314.26
    diethyl ether 128.22
    m-xylene 65.07
    p-xylene 63.63
    chlorobenzene 142.85
    dimethyl carbonate 147.8
    n-octane 6.19
    formamide 360.87
    cyclopentanone 465.53
    2-pentanone 242.8
    anisole 140.96
    cyclopentyl methyl ether 191.64
    gamma-butyrolactone 678.57
    1-methoxy-2-propanol 321.75
    pyridine 265.84
    3-pentanone 183.15
    furfural 592.46
    n-dodecane 7.79
    diethylene glycol 214.83
    diisopropyl ether 46.58
    tert-amyl alcohol 162.98
    acetylacetone 394.86
    n-hexadecane 8.37
    acetophenone 183.84
    methyl propionate 254.99
    isopentyl acetate 104.53
    trichloroethylene 484.21
    n-nonanol 68.64
    cyclohexanol 138.91
    benzyl alcohol 127.71
    2-ethylhexanol 57.87
    isooctanol 36.11
    dipropyl ether 58.95
    1,2-dichlorobenzene 162.34
    ethyl lactate 111.92
    propylene carbonate 399.51
    n-methylformamide 403.87
    2-pentanol 105.12
    n-pentane 16.14
    1-propoxy-2-propanol 147.04
    1-methoxy-2-propyl acetate 173.8
    2-(2-methoxypropoxy) propanol 182.66
    mesitylene 42.11
    ε-caprolactone 367.78
    p-cymene 35.97
    epichlorohydrin 491.05
    1,1,1-trichloroethane 183.71
    2-aminoethanol 153.23
    morpholine-4-carbaldehyde 699.61
    sulfolane 880.79
    2,2,4-trimethylpentane 11.44
    2-methyltetrahydrofuran 329.65
    n-hexyl acetate 189.23
    isooctane 7.84
    2-(2-butoxyethoxy)ethanol 223.91
    sec-butyl acetate 89.4
    tert-butyl acetate 185.13
    decalin 14.96
    glycerin 211.52
    diglyme 278.58
    acrylic acid 391.07
    isopropyl myristate 71.31
    n-butyric acid 288.34
    acetyl acetate 236.7
    di(2-ethylhexyl) phthalate 84.38
    ethyl propionate 157.17
    nitromethane 1267.75
    1,2-diethoxyethane 136.19
    benzonitrile 184.16
    trioctyl phosphate 60.97
    1-bromopropane 109.07
    gamma-valerolactone 683.42
    n-decanol 55.55
    triethyl phosphate 61.33
    4-methyl-2-pentanol 63.83
    propionitrile 166.94
    vinylene carbonate 372.8
    1,1,2-trichlorotrifluoroethane 380.21
    DMS 197.04
    cumene 41.92
    2-octanol 42.32
    2-hexanone 139.15
    octyl acetate 100.39
    limonene 49.45
    1,2-dimethoxyethane 283.19
    ethyl orthosilicate 49.39
    tributyl phosphate 82.51
    diacetone alcohol 260.87
    N,N-dimethylaniline 108.91
    acrylonitrile 297.57
    aniline 117.65
    1,3-propanediol 189.96
    bromobenzene 119.47
    dibromomethane 180.61
    1,1,2,2-tetrachloroethane 341.08
    2-methyl-cyclohexyl acetate 90.46
    tetrabutyl urea 110.48
    diisobutyl methanol 38.58
    2-phenylethanol 123.15
    styrene 60.69
    dioctyl adipate 111.25
    dimethyl sulfate 297.57
    ethyl butyrate 100.87
    methyl lactate 204.4
    butyl lactate 104.07
    diethyl carbonate 75.4
    propanediol butyl ether 166.57
    triethyl orthoformate 62.6
    p-tert-butyltoluene 36.39
    methyl 4-tert-butylbenzoate 159.79
    morpholine 349.7
    tert-butylamine 100.12
    n-dodecanol 45.03
    dimethoxymethane 301.29
    ethylene carbonate 256.42
    cyrene 209.14
    2-ethoxyethyl acetate 153.84
    2-ethylhexyl acetate 77.37
    1,2,4-trichlorobenzene 202.81
    4-methylpyridine 293.91
    dibutyl ether 70.31
    2,6-dimethyl-4-heptanol 38.58
    DEF 321.31
    dimethyl isosorbide 280.23
    tetrachloroethylene 169.94
    eugenol 171.0
    triacetin 212.0
    span 80 170.25
    1,4-butanediol 87.25
    1,1-dichloroethane 221.85
    2-methyl-1-pentanol 86.46
    methyl formate 377.52
    2-methyl-1-butanol 100.51
    n-decane 11.26
    butyronitrile 153.53
    3,7-dimethyl-1-octanol 79.63
    1-chlorooctane 46.22
    1-chlorotetradecane 23.01
    n-nonane 10.29
    undecane 9.1
    tert-butylcyclohexane 14.59
    cyclooctane 7.29
    cyclopentanol 192.85
    tetrahydropyran 213.8
    tert-amyl methyl ether 113.07
    2,5,8-trioxanonane 242.95
    1-hexene 52.24
    2-isopropoxyethanol 127.47
    2,2,2-trifluoroethanol 288.42
    methyl butyrate 191.25

    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