Isoamyl nitrate

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  • Identifiers

    CAS number
    543-87-3

    Molecular formula
    C5H11NO3

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 68.56%
    Winey 39.59%
    Green 33.83%
    Sweet 33.6%
    Herbal 33.2%
    Fermented 30.99%
    Sour 30.54%
    Apple 30.54%
    Ethereal 30.31%
    Oily 29.49%

     

    Flavor
    Fruity 57.77%
    Green 31.2%
    Cheese 30.11%
    Tropical 26.44%
    Sour 25.78%
    Odorless 23.77%
    Animal 22.84%
    Oily 22.53%
    Sweaty 21.62%
    Stinky 21.32%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.02 (neutral)

    Molecular weight
    133.15 g/mol

    Flash point

    • 48.9 ˚C est.

  • Synonyms

    • Isoamyl nitrate
    • 543-87-3
    • 3-Methylbutyl nitrate
    • Isopentyl nitrate
    • iso-Pentyl nitrate
    • Iso-amyl nitrate
    • iso-Amylnitrate
    • Nitrito d'amile
    • 1-Butanol, 3-methyl-, nitrate
    • Nitrito d'amile [Italian]
    • 3-Methyl-1-butanol nitrate
    • ISOPENTYL ALCOHOL, NITRATE
    • UNII-7ARR7RA61E
    • EINECS 208-852-7
    • 7ARR7RA61E
    • BRN 1702824
    • 3-Methyl-1-butanol 1-nitrate
    • ISOAMYL NITRATE [MI]
    • NTHGIYFSMNNHSC-UHFFFAOYSA-
    • DTXSID70110029
    • 4-01-00-01683 (Beilstein Handbook Reference)
    • Isoamylnitrate
    • isoamylnitrat
    • iso-amyl-nitrate
    • 3Methylbutyl nitrate
    • MFCD00007042
    • 3Methyl1butanol nitrate
    • nitric acid isopentyl ester
    • 1Butanol, 3methyl, nitrate
    • 1Butanol, 3methyl, 1nitrate
    • SCHEMBL287823
    • DTXCID4065284
    • 1-Butanol, 3-methyl-, 1-nitrate
    • AKOS006230622
    • BS-23580
    • DB-052557
    • I0088
    • NS00033065
    • D91078
    • Q27266852

  • Applications

    Isoamyl nitrate is used primarily as a plasticizer for nitrocellulose-based materials and as an energetic component in propellants and explosives; it also serves as a solvent and additive in industrial coatings, paints, and industrial printing inks to improve flexibility and resin compatibility; it is a precursor or intermediate in the synthesis of nitrate esters and related nitration chemistry; it may be considered as a processing aid or additive in polymer and adhesive formulations, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 203.47
    methanol 260.36
    isopropanol 118.14
    water 2.89
    ethyl acetate 278.4
    n-propanol 117.86
    acetone 465.82
    n-butanol 107.05
    acetonitrile 244.17
    DMF 837.14
    toluene 31.68
    isobutanol 83.59
    1,4-dioxane 289.81
    methyl acetate 324.92
    THF 653.55
    2-butanone 319.32
    n-pentanol 71.84
    sec-butanol 99.43
    n-hexane 4.4
    ethylene glycol 93.95
    NMP 1226.47
    cyclohexane 6.19
    DMSO 876.27
    n-butyl acetate 192.56
    n-octanol 51.27
    chloroform 237.8
    n-propyl acetate 133.49
    acetic acid 483.4
    dichloromethane 308.29
    cyclohexanone 390.15
    propylene glycol 115.31
    isopropyl acetate 168.18
    DMAc 611.27
    2-ethoxyethanol 181.61
    isopentanol 104.91
    n-heptane 4.43
    ethyl formate 202.64
    1,2-dichloroethane 252.56
    n-hexanol 100.62
    2-methoxyethanol 428.91
    isobutyl acetate 70.56
    tetrachloromethane 27.62
    n-pentyl acetate 100.49
    transcutol 721.27
    n-heptanol 42.91
    ethylbenzene 29.49
    MIBK 153.7
    2-propoxyethanol 268.76
    tert-butanol 172.92
    MTBE 94.74
    2-butoxyethanol 128.98
    propionic acid 241.93
    o-xylene 40.33
    formic acid 247.96
    diethyl ether 76.71
    m-xylene 36.02
    p-xylene 42.89
    chlorobenzene 115.69
    dimethyl carbonate 138.49
    n-octane 2.25
    formamide 422.69
    cyclopentanone 659.54
    2-pentanone 239.45
    anisole 123.57
    cyclopentyl methyl ether 174.06
    gamma-butyrolactone 875.85
    1-methoxy-2-propanol 325.94
    pyridine 235.7
    3-pentanone 160.01
    furfural 748.99
    n-dodecane 2.66
    diethylene glycol 273.0
    diisopropyl ether 32.63
    tert-amyl alcohol 137.73
    acetylacetone 457.77
    n-hexadecane 3.0
    acetophenone 180.95
    methyl propionate 252.42
    isopentyl acetate 175.44
    trichloroethylene 578.06
    n-nonanol 47.82
    cyclohexanol 96.86
    benzyl alcohol 109.09
    2-ethylhexanol 67.28
    isooctanol 35.85
    dipropyl ether 48.93
    1,2-dichlorobenzene 157.22
    ethyl lactate 105.97
    propylene carbonate 453.99
    n-methylformamide 396.61
    2-pentanol 73.34
    n-pentane 4.1
    1-propoxy-2-propanol 192.57
    1-methoxy-2-propyl acetate 267.89
    2-(2-methoxypropoxy) propanol 211.47
    mesitylene 28.08
    ε-caprolactone 389.27
    p-cymene 36.03
    epichlorohydrin 750.08
    1,1,1-trichloroethane 194.28
    2-aminoethanol 136.4
    morpholine-4-carbaldehyde 713.11
    sulfolane 1202.41
    2,2,4-trimethylpentane 4.86
    2-methyltetrahydrofuran 372.21
    n-hexyl acetate 166.73
    isooctane 3.94
    2-(2-butoxyethoxy)ethanol 274.87
    sec-butyl acetate 93.73
    tert-butyl acetate 232.75
    decalin 7.38
    glycerin 173.77
    diglyme 393.97
    acrylic acid 271.33
    isopropyl myristate 64.63
    n-butyric acid 270.82
    acetyl acetate 237.48
    di(2-ethylhexyl) phthalate 92.31
    ethyl propionate 144.47
    nitromethane 1023.44
    1,2-diethoxyethane 137.27
    benzonitrile 149.07
    trioctyl phosphate 61.04
    1-bromopropane 71.21
    gamma-valerolactone 846.06
    n-decanol 37.47
    triethyl phosphate 74.22
    4-methyl-2-pentanol 53.82
    propionitrile 128.75
    vinylene carbonate 367.36
    1,1,2-trichlorotrifluoroethane 463.63
    DMS 212.15
    cumene 28.18
    2-octanol 31.96
    2-hexanone 130.68
    octyl acetate 92.88
    limonene 53.3
    1,2-dimethoxyethane 274.72
    ethyl orthosilicate 59.71
    tributyl phosphate 87.31
    diacetone alcohol 366.69
    N,N-dimethylaniline 88.21
    acrylonitrile 224.91
    aniline 89.22
    1,3-propanediol 195.62
    bromobenzene 95.37
    dibromomethane 148.26
    1,1,2,2-tetrachloroethane 421.55
    2-methyl-cyclohexyl acetate 119.04
    tetrabutyl urea 112.09
    diisobutyl methanol 46.56
    2-phenylethanol 137.81
    styrene 33.83
    dioctyl adipate 125.71
    dimethyl sulfate 313.97
    ethyl butyrate 130.9
    methyl lactate 200.98
    butyl lactate 116.64
    diethyl carbonate 96.94
    propanediol butyl ether 173.1
    triethyl orthoformate 78.13
    p-tert-butyltoluene 38.1
    methyl 4-tert-butylbenzoate 186.87
    morpholine 350.35
    tert-butylamine 73.4
    n-dodecanol 28.95
    dimethoxymethane 291.93
    ethylene carbonate 252.76
    cyrene 250.89
    2-ethoxyethyl acetate 185.67
    2-ethylhexyl acetate 122.12
    1,2,4-trichlorobenzene 202.01
    4-methylpyridine 220.64
    dibutyl ether 47.7
    2,6-dimethyl-4-heptanol 46.56
    DEF 305.64
    dimethyl isosorbide 409.87
    tetrachloroethylene 232.41
    eugenol 185.69
    triacetin 214.07
    span 80 188.56
    1,4-butanediol 74.07
    1,1-dichloroethane 179.67
    2-methyl-1-pentanol 72.92
    methyl formate 346.8
    2-methyl-1-butanol 87.47
    n-decane 3.5
    butyronitrile 125.68
    3,7-dimethyl-1-octanol 67.04
    1-chlorooctane 24.51
    1-chlorotetradecane 11.92
    n-nonane 3.0
    undecane 3.06
    tert-butylcyclohexane 7.14
    cyclooctane 2.49
    cyclopentanol 175.03
    tetrahydropyran 172.55
    tert-amyl methyl ether 85.25
    2,5,8-trioxanonane 322.92
    1-hexene 20.48
    2-isopropoxyethanol 115.87
    2,2,2-trifluoroethanol 199.84
    methyl butyrate 198.29

    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