Amyl Nitrate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    1002-16-0

    Molecular formula
    C5H11NO3

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 74.84%
    Winey 42.94%
    Sweet 39.42%
    Herbal 35.42%
    Ethereal 35.37%
    Green 34.61%
    Apple 34.01%
    Oily 32.95%
    Fermented 29.75%
    Fresh 29.54%

     

    Flavor
    Fruity 45.64%
    Cheese 36.62%
    Green 31.03%
    Fatty 30.53%
    Oily 28.74%
    Sour 28.67%
    Sweat 26.0%
    Waxy 23.76%
    Rancid 23.62%
    Sweaty 22.85%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.68 (neutral)

    Molecular weight
    133.15 g/mol

    Melting point expt.

    • -190 °F (USCG, 1999)

    Boiling point

    • 292 to 314 °F at 760 mmHg (USCG, 1999)
    • 150 °C (unstable)
    • BP: 145 °C

    Flash point

    • 44.65 ˚C est.
    • 120 °F (USCG, 1999)
    • 118 °F (48 °C) - open cup
    • 125 °F (open cup)

    Solubility expt.

    • In water, 360 mg/L at 25 °C
    • In water, 0.3%

  • Synonyms

    • Pentyl nitrate
    • Amyl nitrate
    • 1002-16-0
    • n-Amyl nitrate
    • Nitrate D'amyle
    • NITRIC ACID, PENTYL ESTER
    • n-pentyl nitrate
    • Amylester kyseliny dusicne
    • Nitrate d'amyle [French]
    • Amylester kyseliny dusicne [Czech]
    • EINECS 213-684-2
    • UN1112
    • BRN 1702825
    • Z77A64H8TF
    • AI3-15292
    • DTXSID2058708
    • HSDB 8467
    • 3-01-00-01605 (Beilstein Handbook Reference)
    • Nitrate d'amyle (French)
    • Amylester kyseliny dusicne (Czech)
    • 1-pentyl nitrate
    • UNII-Z77A64H8TF
    • 1Pentyl nitrate
    • Nitrato de amilo
    • Pentyl nitrate #
    • MFCD00059177
    • SCHEMBL44076
    • DIESEL IGNITION IMPROVER
    • nAmyl nitrate, nPentyl nitrate
    • DTXCID2032398
    • Nitrato de amilo (Spanish DOT)
    • MIXED PRIMARY AMYL NITRATES
    • AMYL NITRATE (MIXED ISOMERS)
    • AKOS009031516
    • UN 1112
    • A0453
    • NS00022953
    • Amyl nitrate [UN1112] [Flammable liquid]
    • D88263
    • Q415199
    • InChI=1/C5H11NO3/c1-2-3-4-5-9-6(7)8/h2-5H2,1H
    • 213-684-2

  • Applications

    Amyl Nitrate (CAS 1002-16-0) finds practical use primarily as a reactive intermediate in organic synthesis and as a solvent or processing aid in industrial formulations. It is employed as a solvent in coatings, inks, and adhesive formulations, and can act as a processing aid in related polymer and resin systems. It may be used as a trace odorant or fragrance note in certain specialized formulations. In analytical and laboratory contexts, it serves as a selective solvent for particular reactions and testing procedures. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 728.28
    methanol 1062.23
    isopropanol 405.74
    water 4.83
    ethyl acetate 1270.55
    n-propanol 457.81
    acetone 2641.43
    n-butanol 425.05
    acetonitrile 1384.03
    DMF 5692.5
    toluene 402.19
    isobutanol 319.24
    1,4-dioxane 1168.56
    methyl acetate 1350.37
    THF 2383.36
    2-butanone 1561.08
    n-pentanol 283.92
    sec-butanol 373.81
    n-hexane 37.78
    ethylene glycol 362.31
    NMP 6232.63
    cyclohexane 53.06
    DMSO 8298.74
    n-butyl acetate 681.16
    n-octanol 134.13
    chloroform 1231.34
    n-propyl acetate 580.46
    acetic acid 1602.96
    dichloromethane 2030.47
    cyclohexanone 1890.96
    propylene glycol 380.32
    isopropyl acetate 652.09
    DMAc 3141.44
    2-ethoxyethanol 762.81
    isopentanol 384.5
    n-heptane 17.97
    ethyl formate 811.17
    1,2-dichloroethane 1890.24
    n-hexanol 255.93
    2-methoxyethanol 1667.67
    isobutyl acetate 254.91
    tetrachloromethane 160.98
    n-pentyl acetate 370.6
    transcutol 3984.66
    n-heptanol 97.08
    ethylbenzene 226.57
    MIBK 652.65
    2-propoxyethanol 751.82
    tert-butanol 547.65
    MTBE 503.65
    2-butoxyethanol 342.06
    propionic acid 822.31
    o-xylene 319.12
    formic acid 1033.5
    diethyl ether 504.49
    m-xylene 288.36
    p-xylene 256.7
    chlorobenzene 837.73
    dimethyl carbonate 725.93
    n-octane 7.35
    formamide 2229.24
    cyclopentanone 3170.54
    2-pentanone 1307.18
    anisole 715.97
    cyclopentyl methyl ether 1047.65
    gamma-butyrolactone 3683.3
    1-methoxy-2-propanol 1175.99
    pyridine 1655.44
    3-pentanone 928.99
    furfural 3541.29
    n-dodecane 6.47
    diethylene glycol 773.42
    diisopropyl ether 155.86
    tert-amyl alcohol 506.18
    acetylacetone 2299.36
    n-hexadecane 8.0
    acetophenone 947.66
    methyl propionate 1216.9
    isopentyl acetate 550.7
    trichloroethylene 4034.3
    n-nonanol 118.52
    cyclohexanol 409.31
    benzyl alcohol 540.57
    2-ethylhexanol 156.52
    isooctanol 81.44
    dipropyl ether 176.83
    1,2-dichlorobenzene 987.66
    ethyl lactate 331.38
    propylene carbonate 1596.95
    n-methylformamide 2324.14
    2-pentanol 286.89
    n-pentane 32.57
    1-propoxy-2-propanol 518.14
    1-methoxy-2-propyl acetate 926.06
    2-(2-methoxypropoxy) propanol 672.74
    mesitylene 169.08
    ε-caprolactone 1727.79
    p-cymene 120.61
    epichlorohydrin 3826.31
    1,1,1-trichloroethane 1118.84
    2-aminoethanol 482.81
    morpholine-4-carbaldehyde 3468.9
    sulfolane 6021.82
    2,2,4-trimethylpentane 23.5
    2-methyltetrahydrofuran 1600.9
    n-hexyl acetate 625.89
    isooctane 17.86
    2-(2-butoxyethoxy)ethanol 927.21
    sec-butyl acetate 359.3
    tert-butyl acetate 824.57
    decalin 45.69
    glycerin 599.72
    diglyme 1642.08
    acrylic acid 1084.93
    isopropyl myristate 162.31
    n-butyric acid 921.35
    acetyl acetate 966.65
    di(2-ethylhexyl) phthalate 243.62
    ethyl propionate 591.19
    nitromethane 5286.54
    1,2-diethoxyethane 635.34
    benzonitrile 835.18
    trioctyl phosphate 140.31
    1-bromopropane 561.65
    gamma-valerolactone 3617.25
    n-decanol 86.92
    triethyl phosphate 199.46
    4-methyl-2-pentanol 166.46
    propionitrile 618.72
    vinylene carbonate 1353.13
    1,1,2-trichlorotrifluoroethane 2112.3
    DMS 913.56
    cumene 136.75
    2-octanol 76.14
    2-hexanone 631.6
    octyl acetate 243.65
    limonene 193.68
    1,2-dimethoxyethane 1377.69
    ethyl orthosilicate 155.64
    tributyl phosphate 233.62
    diacetone alcohol 1233.88
    N,N-dimethylaniline 471.47
    acrylonitrile 1249.31
    aniline 619.24
    1,3-propanediol 641.82
    bromobenzene 845.58
    dibromomethane 1040.87
    1,1,2,2-tetrachloroethane 2627.19
    2-methyl-cyclohexyl acetate 326.16
    tetrabutyl urea 324.2
    diisobutyl methanol 102.89
    2-phenylethanol 440.01
    styrene 322.87
    dioctyl adipate 367.28
    dimethyl sulfate 1786.82
    ethyl butyrate 414.65
    methyl lactate 749.03
    butyl lactate 385.25
    diethyl carbonate 283.79
    propanediol butyl ether 590.84
    triethyl orthoformate 211.36
    p-tert-butyltoluene 121.74
    methyl 4-tert-butylbenzoate 520.83
    morpholine 1578.78
    tert-butylamine 265.9
    n-dodecanol 62.67
    dimethoxymethane 1504.23
    ethylene carbonate 900.64
    cyrene 752.79
    2-ethoxyethyl acetate 815.73
    2-ethylhexyl acetate 399.33
    1,2,4-trichlorobenzene 1253.72
    4-methylpyridine 1814.1
    dibutyl ether 195.8
    2,6-dimethyl-4-heptanol 102.89
    DEF 1998.19
    dimethyl isosorbide 1269.5
    tetrachloroethylene 1454.29
    eugenol 552.81
    triacetin 721.83
    span 80 514.02
    1,4-butanediol 248.41
    1,1-dichloroethane 1173.84
    2-methyl-1-pentanol 291.78
    methyl formate 1712.26
    2-methyl-1-butanol 360.63
    n-decane 10.81
    butyronitrile 610.24
    3,7-dimethyl-1-octanol 177.25
    1-chlorooctane 88.47
    1-chlorotetradecane 32.19
    n-nonane 10.58
    undecane 8.18
    tert-butylcyclohexane 32.55
    cyclooctane 19.35
    cyclopentanol 656.53
    tetrahydropyran 861.73
    tert-amyl methyl ether 463.45
    2,5,8-trioxanonane 1123.94
    1-hexene 160.82
    2-isopropoxyethanol 438.97
    2,2,2-trifluoroethanol 629.68
    methyl butyrate 879.88

    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