Amyl Nitrite

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  • Identifiers

    CAS number
    110-46-3

    Molecular formula
    C5H11NO2

    SMILES
    CC(C)CCON=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 90.37%
    Green 65.03%
    Ethereal 54.39%
    Sweet 52.94%
    Apple 47.15%
    Winey 40.7%
    Banana 40.32%
    Fermented 38.87%
    Pineapple 35.48%
    Fresh 35.29%

     

    Flavor
    Green 58.95%
    Fruity 48.38%
    Tropical 33.91%
    Ethereal 33.08%
    Oily 27.98%
    Fatty 27.11%
    Cheese 26.07%
    Earthy 25.13%
    Vegetable 24.64%
    Sharp 23.74%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    8.28 (weak base)

    Molecular weight
    117.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point

    • 219 °F at 760 mmHg (NTP, 1992)
    • 205 to 210 °F at 760 mmHg (NTP, 1992)
    • 99.2 °C
    • 97-99 °C

    Flash point

    • 14.83 ˚C est.
    • 50 °F (NTP, 1992)
    • less than 69 °F (NTP, 1992)
    • 3 °C

    Solubility expt.

    • Decomposes (NTP, 1992)
    • less than 0.1 mg/mL at 64 °F (NTP, 1992)
    • MISCIBLE WITH ETHER, ALCOHOL, CHLOROFORM
    • Very slightly soluble in water
    • Solubility in water: none

  • Synonyms

    • ISOAMYL NITRITE
    • Isopentyl nitrite
    • 110-46-3
    • 3-Methylbutyl nitrite
    • Vaporole
    • Amilnitrite
    • Aspiral
    • 3-Methylbutanol nitrite
    • Nitrous acid, 3-methylbutyl ester
    • Pentanoli nitris
    • Nitrous acid, isopentyl ester
    • Amyl nitrite I
    • Isopentyl alcohol, nitrite
    • Nitramyl (VAN)
    • Amyl nitrite (VAN)
    • Amyl nitrit
    • Amyl nitrite [USAN]
    • iso-amyl nitrite
    • NSC 7903
    • Isoamylnitrite
    • CCRIS 1098
    • HSDB 606
    • iso-amylnitrite
    • UNII-5N0U5TUC9Z
    • EINECS 203-770-8
    • 5N0U5TUC9Z
    • Vaporole (TN)
    • Aspiral (TN)
    • BRN 0969510
    • CHEBI:2691
    • DTXSID9025455
    • AI3-25183
    • NSC-7903
    • MFCD00002057
    • DTXCID402605
    • NCI-C50179
    • NCGC00091066-01
    • Amilnitrit
    • CAS-110-46-3
    • isopentylnitrit
    • Amylnitrit
    • isoamyInitrite
    • isopentylnitrite
    • Nitrite, Amyl
    • Nitrous acid 3-methylbutyl ester
    • Isoamyl nitrite 97%, stabilized
    • Vaporole amyl nitrite
    • Isopentyl alcohol nitrite
    • Nitrite Isopentyl alcohol
    • Isopentyl nitrite, 96%
    • WLN: ONO2Y
    • AMYL NITRITE [JAN]
    • 3-methyl-1-nitrosooxybutane
    • isopentyl ester Nitrous acid
    • AMYL NITRITE [HSDB]
    • SCHEMBL23785
    • Amyl nitrite (JP15/USP)
    • Amyl nitrite (JP18/USP)
    • ISOAMYL NITRITE [MI]
    • 3-methyl-1-nitrosooxy-butane
    • AMYL NITRITE (MART.)
    • CHEMBL1535371
    • NSC7903
    • Tox21_111074
    • Tox21_200983
    • AMYL NITRITE (USP MONOGRAPH)
    • STL264239
    • AKOS009157290
    • Isopentyl nitrite, >=97.0% (GC)
    • NCGC00091066-02
    • NCGC00258536-01
    • FI106434
    • LS-13086
    • DB-002757
    • I0089
    • NS00005900
    • EN300-35960
    • C07457
    • D00517
    • SR-01000944365
    • SR-01000944365-1
    • Q27888090
    • F0001-0219
    • Isoamyl nitrite, stab. with 0.2% anhyd. sodium carbonate
    • InChI=1/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H
    • 203-770-8

  • Applications

    Amyl Nitrite, CAS 110-46-3, is primarily used as an intermediate in the synthesis of nitrite esters and related compounds, serving as a source of alkyl nitrite for esterification and nitrosation reactions to form other nitrite derivatives. It is also used as a solvent or reaction medium in specialized chemical processes and is a precursor to other alkyl nitrite derivatives. In industrial sectors such as coatings/inks and polymers, amyl nitrite may be employed as a nitrite-ester related component to tailor formulation properties. Additionally, it may be explored in fragrance chemistry as a potential odorant in research contexts, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 117.48
    methanol 143.43
    isopropanol 71.71
    water 0.81
    ethyl acetate 186.11
    n-propanol 74.97
    acetone 321.14
    n-butanol 65.29
    acetonitrile 160.99
    DMF 437.43
    toluene 47.45
    isobutanol 54.62
    1,4-dioxane 240.17
    methyl acetate 211.14
    THF 485.31
    2-butanone 199.52
    n-pentanol 44.54
    sec-butanol 58.65
    n-hexane 7.74
    ethylene glycol 52.38
    NMP 722.39
    cyclohexane 16.87
    DMSO 528.53
    n-butyl acetate 171.84
    n-octanol 47.13
    chloroform 444.69
    n-propyl acetate 98.87
    acetic acid 355.7
    dichloromethane 455.12
    cyclohexanone 342.95
    propylene glycol 62.67
    isopropyl acetate 118.18
    DMAc 336.09
    2-ethoxyethanol 94.79
    isopentanol 63.72
    n-heptane 7.94
    ethyl formate 132.43
    1,2-dichloroethane 283.95
    n-hexanol 79.09
    2-methoxyethanol 214.76
    isobutyl acetate 62.22
    tetrachloromethane 59.33
    n-pentyl acetate 90.46
    transcutol 677.97
    n-heptanol 35.31
    ethylbenzene 36.91
    MIBK 98.92
    2-propoxyethanol 181.79
    tert-butanol 104.02
    MTBE 69.29
    2-butoxyethanol 94.23
    propionic acid 169.98
    o-xylene 49.02
    formic acid 129.59
    diethyl ether 61.37
    m-xylene 48.05
    p-xylene 56.96
    chlorobenzene 158.8
    dimethyl carbonate 91.57
    n-octane 3.76
    formamide 195.62
    cyclopentanone 512.17
    2-pentanone 153.01
    anisole 111.42
    cyclopentyl methyl ether 148.47
    gamma-butyrolactone 623.89
    1-methoxy-2-propanol 169.2
    pyridine 228.8
    3-pentanone 111.36
    furfural 559.51
    n-dodecane 4.34
    diethylene glycol 175.87
    diisopropyl ether 27.46
    tert-amyl alcohol 77.44
    acetylacetone 307.98
    n-hexadecane 5.03
    acetophenone 148.28
    methyl propionate 158.21
    isopentyl acetate 158.25
    trichloroethylene 714.64
    n-nonanol 43.85
    cyclohexanol 87.55
    benzyl alcohol 85.04
    2-ethylhexanol 61.32
    isooctanol 31.58
    dipropyl ether 54.05
    1,2-dichlorobenzene 207.28
    ethyl lactate 77.68
    propylene carbonate 356.4
    n-methylformamide 207.77
    2-pentanol 43.04
    n-pentane 5.65
    1-propoxy-2-propanol 147.63
    1-methoxy-2-propyl acetate 215.0
    2-(2-methoxypropoxy) propanol 177.49
    mesitylene 37.56
    ε-caprolactone 305.1
    p-cymene 45.12
    epichlorohydrin 550.5
    1,1,1-trichloroethane 286.75
    2-aminoethanol 76.8
    morpholine-4-carbaldehyde 440.65
    sulfolane 839.6
    2,2,4-trimethylpentane 6.41
    2-methyltetrahydrofuran 278.08
    n-hexyl acetate 153.68
    isooctane 5.59
    2-(2-butoxyethoxy)ethanol 215.88
    sec-butyl acetate 71.19
    tert-butyl acetate 159.7
    decalin 13.33
    glycerin 98.47
    diglyme 336.31
    acrylic acid 201.45
    isopropyl myristate 63.97
    n-butyric acid 186.09
    acetyl acetate 188.96
    di(2-ethylhexyl) phthalate 81.22
    ethyl propionate 104.44
    nitromethane 609.75
    1,2-diethoxyethane 126.49
    benzonitrile 142.74
    trioctyl phosphate 53.83
    1-bromopropane 92.79
    gamma-valerolactone 590.87
    n-decanol 34.7
    triethyl phosphate 71.35
    4-methyl-2-pentanol 35.58
    propionitrile 100.72
    vinylene carbonate 304.01
    1,1,2-trichlorotrifluoroethane 383.64
    DMS 185.79
    cumene 32.91
    2-octanol 27.79
    2-hexanone 94.2
    octyl acetate 83.35
    limonene 65.28
    1,2-dimethoxyethane 174.08
    ethyl orthosilicate 59.09
    tributyl phosphate 78.51
    diacetone alcohol 214.93
    N,N-dimethylaniline 80.15
    acrylonitrile 164.5
    aniline 87.56
    1,3-propanediol 103.79
    bromobenzene 156.84
    dibromomethane 242.65
    1,1,2,2-tetrachloroethane 526.55
    2-methyl-cyclohexyl acetate 116.33
    tetrabutyl urea 98.98
    diisobutyl methanol 47.7
    2-phenylethanol 119.48
    styrene 47.48
    dioctyl adipate 117.35
    dimethyl sulfate 196.84
    ethyl butyrate 119.65
    methyl lactate 125.4
    butyl lactate 104.35
    diethyl carbonate 92.18
    propanediol butyl ether 140.59
    triethyl orthoformate 79.4
    p-tert-butyltoluene 48.09
    methyl 4-tert-butylbenzoate 161.9
    morpholine 263.12
    tert-butylamine 56.36
    n-dodecanol 28.07
    dimethoxymethane 169.28
    ethylene carbonate 207.36
    cyrene 171.07
    2-ethoxyethyl acetate 159.65
    2-ethylhexyl acetate 111.91
    1,2,4-trichlorobenzene 263.2
    4-methylpyridine 199.72
    dibutyl ether 56.85
    2,6-dimethyl-4-heptanol 47.7
    DEF 184.29
    dimethyl isosorbide 340.57
    tetrachloroethylene 324.3
    eugenol 160.52
    triacetin 203.94
    span 80 175.23
    1,4-butanediol 40.69
    1,1-dichloroethane 241.03
    2-methyl-1-pentanol 47.76
    methyl formate 188.99
    2-methyl-1-butanol 51.86
    n-decane 5.86
    butyronitrile 92.59
    3,7-dimethyl-1-octanol 66.51
    1-chlorooctane 34.62
    1-chlorotetradecane 16.59
    n-nonane 5.41
    undecane 4.99
    tert-butylcyclohexane 12.24
    cyclooctane 5.44
    cyclopentanol 143.33
    tetrahydropyran 177.5
    tert-amyl methyl ether 56.53
    2,5,8-trioxanonane 260.95
    1-hexene 26.55
    2-isopropoxyethanol 68.26
    2,2,2-trifluoroethanol 136.96
    methyl butyrate 137.47

    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