n-Butyl nitrite

Overview IFRA Request a quote

  • Identifiers

    CAS number
    544-16-1

    Molecular formula
    C4H9NO2

    SMILES
    CCCCON=O

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

  • Odor profile

    Fragrance
    Fruity 94.16%
    Ethereal 67.29%
    Sweet 61.68%
    Green 48.93%
    Winey 44.95%
    Rummy 44.24%
    Pineapple 43.34%
    Apple 43.28%
    Fermented 41.23%
    Banana 40.86%

     

    Flavor
    Fruity 44.2%
    Green 35.87%
    Ethereal 33.64%
    Sweet 28.64%
    Fatty 27.91%
    Earthy 27.55%
    Vegetable 26.38%
    Pungent 25.83%
    Fruit 25.67%
    Rum 24.51%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    8.49 (weak base)

    Molecular weight
    103.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    81°C

    Flash point

    • 3.41 ˚C est.

  • Synonyms

    • Butyl nitrite
    • 544-16-1
    • N-BUTYL NITRITE
    • 1-Butyl nitrite
    • Nitrous acid, butyl ester
    • Nitrous Acid Butyl Ester
    • Nitrous acid, n-butyl ester
    • N-Butylnitrite
    • NCI-C56553
    • NSC 8426
    • CCRIS 838
    • Butylnitrite
    • EINECS 208-862-1
    • BRN 1701036
    • 44P8QG0F3T
    • AI3-15310
    • NSC-8426
    • n-C4H9ONO
    • Butyl ester of nitrous acid
    • N-BUTYL NITRITE [MI]
    • BUTYL NITRITE [MART.]
    • DTXSID8049418
    • JQJPBYFTQAANLE-UHFFFAOYSA-
    • BUTYL NITRITE (MART.)
    • NBN
    • NSC 8426; n-Butyl Nitrite; Nitrous Acid, Butyl Ester
    • UNII-44P8QG0F3T
    • MFCD00002058
    • Butyl nitrite, 95%
    • Butyl nitrite(Technical)
    • Nitrous acid, nbutyl ester
    • SCHEMBL166345
    • CHEMBL3181968
    • DTXCID7029378
    • NSC8426
    • CHEBI:173360
    • Tox21_202927
    • STL280334
    • AKOS015995388
    • UN 2351
    • NCGC00260473-01
    • BP-20316
    • CAS-544-16-1
    • LS-13006
    • DB-000272
    • N0376
    • NS00033079
    • A830171
    • Q3342208
    • 208-862-1

  • Applications

    n-Butyl nitrite (CAS 544-16-1) is primarily used in industrial manufacturing as a reagent and intermediate for the preparation of nitrite esters and related specialty chemicals; it may serve as a volatile solvent or processing aid in coatings and inks; it can function as a reactive diluent or precursor in certain polymers and plastics formulations; it is sometimes employed in adhesive formulations as a solvent or formulation component; in laboratory settings it is used as a reagent for nitrosation chemistry and for preparing other alkyl nitrite derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 227.59
    methanol 337.42
    isopropanol 138.46
    water 0.98
    ethyl acetate 382.03
    n-propanol 142.93
    acetone 729.67
    n-butanol 127.61
    acetonitrile 439.49
    DMF 1234.68
    toluene 108.47
    isobutanol 102.57
    1,4-dioxane 494.86
    methyl acetate 455.15
    THF 768.1
    2-butanone 404.32
    n-pentanol 95.33
    sec-butanol 112.66
    n-hexane 15.66
    ethylene glycol 105.13
    NMP 1465.26
    cyclohexane 41.74
    DMSO 1629.76
    n-butyl acetate 303.03
    n-octanol 86.77
    chloroform 787.83
    n-propyl acetate 197.39
    acetic acid 786.75
    dichloromethane 1029.88
    cyclohexanone 702.5
    propylene glycol 101.55
    isopropyl acetate 217.21
    DMAc 733.9
    2-ethoxyethanol 200.87
    isopentanol 125.16
    n-heptane 13.98
    ethyl formate 293.52
    1,2-dichloroethane 737.05
    n-hexanol 115.74
    2-methoxyethanol 437.49
    isobutyl acetate 107.84
    tetrachloromethane 90.02
    n-pentyl acetate 173.84
    transcutol 1512.07
    n-heptanol 56.23
    ethylbenzene 74.93
    MIBK 181.43
    2-propoxyethanol 263.58
    tert-butanol 178.14
    MTBE 133.19
    2-butoxyethanol 153.34
    propionic acid 328.88
    o-xylene 99.13
    formic acid 282.56
    diethyl ether 137.37
    m-xylene 89.7
    p-xylene 108.65
    chlorobenzene 355.49
    dimethyl carbonate 173.7
    n-octane 7.41
    formamide 485.43
    cyclopentanone 955.34
    2-pentanone 322.19
    anisole 213.0
    cyclopentyl methyl ether 268.53
    gamma-butyrolactone 1182.25
    1-methoxy-2-propanol 301.7
    pyridine 573.1
    3-pentanone 232.95
    furfural 1208.26
    n-dodecane 8.6
    diethylene glycol 275.07
    diisopropyl ether 51.27
    tert-amyl alcohol 147.32
    acetylacetone 639.29
    n-hexadecane 10.14
    acetophenone 286.95
    methyl propionate 328.37
    isopentyl acetate 259.95
    trichloroethylene 1630.78
    n-nonanol 75.56
    cyclohexanol 165.88
    benzyl alcohol 163.54
    2-ethylhexanol 90.51
    isooctanol 49.12
    dipropyl ether 87.65
    1,2-dichlorobenzene 418.47
    ethyl lactate 118.87
    propylene carbonate 596.08
    n-methylformamide 504.48
    2-pentanol 89.86
    n-pentane 12.97
    1-propoxy-2-propanol 207.57
    1-methoxy-2-propyl acetate 318.04
    2-(2-methoxypropoxy) propanol 275.23
    mesitylene 67.74
    ε-caprolactone 612.14
    p-cymene 67.05
    epichlorohydrin 1031.4
    1,1,1-trichloroethane 513.54
    2-aminoethanol 140.65
    morpholine-4-carbaldehyde 952.03
    sulfolane 1565.29
    2,2,4-trimethylpentane 10.44
    2-methyltetrahydrofuran 451.68
    n-hexyl acetate 286.41
    isooctane 8.42
    2-(2-butoxyethoxy)ethanol 382.09
    sec-butyl acetate 123.75
    tert-butyl acetate 257.18
    decalin 24.84
    glycerin 164.21
    diglyme 642.85
    acrylic acid 425.19
    isopropyl myristate 99.62
    n-butyric acid 349.78
    acetyl acetate 382.44
    di(2-ethylhexyl) phthalate 125.67
    ethyl propionate 195.49
    nitromethane 1624.63
    1,2-diethoxyethane 272.61
    benzonitrile 313.41
    trioctyl phosphate 81.45
    1-bromopropane 225.85
    gamma-valerolactone 1160.78
    n-decanol 56.96
    triethyl phosphate 109.06
    4-methyl-2-pentanol 60.13
    propionitrile 218.46
    vinylene carbonate 574.5
    1,1,2-trichlorotrifluoroethane 740.87
    DMS 370.26
    cumene 55.86
    2-octanol 48.54
    2-hexanone 189.03
    octyl acetate 133.74
    limonene 108.02
    1,2-dimethoxyethane 407.39
    ethyl orthosilicate 90.19
    tributyl phosphate 126.36
    diacetone alcohol 329.21
    N,N-dimethylaniline 148.39
    acrylonitrile 405.41
    aniline 176.19
    1,3-propanediol 197.95
    bromobenzene 384.29
    dibromomethane 544.23
    1,1,2,2-tetrachloroethane 1065.25
    2-methyl-cyclohexyl acetate 171.44
    tetrabutyl urea 167.58
    diisobutyl methanol 65.85
    2-phenylethanol 183.45
    styrene 110.4
    dioctyl adipate 186.56
    dimethyl sulfate 381.07
    ethyl butyrate 193.49
    methyl lactate 204.88
    butyl lactate 173.99
    diethyl carbonate 146.86
    propanediol butyl ether 249.11
    triethyl orthoformate 122.78
    p-tert-butyltoluene 65.84
    methyl 4-tert-butylbenzoate 237.01
    morpholine 528.52
    tert-butylamine 93.23
    n-dodecanol 45.5
    dimethoxymethane 376.89
    ethylene carbonate 386.79
    cyrene 243.16
    2-ethoxyethyl acetate 310.3
    2-ethylhexyl acetate 184.87
    1,2,4-trichlorobenzene 495.6
    4-methylpyridine 484.48
    dibutyl ether 125.71
    2,6-dimethyl-4-heptanol 65.85
    DEF 463.26
    dimethyl isosorbide 475.93
    tetrachloroethylene 651.03
    eugenol 263.26
    triacetin 369.78
    span 80 265.6
    1,4-butanediol 78.72
    1,1-dichloroethane 485.57
    2-methyl-1-pentanol 98.33
    methyl formate 445.39
    2-methyl-1-butanol 106.73
    n-decane 12.07
    butyronitrile 221.34
    3,7-dimethyl-1-octanol 106.29
    1-chlorooctane 67.62
    1-chlorotetradecane 29.79
    n-nonane 11.12
    undecane 10.05
    tert-butylcyclohexane 19.24
    cyclooctane 12.32
    cyclopentanol 242.5
    tetrahydropyran 345.85
    tert-amyl methyl ether 115.45
    2,5,8-trioxanonane 478.54
    1-hexene 57.47
    2-isopropoxyethanol 127.29
    2,2,2-trifluoroethanol 252.47
    methyl butyrate 289.41

    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