Propyl nitrite

Overview IFRA Request a quote

  • Identifiers

    CAS number
    543-67-9

    Molecular formula
    C3H7NO2

    SMILES
    CCCON=O

    Safety labels

    Flammable
    Flammable

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 92.48%
    Ethereal 75.79%
    Sweet 63.37%
    Rummy 51.46%
    Winey 44.79%
    Fermented 39.38%
    Apple 37.02%
    Green 36.25%
    Pungent 35.84%
    Sharp 34.76%

     

    Flavor
    Ethereal 37.83%
    Pungent 37.23%
    Fruity 33.15%
    Green 28.44%
    Bitter 27.86%
    Sweet 27.11%
    Rum 25.64%
    Musty 23.46%
    Sharp 22.25%
    Solvent 20.5%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    8.8 (weak base)

    Molecular weight
    89.09 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    44°C

    Flash point

    • -22.73 ˚C est.

  • Synonyms

    • Propyl nitrite
    • n-Propyl nitrite
    • 543-67-9
    • Nitrous acid, propyl ester
    • Propanol nitrite
    • n-Propyl-nitrite
    • Nitrous acid, n-propyl ester
    • CCRIS 1254
    • n-C3H7ONO
    • UNII-ML3G2M13HZ
    • EINECS 208-848-5
    • ML3G2M13HZ
    • BRN 1699926
    • 1-PROPYL NITRITE
    • PROPYL NITRITE, N-
    • PROPYL NITRITE [MI]
    • DTXSID5075282
    • DTXCID2041674
    • AKOS006272060
    • NS00033059
    • G30487
    • EN300-7571492
    • Q27284096
    • 208-848-5

  • Applications

    Propyl nitrite (CAS number: 543-67-9) is used primarily as a reagent in organic synthesis, acting as a nitrosating agent to introduce nitroso groups and as an intermediate in the preparation of related nitrite esters. In industrial manufacturing, it may serve as a specialty solvent or processing aid for certain resins, coatings, inks, and adhesive formulations. It also functions as an intermediate in the production of fine chemicals and pharmaceutical precursors. In fragrance research, related alkyl nitrites are evaluated for odor characteristics, and propyl nitrite may be considered as a component in controlled fragrance formulations under proper regulatory compliance.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 177.65
    methanol 294.34
    isopropanol 117.81
    water 2.97
    ethyl acetate 206.76
    n-propanol 118.13
    acetone 370.22
    n-butanol 112.76
    acetonitrile 289.3
    DMF 779.45
    toluene 78.71
    isobutanol 89.86
    1,4-dioxane 264.9
    methyl acetate 267.84
    THF 281.7
    2-butanone 233.7
    n-pentanol 92.08
    sec-butanol 111.2
    n-hexane 18.78
    ethylene glycol 114.56
    NMP 663.3
    cyclohexane 27.5
    DMSO 748.75
    n-butyl acetate 182.27
    n-octanol 94.44
    chloroform 469.61
    n-propyl acetate 130.93
    acetic acid 589.86
    dichloromethane 483.17
    cyclohexanone 306.18
    propylene glycol 104.12
    isopropyl acetate 116.03
    DMAc 526.85
    2-ethoxyethanol 174.31
    isopentanol 102.08
    n-heptane 14.48
    ethyl formate 195.51
    1,2-dichloroethane 335.04
    n-hexanol 104.59
    2-methoxyethanol 339.14
    isobutyl acetate 67.34
    tetrachloromethane 49.08
    n-pentyl acetate 114.32
    transcutol 979.96
    n-heptanol 55.22
    ethylbenzene 71.46
    MIBK 98.68
    2-propoxyethanol 211.0
    tert-butanol 136.96
    MTBE 110.99
    2-butoxyethanol 134.04
    propionic acid 236.71
    o-xylene 83.66
    formic acid 260.36
    diethyl ether 99.3
    m-xylene 71.12
    p-xylene 89.06
    chlorobenzene 197.79
    dimethyl carbonate 118.92
    n-octane 9.64
    formamide 310.22
    cyclopentanone 361.83
    2-pentanone 169.57
    anisole 159.36
    cyclopentyl methyl ether 126.74
    gamma-butyrolactone 447.52
    1-methoxy-2-propanol 240.67
    pyridine 322.48
    3-pentanone 137.17
    furfural 686.05
    n-dodecane 10.9
    diethylene glycol 233.22
    diisopropyl ether 36.2
    tert-amyl alcohol 128.57
    acetylacetone 314.17
    n-hexadecane 12.07
    acetophenone 205.57
    methyl propionate 182.29
    isopentyl acetate 152.37
    trichloroethylene 765.51
    n-nonanol 81.62
    cyclohexanol 122.7
    benzyl alcohol 137.76
    2-ethylhexanol 79.59
    isooctanol 47.61
    dipropyl ether 67.2
    1,2-dichlorobenzene 247.53
    ethyl lactate 103.28
    propylene carbonate 275.05
    n-methylformamide 363.26
    2-pentanol 81.65
    n-pentane 15.73
    1-propoxy-2-propanol 165.09
    1-methoxy-2-propyl acetate 186.5
    2-(2-methoxypropoxy) propanol 246.73
    mesitylene 52.01
    ε-caprolactone 293.4
    p-cymene 54.96
    epichlorohydrin 431.82
    1,1,1-trichloroethane 238.56
    2-aminoethanol 131.69
    morpholine-4-carbaldehyde 550.42
    sulfolane 581.0
    2,2,4-trimethylpentane 12.25
    2-methyltetrahydrofuran 198.54
    n-hexyl acetate 208.18
    isooctane 9.13
    2-(2-butoxyethoxy)ethanol 321.44
    sec-butyl acetate 77.68
    tert-butyl acetate 135.21
    decalin 22.01
    glycerin 173.24
    diglyme 494.23
    acrylic acid 330.26
    isopropyl myristate 78.09
    n-butyric acid 237.99
    acetyl acetate 202.54
    di(2-ethylhexyl) phthalate 101.97
    ethyl propionate 124.01
    nitromethane 955.56
    1,2-diethoxyethane 207.1
    benzonitrile 261.49
    trioctyl phosphate 65.57
    1-bromopropane 137.54
    gamma-valerolactone 531.86
    n-decanol 64.2
    triethyl phosphate 78.72
    4-methyl-2-pentanol 53.74
    propionitrile 154.41
    vinylene carbonate 343.37
    1,1,2-trichlorotrifluoroethane 437.43
    DMS 231.82
    cumene 54.51
    2-octanol 50.0
    2-hexanone 131.38
    octyl acetate 107.06
    limonene 75.71
    1,2-dimethoxyethane 333.85
    ethyl orthosilicate 65.42
    tributyl phosphate 98.02
    diacetone alcohol 186.64
    N,N-dimethylaniline 127.8
    acrylonitrile 298.26
    aniline 125.38
    1,3-propanediol 165.18
    bromobenzene 201.88
    dibromomethane 284.06
    1,1,2,2-tetrachloroethane 540.32
    2-methyl-cyclohexyl acetate 110.09
    tetrabutyl urea 140.51
    diisobutyl methanol 53.76
    2-phenylethanol 135.33
    styrene 98.06
    dioctyl adipate 134.87
    dimethyl sulfate 231.84
    ethyl butyrate 121.91
    methyl lactate 160.62
    butyl lactate 139.87
    diethyl carbonate 100.67
    propanediol butyl ether 221.54
    triethyl orthoformate 86.23
    p-tert-butyltoluene 52.54
    methyl 4-tert-butylbenzoate 181.48
    morpholine 283.94
    tert-butylamine 82.91
    n-dodecanol 52.23
    dimethoxymethane 241.39
    ethylene carbonate 210.12
    cyrene 171.48
    2-ethoxyethyl acetate 191.02
    2-ethylhexyl acetate 112.1
    1,2,4-trichlorobenzene 285.05
    4-methylpyridine 313.49
    dibutyl ether 107.42
    2,6-dimethyl-4-heptanol 53.76
    DEF 289.86
    dimethyl isosorbide 306.61
    tetrachloroethylene 339.29
    eugenol 226.05
    triacetin 253.23
    span 80 213.45
    1,4-butanediol 83.97
    1,1-dichloroethane 253.0
    2-methyl-1-pentanol 94.45
    methyl formate 315.6
    2-methyl-1-butanol 97.02
    n-decane 15.66
    butyronitrile 151.09
    3,7-dimethyl-1-octanol 101.7
    1-chlorooctane 64.86
    1-chlorotetradecane 30.32
    n-nonane 15.16
    undecane 12.6
    tert-butylcyclohexane 19.02
    cyclooctane 11.45
    cyclopentanol 137.89
    tetrahydropyran 170.71
    tert-amyl methyl ether 99.23
    2,5,8-trioxanonane 393.78
    1-hexene 59.61
    2-isopropoxyethanol 117.25
    2,2,2-trifluoroethanol 196.22
    methyl butyrate 187.39

    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